data_1r05_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 1r05 _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 ' 19' ' ' ILE . . . . . 0.57 HD13 ' CE2' ' B' ' 23' ' ' PHE . 1.2 mm . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 108.699 -0.852 . . . . 2.08 108.699 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' CA ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -27.94 -42.68 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.22 0.533 . . . . 5.15 110.609 179.06 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' ILE . 3.5 t70 -57.38 -67.16 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 118.985 -1.086 . . . . 2.76 108.207 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' PHE . 74.0 p -54.72 -41.55 70.48 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.166 -1.049 . . . . 1.99 108.166 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CD1' HD12 ' B' ' 44' ' ' LEU . 0.9 OUTLIER -44.48 -59.9 2.22 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.585 -0.894 . . . . 2.73 108.585 178.223 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 23' ' ' PHE . 19.3 m170 -41.13 -51.66 3.39 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.811 -0.811 . . . . 2.77 108.811 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -44.19 73.12 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.351 -0.981 . . . . 1.87 108.351 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.18 -38.16 87.38 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.543 -0.723 . . . . 2.37 109.218 178.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' LEU . 2.8 ttt180 -43.63 -40.58 4.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.865 . . . . 2.66 109.276 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -23.88 39.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 2.29 109.504 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -48.42 -56.43 8.23 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.913 -1.143 . . . . 1.84 107.913 178.717 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.403 HG13 ' HG2' ' A' ' 46' ' ' LYS . 13.4 t . . . . . 0 C--N 1.31 -1.115 0 N-CA-C 108.305 -0.998 . . . . 1.85 108.305 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.522 ' HG3' HG13 ' A' ' 43' ' ' ILE . 4.3 pt20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.922 0.391 . . . . 2.84 110.666 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.556 ' CG2' ' HB3' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.41 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.513 -1.275 . . . . 3.42 108.136 178.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.598 ' CD2' ' CD2' ' B' ' 44' ' ' LEU . 23.0 mt -70.05 -43.3 71.52 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.874 -0.787 . . . . 2.14 108.874 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.438 -0.949 . . . . 2.29 108.438 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -80.04 -39.01 30.72 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.642 -0.823 . . . . 3.18 109.569 178.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 44' ' ' LEU . . . -54.66 -40.8 69.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.141 -0.975 . . . . 1.29 109.452 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 44' ' ' LEU . 2.7 m -70.85 -40.03 72.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.351 -0.843 . . . . 2.28 110.002 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -68.29 -35.75 78.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.136 -0.978 . . . . 2.26 109.647 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.539 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 2.9 m-85 -65.02 -71.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 2.82 110.136 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' TYR . 48.3 mt -40.29 -37.72 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.384 -0.823 . . . . 1.41 110.506 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 52' ' ' GLN . 43.6 mm-40 -77.53 -74.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 2.69 110.131 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -55.06 -54.61 40.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 2.53 109.605 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.569 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.8 ttt -45.38 -46.79 13.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.115 -0.991 . . . . 1.4 109.607 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 1.3 tmm_? -63.13 -45.46 91.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.331 -0.856 . . . . 3.11 109.578 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -45.69 68.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.357 -0.84 . . . . 3.1 109.715 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 6.0 mmtp -56.62 -52.86 63.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.358 -0.839 . . . . 2.84 109.903 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -47.46 -58.31 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.298 -0.876 . . . . 2.06 109.977 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -47.09 -64.4 0.79 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.216 -0.927 . . . . 2.74 110.044 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -57.68 -37.76 73.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.173 -0.954 . . . . 1.99 109.94 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.0 mt -59.27 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 1.51 109.838 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.57 ' HA ' ' CD1' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -42.72 -26.82 0.14 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.85 110.127 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -59.54 -45.11 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 2.14 109.57 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.528 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 13.2 p30 -76.53 -17.75 59.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 1.43 109.839 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 62' ' ' GLN . 2.3 mt -80.71 -42.24 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 1.29 108.722 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -38.51 90.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.455 -0.778 . . . . 2.02 109.121 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -46.22 58.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.502 -0.749 . . . . 1.6 109.274 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.528 ' CD1' ' O ' ' A' ' 64' ' ' ASP . 33.9 mt -64.46 -37.2 86.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.826 . . . . 1.26 109.339 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 1.5 tppp? -58.5 -44.11 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.47 -0.769 . . . . 2.8 109.804 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -36.23 80.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.848 . . . . 3.58 109.762 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.517 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 90.9 mt-30 -58.24 -86.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.337 -0.852 . . . . 2.05 109.998 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.511 ' ND2' ' OE1' ' B' ' 71' ' ' GLN . 0.6 OUTLIER -40.58 -27.16 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 1.08 110.388 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -65.61 -54.62 25.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.109 -0.994 . . . . 1.4 109.128 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 4.5 mp -82.57 -24.82 33.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.919 -0.771 . . . . 2.4 108.919 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' B' ' 75' ' ' LEU . 0.2 OUTLIER -64.97 -52.9 53.71 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.542 -0.724 . . . . 1.15 109.457 179.279 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' CD2' ' B' ' 75' ' ' LEU . 4.6 tt0 -68.18 -29.22 68.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.463 -0.773 . . . . 1.65 109.772 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 1.1 tp-100 -66.33 -11.56 51.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.345 -0.847 . . . . 2.38 109.728 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 -38.54 6.08 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.716 -1.216 . . . . 2.21 107.716 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.406 HG23 ' HG2' ' B' ' 78' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.61 0 N-CA-C 108.582 -0.895 . . . . 1.32 108.582 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.587 HD13 ' CE2' ' A' ' 23' ' ' PHE . 1.2 mm . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 108.726 -0.842 . . . . 2.77 108.726 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.556 ' CA ' ' HB2' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -27.96 -42.92 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-O 121.214 0.531 . . . . 3.27 110.564 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 19' ' ' ILE . 3.5 t70 -57.05 -67.17 0.34 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.053 -1.059 . . . . 2.72 108.233 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.428 ' O ' ' C ' ' B' ' 23' ' ' PHE . 65.8 p -54.88 -41.38 70.81 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.203 -1.036 . . . . 2.0 108.203 177.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.592 ' CE1' ' CD1' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -44.67 -59.84 2.29 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.475 -0.935 . . . . 2.5 108.475 178.242 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' B' ' 23' ' ' PHE . 19.4 m170 -41.11 -51.75 3.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.814 -0.81 . . . . 3.07 108.814 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -44.16 72.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.418 -0.956 . . . . 1.91 108.418 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.554 ' HB3' ' CG2' ' B' ' 43' ' ' ILE . 0.2 OUTLIER -66.26 -38.25 87.4 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.486 -0.758 . . . . 2.17 109.193 178.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' B' ' 26' ' ' LEU . 2.8 ttt180 -43.46 -40.62 3.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.819 . . . . 2.85 109.281 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -80.92 -23.88 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.759 . . . . 1.76 109.637 179.107 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -48.33 -56.18 8.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.931 -1.137 . . . . 1.38 107.931 178.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.404 HG22 ' HB3' ' B' ' 46' ' ' LYS . 12.5 t . . . . . 0 C--N 1.303 -1.437 0 N-CA-C 108.358 -0.978 . . . . 1.51 108.358 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . 0.52 ' HG3' HG13 ' B' ' 43' ' ' ILE . 4.3 pt20 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.99 0.424 . . . . 2.48 110.705 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.554 ' CG2' ' HB3' ' B' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.42 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 3.05 108.162 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.598 ' CD2' ' CD2' ' A' ' 44' ' ' LEU . 23.3 mt -70.16 -43.15 71.46 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 2.23 108.863 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -53.18 -47.28 68.97 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.353 -0.98 . . . . 2.49 108.353 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -80.02 -39.05 30.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.668 -0.813 . . . . 2.55 109.623 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' B' ' 44' ' ' LEU . . . -55.05 -40.49 70.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 1.21 109.557 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 44' ' ' LEU . 2.8 m -70.73 -40.06 72.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 2.39 109.812 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.511 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 0.2 OUTLIER -68.39 -35.63 77.97 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.184 -0.947 . . . . 2.27 109.667 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' MET . 3.0 m-85 -65.05 -71.54 0.18 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.311 -0.868 . . . . 2.67 110.137 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 47' ' ' ALA . 49.8 mt -40.27 -37.82 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.361 -0.837 . . . . 1.82 110.421 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' B' ' 52' ' ' GLN . 43.6 mm-40 -77.48 -74.97 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.213 -0.929 . . . . 2.49 110.106 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.571 ' CD2' ' N ' ' B' ' 54' ' ' MET . 0.0 OUTLIER -55.01 -54.65 40.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 2.31 109.601 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.571 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.8 ttt -45.34 -46.75 13.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.116 -0.99 . . . . 1.62 109.596 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 1.2 tmm_? -63.18 -45.31 92.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 3.05 109.545 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -45.77 69.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.342 -0.849 . . . . 3.61 109.691 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.439 ' HB3' HD13 ' B' ' 61' ' ' LEU . 6.0 mmtp -56.59 -52.87 63.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -0.822 . . . . 2.16 109.9 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.411 HG22 ' O ' ' B' ' 54' ' ' MET . 66.9 t -47.46 -58.21 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.256 -0.903 . . . . 1.46 110.015 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . 0.43 ' O ' ' NE2' ' B' ' 63' ' ' GLN . 0.8 OUTLIER -47.25 -64.26 0.83 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.151 -0.968 . . . . 2.39 110.026 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -57.74 -37.83 74.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 1.42 109.869 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.471 ' O ' HG13 ' B' ' 65' ' ' ILE . 8.0 mt -59.13 -78.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.343 -0.848 . . . . 1.66 109.849 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.533 ' HA ' ' CD1' ' B' ' 65' ' ' ILE . 0.7 OUTLIER -42.45 -26.99 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.58 110.062 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' B' ' 59' ' ' HIS . 0.0 OUTLIER -59.49 -45.07 92.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.81 109.643 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.519 ' O ' ' CD1' ' B' ' 68' ' ' LEU . 12.9 p30 -76.53 -17.78 59.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 1.39 109.828 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.558 ' CG1' HD12 ' A' ' 65' ' ' ILE . 1.9 mt -80.71 -42.25 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.232 -0.917 . . . . 1.33 108.746 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.65 91.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.472 -0.768 . . . . 1.77 109.012 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' B' ' 71' ' ' GLN . 0.5 OUTLIER -71.82 -46.24 58.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.525 -0.734 . . . . 1.88 109.327 179.186 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' B' ' 64' ' ' ASP . 35.1 mt -64.54 -37.11 86.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.331 -0.856 . . . . 1.6 109.338 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . 0.514 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 1.5 tppp? -58.49 -44.23 89.3 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.383 -0.823 . . . . 2.71 109.753 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -36.25 80.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.309 -0.87 . . . . 3.19 109.836 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.516 ' HB3' ' CD1' ' B' ' 75' ' ' LEU . 91.2 mt-30 -58.23 -86.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 2.14 109.924 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' B' ' 69' ' ' LYS . 0.5 OUTLIER -39.93 -27.83 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.485 -0.76 . . . . 0.96 110.426 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -65.5 -54.67 24.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.108 -0.995 . . . . 1.23 109.207 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' B' ' 74' ' ' LEU . 4.4 mp -82.57 -24.8 33.8 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.935 -0.765 . . . . 1.91 108.935 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.54 ' CD2' ' HB3' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -64.88 -52.96 53.71 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.473 0.654 . . . . 1.34 109.493 179.231 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.481 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 4.6 tt0 -68.11 -29.18 68.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.443 -0.786 . . . . 1.35 109.751 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 1.1 tp-100 -66.37 -11.52 51.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.324 -0.86 . . . . 2.32 109.727 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.406 ' HG2' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -106.72 -38.51 6.09 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.762 -1.199 . . . . 2.02 107.762 178.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.607 0 N-CA-C 108.558 -0.905 . . . . 1.52 108.558 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.543 HG22 ' CD2' ' B' ' 44' ' ' LEU . 4.4 pt . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 110.7 -0.111 . . . . 2.08 110.7 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 19' ' ' ILE . 1.8 mttm -36.05 -64.72 0.3 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.366 -0.834 . . . . 5.15 109.96 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' LYS . 1.4 t0 -46.41 -45.29 17.84 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 2.76 107.886 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -63.14 -49.44 74.33 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.763 -0.828 . . . . 1.99 108.763 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.637 ' CE1' ' CD2' ' B' ' 44' ' ' LEU . 9.7 m-30 -48.58 -63.23 1.15 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.352 -0.843 . . . . 2.73 109.002 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -42.64 -52.36 4.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.441 -0.787 . . . . 2.77 109.6 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -29.68 68.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.372 -0.83 . . . . 1.87 109.178 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -71.52 -45.6 61.95 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.664 -0.648 . . . . 2.37 109.63 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.541 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.08 -27.03 63.28 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.139 -1.059 . . . . 2.66 108.139 178.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.405 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 34.5 t0 -71.86 -25.6 62.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.765 -0.584 . . . . 2.29 109.658 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -71.0 -36.0 72.29 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.147 -0.97 . . . . 1.84 108.612 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.285 8.2 t . . . . . 0 C--N 1.312 -1.058 0 N-CA-C 108.398 -0.964 . . . . 1.85 108.398 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 112.085 0.402 . . . . 2.84 112.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.631 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -72.73 -49.15 42.44 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.539 0 O-C-N 120.173 -1.579 . . . . 3.42 109.765 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.799 HD11 HD13 ' B' ' 44' ' ' LEU . 10.7 mp -35.82 -43.43 0.3 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.035 -1.041 . . . . 2.14 109.698 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 49' ' ' GLU . 2.1 t0 -62.24 -51.31 68.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.611 -0.885 . . . . 2.29 108.611 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 43' ' ' ILE . 36.0 mmtt -81.16 -52.01 7.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.266 -0.896 . . . . 3.18 110.127 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.631 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -31.01 -56.57 0.23 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.194 0.521 . . . . 1.29 110.901 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.521 ' OG1' ' HA ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -79.98 -52.78 7.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.932 -1.105 . . . . 2.28 110.879 -179.481 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -45.3 -29.79 1.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.86 -1.136 . . . . 2.26 108.833 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.472 ' O ' ' HB2' ' A' ' 54' ' ' MET . 3.3 m-85 -72.79 -47.91 42.61 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.042 -0.725 . . . . 2.82 109.042 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.551 ' CD1' ' HA ' ' B' ' 47' ' ' ALA . 69.1 mt -56.2 -68.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.447 -0.783 . . . . 1.41 109.972 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ILE . 53.4 mt-30 -42.03 -59.45 1.74 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.447 -0.783 . . . . 2.69 110.095 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CD2' ' N ' ' A' ' 54' ' ' MET . 28.5 t80 -56.57 -71.05 0.1 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.889 . . . . 2.53 110.136 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.493 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.6 mtt -46.93 -57.63 4.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 1.4 110.308 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 4.2 tmt_? -43.07 -62.43 1.04 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 3.11 110.033 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -51.85 -32.58 32.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 3.1 109.781 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.33 -0.856 . . . . 2.84 110.009 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 62' ' ' GLN . 65.2 t -44.51 -46.14 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.27 -0.894 . . . . 2.06 110.061 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -55.42 33.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.258 -0.901 . . . . 2.74 110.056 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 6.9 p -63.15 -42.44 99.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.319 -0.863 . . . . 1.99 110.178 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.48 ' O ' HG13 ' A' ' 65' ' ' ILE . 43.7 mt -61.17 -61.08 2.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 1.51 110.18 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.503 ' CA ' HG13 ' A' ' 65' ' ' ILE . 1.1 mt-30 -42.36 -63.12 0.81 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.836 . . . . 1.85 110.391 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' GLN . 72.0 mm-40 -43.4 -36.16 1.84 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.163 -0.961 . . . . 2.14 110.17 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' THR . 12.9 m-20 -73.56 -22.36 60.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 1.43 110.175 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.503 HG13 ' CA ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER -86.4 -36.58 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 1.29 109.482 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.89 -48.93 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 2.02 109.838 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' OE1' ' A' ' 71' ' ' GLN . 22.9 m-20 -65.06 -48.07 75.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 1.6 109.741 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.439 HD12 ' HD3' ' B' ' 69' ' ' LYS . 17.6 mt -62.1 -39.89 94.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.329 -0.857 . . . . 1.26 109.97 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HD3' HD11 ' B' ' 68' ' ' LEU . 1.1 tppp? -61.02 -47.92 84.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 2.8 110.114 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -35.08 78.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.275 -0.891 . . . . 3.58 110.027 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.514 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -61.07 -80.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.341 -0.849 . . . . 2.05 110.221 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.555 ' HB2' ' HB3' ' B' ' 71' ' ' GLN . 0.1 OUTLIER -39.22 -27.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 1.08 110.222 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -62.89 -66.59 0.52 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 1.4 108.925 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 71' ' ' GLN . 1.8 pp -72.39 -23.63 61.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.83 . . . . 2.4 109.083 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.558 ' CD2' ' HB3' ' B' ' 75' ' ' LEU . 0.3 OUTLIER -65.43 -46.91 78.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.413 -0.804 . . . . 1.15 109.544 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.43 -33.91 71.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.391 -0.818 . . . . 1.65 109.892 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 1.7 tp-100 -63.84 -11.38 26.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.914 . . . . 2.38 109.703 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.411 ' HB3' ' CG2' ' B' ' 79' ' ' VAL . 2.7 tp-100 -109.94 -41.09 4.57 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.064 -1.087 . . . . 2.21 108.064 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' B' ' 78' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.3 -1.574 0 N-CA-C 108.81 -0.811 . . . . 1.32 108.81 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.609 ' CG2' HD21 ' A' ' 44' ' ' LEU . 4.8 pt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 110.741 -0.096 . . . . 2.77 110.741 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' B' ' 19' ' ' ILE . 1.8 mttm -36.0 -64.78 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.418 -0.801 . . . . 3.27 110.023 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' B' ' 20' ' ' LYS . 1.4 t0 -46.38 -45.25 17.7 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.941 -1.133 . . . . 2.72 107.941 178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.539 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.5 OUTLIER -63.18 -49.36 74.57 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.746 -0.835 . . . . 2.0 108.746 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.644 ' CE1' ' CD2' ' A' ' 44' ' ' LEU . 9.7 m-30 -48.68 -63.17 1.17 Allowed 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.281 -0.887 . . . . 2.5 109.047 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' B' ' 23' ' ' PHE . 0.6 OUTLIER -42.63 -52.37 4.87 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.777 -0.769 . . . . 3.07 109.636 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -29.61 68.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 1.91 109.14 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.548 ' CD2' HG22 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -71.48 -45.76 61.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.657 -0.652 . . . . 2.17 109.65 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.535 ' N ' HG12 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -57.96 -26.92 62.92 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.127 -1.064 . . . . 2.85 108.127 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' B' ' 27' ' ' ARG . 34.2 t0 -71.97 -26.21 62.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.785 -0.572 . . . . 1.76 109.781 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -70.8 -34.98 72.3 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.38 108.51 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.299 -1.621 0 N-CA-C 109.073 -0.714 . . . . 1.51 109.073 179.376 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 112.012 0.375 . . . . 2.48 112.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.629 ' O ' ' N ' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -72.77 -49.38 40.68 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 120.202 -1.561 . . . . 3.05 109.79 -179.283 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.799 HD13 HD11 ' A' ' 44' ' ' LEU . 10.1 mp -35.52 -43.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.116 -0.99 . . . . 2.23 109.725 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 2.0 t0 -62.19 -51.38 68.06 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.704 -0.85 . . . . 2.49 108.704 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' B' ' 43' ' ' ILE . 36.0 mmtt -81.09 -52.15 7.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.307 -0.871 . . . . 2.55 110.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -31.81 -55.67 0.29 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.81 -0.556 . . . . 1.21 111.36 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.516 HG21 ' N ' ' B' ' 49' ' ' GLU . 0.6 OUTLIER -79.88 -52.99 7.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.986 -1.071 . . . . 2.39 110.496 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.516 ' N ' HG21 ' B' ' 48' ' ' THR . 0.2 OUTLIER -45.33 -29.73 1.11 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.807 -1.183 . . . . 2.27 108.82 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' B' ' 54' ' ' MET . 3.3 m-85 -72.84 -47.93 42.09 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.028 -0.73 . . . . 2.67 109.028 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 69.0 mt -56.15 -68.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 1.82 109.951 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' ILE . 53.3 mt-30 -42.06 -59.43 1.75 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.414 -0.804 . . . . 2.49 110.095 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' N ' ' B' ' 54' ' ' MET . 28.4 t80 -56.63 -71.02 0.1 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.344 -0.848 . . . . 2.31 110.133 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.498 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.6 mtt -46.91 -57.65 4.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.191 -0.943 . . . . 1.62 110.33 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 4.2 tmt_? -43.04 -62.41 1.04 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 3.05 110.06 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm-85 -51.9 -32.48 32.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.927 . . . . 3.61 109.861 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 2.16 110.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' B' ' 62' ' ' GLN . 66.2 t -44.68 -46.08 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 1.46 110.034 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -55.35 34.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.861 . . . . 2.39 110.058 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 64' ' ' ASP . 6.9 p -63.16 -42.49 99.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 1.42 110.143 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.484 ' O ' HG13 ' B' ' 65' ' ' ILE . 44.1 mt -61.16 -61.12 2.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.872 . . . . 1.66 110.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.512 ' CA ' HG13 ' B' ' 65' ' ' ILE . 1.1 mt-30 -42.25 -63.18 0.79 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 1.58 110.383 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' B' ' 62' ' ' GLN . 72.6 mm-40 -43.41 -36.13 1.83 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.167 -0.958 . . . . 1.81 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' B' ' 60' ' ' THR . 12.8 m-20 -73.57 -22.43 60.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.276 -0.89 . . . . 1.39 110.15 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.512 HG13 ' CA ' ' B' ' 62' ' ' GLN . 0.8 OUTLIER -86.37 -36.47 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.301 -0.875 . . . . 1.33 109.517 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.0 -48.86 72.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 1.77 109.803 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.432 ' O ' ' OE1' ' B' ' 71' ' ' GLN . 23.0 m-20 -65.1 -48.09 74.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 1.88 109.781 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.445 HD11 ' HD3' ' A' ' 69' ' ' LYS . 17.6 mt -62.01 -39.91 93.89 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 1.6 109.984 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . 0.514 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 1.1 tppp? -61.08 -48.0 83.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.71 110.036 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . 0.467 ' O ' HD23 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -62.65 -35.08 78.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.231 -0.918 . . . . 3.19 110.053 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -61.18 -79.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.313 -0.867 . . . . 2.14 110.242 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' B' ' 69' ' ' LYS . 5.6 p30 -39.46 -27.58 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.273 -0.892 . . . . 0.96 110.251 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -62.88 -66.66 0.51 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 1.23 108.955 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 71' ' ' GLN . 1.8 pp -72.28 -23.66 61.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.91 109.092 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -65.42 -46.99 77.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.434 -0.791 . . . . 1.34 109.524 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 72' ' ' ASN . 4.9 tt0 -70.36 -33.98 72.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.373 -0.83 . . . . 1.35 109.838 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' B' ' 77' ' ' GLN . 1.7 tp-100 -63.74 -11.45 26.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.32 109.708 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.408 ' HB3' HG23 ' A' ' 79' ' ' VAL . 2.7 tp-100 -109.96 -40.96 4.6 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.068 -1.086 . . . . 2.02 108.068 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 78' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.3 -1.568 0 N-CA-C 108.778 -0.823 . . . . 1.52 108.778 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.643 ' CG2' ' CE1' ' A' ' 23' ' ' PHE . 1.9 mm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.868 -0.419 . . . . 2.08 109.868 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 19' ' ' ILE . 2.2 mtmm -28.93 -40.69 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.243 0.545 . . . . 5.15 111.082 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -57.49 -62.96 1.41 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.82 -1.175 . . . . 2.76 108.205 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 25' ' ' SER . 0.6 OUTLIER -55.64 -44.44 77.14 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.078 -1.082 . . . . 1.99 108.078 178.169 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.643 ' CE1' ' CG2' ' A' ' 19' ' ' ILE . 2.8 m-30 -45.05 -60.99 1.81 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.56 -0.904 . . . . 2.73 108.56 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 54.6 t-80 -40.61 -37.13 0.68 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.429 0.633 . . . . 2.77 109.639 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -62.87 -41.21 99.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 1.87 110.282 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.634 ' CD1' ' HB3' ' B' ' 44' ' ' LEU . 1.9 mp -75.44 -41.25 56.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.037 -1.04 . . . . 2.37 109.76 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -45.99 15.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.538 -0.726 . . . . 2.66 109.848 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -95.93 15.19 21.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 2.29 109.43 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 26' ' ' LEU . 22.8 t -90.91 -52.94 4.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.565 -0.709 . . . . 1.84 109.677 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.615 HG11 ' CE1' ' A' ' 50' ' ' TYR . 88.6 t . . . . . 0 C--N 1.312 -1.061 0 O-C-N 120.925 -1.11 . . . . 1.85 109.946 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.403 ' HA ' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.132 0.492 . . . . 2.84 109.946 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 4.9 mt -63.83 -28.28 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.576 -1.268 . . . . 3.42 107.576 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.629 HD23 ' CE1' ' B' ' 23' ' ' PHE . 1.3 mp -86.93 -45.08 11.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.535 -0.757 . . . . 2.14 110.191 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -43.18 -47.38 6.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 2.29 108.998 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 47' ' ' ALA . 8.0 mmtp -78.4 -56.41 4.47 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.686 -0.857 . . . . 3.18 108.686 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' ' 44' ' ' LEU . . . -35.72 -45.69 0.39 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 1.29 110.487 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.53 ' CG2' ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -70.78 -50.96 30.22 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 2.28 110.561 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 78.6 mt-10 -51.5 -29.79 17.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -0.833 . . . . 2.26 110.107 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.615 ' CE1' HG11 ' A' ' 30' ' ' VAL . 6.0 m-85 -75.22 -44.32 46.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.851 . . . . 2.82 110.582 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG23 ' CG2' ' B' ' 30' ' ' VAL . 78.2 mt -62.44 -75.29 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 1.41 110.543 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ILE . 7.0 pt20 -43.9 -34.48 1.66 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 2.69 110.241 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 8.0 t80 -70.69 -46.01 63.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 2.53 110.054 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -67.74 -53.18 29.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 1.4 110.249 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.39 -43.91 16.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.095 -1.003 . . . . 3.11 109.959 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -55.4 10.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.231 -0.918 . . . . 3.1 110.139 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CG ' HD12 ' A' ' 61' ' ' LEU . 7.5 tttt -58.92 -44.97 91.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.922 . . . . 2.84 110.04 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 54' ' ' MET . 99.4 t -54.08 -51.98 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -0.907 . . . . 2.06 109.977 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.88 -51.48 60.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 2.74 109.875 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 57' ' ' LYS . 3.2 p -62.58 -49.81 73.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.297 -0.877 . . . . 1.99 109.889 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD12 ' CG ' ' A' ' 57' ' ' LYS . 7.8 mt -55.99 -59.92 4.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 1.51 109.83 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 65' ' ' ILE . 45.7 tp60 -43.97 -58.15 2.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 1.85 109.963 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -45.64 -33.06 2.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 2.14 109.721 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -22.17 56.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.831 . . . . 1.43 109.821 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 62' ' ' GLN . 2.5 mt -80.83 -48.24 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 1.29 109.35 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.38 -40.55 96.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 2.02 109.532 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.05 -52.58 64.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.32 -0.863 . . . . 1.6 109.663 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 45.6 mt -60.71 -43.6 97.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 1.26 109.65 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -50.8 14.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 2.8 109.806 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.474 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.08 -38.78 83.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.414 -0.803 . . . . 3.58 110.305 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 74' ' ' LEU . 13.9 mm100 -56.7 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.153 -0.967 . . . . 2.05 110.626 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 71' ' ' GLN . 1.3 t-20 -36.21 -31.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 1.08 110.763 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -75.06 -37.15 61.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 1.4 110.265 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' GLN . 6.3 mp -80.12 -38.88 30.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 2.4 110.958 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' B' ' 75' ' ' LEU . 4.3 mp -63.26 -41.93 99.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.845 -1.159 . . . . 1.15 109.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HB2' ' CD2' ' B' ' 75' ' ' LEU . 9.1 tt0 -66.8 -38.42 86.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.65 110.111 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 69.5 tp60 -70.49 -2.56 14.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 2.38 110.245 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -103.0 -47.44 4.36 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.679 -1.23 . . . . 2.21 107.679 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.605 0 N-CA-C 108.735 -0.839 . . . . 1.32 108.735 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.664 ' CG2' ' CE1' ' B' ' 23' ' ' PHE . 1.9 mm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.876 -0.416 . . . . 2.77 109.876 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' B' ' 19' ' ' ILE . 2.2 mtmm -28.59 -40.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 121.253 0.549 . . . . 3.27 111.1 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -57.47 -63.09 1.35 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.831 -1.168 . . . . 2.72 108.234 178.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.448 ' O ' ' HB2' ' B' ' 25' ' ' SER . 0.6 OUTLIER -55.62 -44.25 76.9 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.155 -1.054 . . . . 2.0 108.155 178.052 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.664 ' CE1' ' CG2' ' B' ' 19' ' ' ILE . 2.7 m-30 -45.19 -60.92 1.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.584 -0.895 . . . . 2.5 108.584 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' PHE . 54.6 t-80 -40.72 -37.06 0.69 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.359 0.6 . . . . 3.07 109.679 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' B' ' 29' ' ' SER . 0.1 OUTLIER -62.85 -41.34 99.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.448 -0.783 . . . . 1.91 110.228 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.564 ' CD1' ' HB3' ' A' ' 44' ' ' LEU . 1.8 mp -75.3 -41.39 57.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.081 -1.012 . . . . 2.17 109.7 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.467 ' HG3' HD13 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -45.95 -45.86 15.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.85 109.871 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -96.13 15.24 21.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 1.76 109.415 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.495 ' CB ' ' HA ' ' B' ' 26' ' ' LEU . 30.4 t -91.08 -52.0 5.05 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.442 -0.786 . . . . 1.38 109.81 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.582 HG11 ' CZ ' ' B' ' 50' ' ' TYR . 91.6 t . . . . . 0 C--N 1.303 -1.449 0 O-C-N 121.144 -0.972 . . . . 1.51 110.197 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.096 0.474 . . . . 2.48 110.006 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.475 ' O ' ' HB1' ' B' ' 47' ' ' ALA . 4.3 mt -63.77 -28.3 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 107.594 -1.261 . . . . 3.05 107.594 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.634 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 1.2 mp -86.96 -44.94 11.24 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.579 -0.737 . . . . 2.23 110.192 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' B' ' 44' ' ' LEU . 0.4 OUTLIER -43.24 -47.53 6.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.397 -0.814 . . . . 2.49 109.012 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' B' ' 47' ' ' ALA . 7.9 mmtp -78.3 -56.05 4.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.819 -0.808 . . . . 2.55 108.819 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' B' ' 44' ' ' LEU . . . -36.99 -44.63 0.52 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.545 -0.722 . . . . 1.21 110.729 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.509 ' OG1' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -70.99 -50.77 30.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.172 -0.955 . . . . 2.39 110.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' B' ' 53' ' ' TYR . 77.5 mt-10 -51.53 -29.78 18.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.27 110.085 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.582 ' CZ ' HG11 ' B' ' 30' ' ' VAL . 5.9 m-85 -75.16 -44.4 46.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 2.67 110.587 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.424 HG21 HG21 ' A' ' 30' ' ' VAL . 77.8 mt -62.36 -75.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.096 -1.002 . . . . 1.82 110.549 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' B' ' 51' ' ' ILE . 7.1 pt20 -43.9 -34.47 1.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 2.49 110.224 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' B' ' 49' ' ' GLU . 7.7 t80 -70.72 -46.03 63.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 2.31 110.013 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' B' ' 50' ' ' TYR . 0.5 OUTLIER -67.75 -53.14 29.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.313 -0.867 . . . . 1.62 110.249 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.48 -43.82 17.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.14 -0.975 . . . . 3.05 109.95 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -55.36 10.78 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 3.61 110.12 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.436 ' CG ' HD12 ' B' ' 61' ' ' LEU . 7.9 tttt -58.85 -45.02 91.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -0.903 . . . . 2.16 110.028 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' B' ' 54' ' ' MET . 99.2 t -54.16 -51.86 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 1.46 109.968 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.96 -51.46 61.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 2.39 109.841 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' B' ' 57' ' ' LYS . 3.3 p -62.56 -49.77 73.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.353 -0.842 . . . . 1.42 109.945 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.46 ' O ' HG13 ' B' ' 65' ' ' ILE . 7.8 mt -56.12 -59.85 4.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 1.66 109.795 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' B' ' 65' ' ' ILE . 47.5 tp60 -43.75 -58.41 2.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 1.58 109.895 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.58 -32.95 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 1.81 109.765 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.402 ' O ' HD12 ' B' ' 68' ' ' LEU . 0.4 OUTLIER -76.23 -22.02 55.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.341 -0.849 . . . . 1.39 109.794 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' B' ' 62' ' ' GLN . 2.4 mt -81.07 -48.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.417 -0.802 . . . . 1.33 109.337 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.37 -40.53 96.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.344 -0.848 . . . . 1.77 109.515 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.02 -52.82 63.75 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 1.88 109.594 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.505 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 45.6 mt -60.55 -43.55 97.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.91 . . . . 1.6 109.696 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . 0.459 ' O ' ' OD1' ' B' ' 72' ' ' ASN . 0.0 OUTLIER -45.98 -50.84 14.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 2.71 109.857 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . 0.468 ' O ' HD11 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.16 -38.62 83.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.413 -0.804 . . . . 3.19 110.353 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' B' ' 74' ' ' LEU . 13.9 mm100 -56.86 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.146 -0.971 . . . . 2.14 110.691 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' B' ' 68' ' ' LEU . 2.6 p30 -37.67 -29.99 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.394 -0.816 . . . . 0.96 110.793 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -75.39 -37.17 60.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 1.23 110.087 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 71' ' ' GLN . 6.2 mp -80.21 -38.83 30.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 1.91 110.913 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 4.5 mp -63.39 -41.82 98.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.786 -1.196 . . . . 1.34 109.796 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 9.4 tt0 -66.82 -38.21 86.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 1.35 110.12 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' B' ' 77' ' ' GLN . 69.4 tp60 -70.73 -2.45 14.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.284 -0.885 . . . . 2.32 110.202 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -103.07 -47.45 4.34 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.721 -1.215 . . . . 2.02 107.721 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.298 -1.648 0 N-CA-C 108.646 -0.872 . . . . 1.52 108.646 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.549 ' O ' ' C ' ' A' ' 20' ' ' LYS . 3.3 pt . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 109.694 -0.484 . . . . 2.08 109.694 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -27.77 -52.88 0.08 Allowed 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.546 -0.721 . . . . 5.15 110.311 179.019 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.3 m-20 -55.18 -60.28 3.6 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.827 -1.175 . . . . 2.76 107.827 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ILE . 1.5 t -57.06 -47.02 81.99 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.159 -1.052 . . . . 1.99 108.159 177.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.498 ' HB2' ' CA ' ' A' ' 20' ' ' LYS . 1.2 m-85 -43.99 -56.64 3.82 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.646 -0.872 . . . . 2.73 108.646 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' A' ' 21' ' ' ASP . 3.9 t-80 -42.61 -47.48 5.24 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.694 -0.802 . . . . 2.77 108.901 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -63.14 -49.54 73.98 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.332 -0.947 . . . . 1.87 108.508 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' HB3' ' CB ' ' A' ' 43' ' ' ILE . 0.4 OUTLIER -54.05 -37.79 64.53 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.399 -0.963 . . . . 2.37 108.399 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -53.2 -32.98 50.79 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.089 -1.078 . . . . 2.66 108.089 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 25' ' ' SER . 36.4 t70 -67.65 -26.1 66.05 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.901 -0.777 . . . . 2.29 108.901 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 49.4 m -66.25 -76.18 0.08 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.517 -0.92 . . . . 1.84 108.517 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.312 -1.062 0 O-C-N 120.932 -1.105 . . . . 1.85 108.808 179.389 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.525 0.678 . . . . 2.84 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.1 mp -72.79 -21.06 19.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 C-N-CA 118.878 -1.129 . . . . 3.42 109.986 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.649 ' CD2' ' CD2' ' B' ' 44' ' ' LEU . 3.6 mt -61.72 -52.9 62.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.513 -1.367 . . . . 2.14 107.973 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -50.17 -55.1 16.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.17 -0.956 . . . . 2.29 108.576 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.522 ' CE ' ' OE2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -64.09 -63.61 1.11 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.285 -0.884 . . . . 3.18 109.429 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -33.75 -55.65 0.46 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.937 -0.477 . . . . 1.29 111.204 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.51 ' OG1' ' HG ' ' B' ' 26' ' ' LEU . 1.2 m -55.14 -53.0 61.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.12 -0.987 . . . . 2.28 110.857 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.548 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -63.22 -24.53 67.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.118 -0.989 . . . . 2.26 110.552 -179.217 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.548 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 1.9 m-30 -78.55 -51.1 10.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.132 -0.98 . . . . 2.82 110.403 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' B' ' 47' ' ' ALA . 23.6 mt -52.43 -56.29 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 1.41 110.444 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -65.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.177 -0.952 . . . . 2.69 110.344 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.473 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -46.9 -63.25 1.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 2.53 110.272 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.467 ' CB ' ' SD ' ' B' ' 54' ' ' MET . 40.7 mtt -45.79 -72.61 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 1.4 111.191 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' MET . 1.6 ttp180 -39.49 -49.16 2.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.319 -0.863 . . . . 3.11 110.971 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 3.1 110.472 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -51.14 -45.52 61.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 2.84 110.521 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 30.2 t -40.82 -59.94 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 2.06 110.611 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.56 -60.39 3.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 2.74 110.584 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.2 m -52.65 -51.44 60.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 1.99 110.566 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 57' ' ' LYS . 12.0 mt -49.56 -65.93 0.48 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 1.51 110.757 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.502 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.37 2.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.322 -0.861 . . . . 1.85 110.662 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.03 -39.2 1.85 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -0.938 . . . . 2.14 110.35 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -28.48 62.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 1.43 110.033 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.502 HG13 ' HA ' ' A' ' 62' ' ' GLN . 1.8 mt -74.16 -32.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.327 -0.858 . . . . 1.29 109.503 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -54.88 11.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 2.02 110.034 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -52.62 -35.06 53.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -0.9 . . . . 1.6 110.15 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 1.6 mm? -68.19 -68.9 0.36 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 1.26 110.94 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.551 ' HA ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -40.77 -31.06 0.14 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.747 . . . . 2.8 110.214 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.524 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.54 -47.94 62.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.271 -0.893 . . . . 3.58 110.164 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 73' ' ' ALA . 88.6 mm-40 -60.48 -76.05 0.05 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.317 -0.864 . . . . 2.05 110.672 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.551 ' ND2' ' HA ' ' A' ' 69' ' ' LYS . 1.2 p30 -39.14 -26.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.29 -0.881 . . . . 1.08 110.645 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -73.61 -48.01 35.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.94 -1.1 . . . . 1.4 109.118 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.524 ' CD1' ' O ' ' A' ' 70' ' ' ARG . 1.2 mt -73.48 -36.16 65.77 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.747 . . . . 2.4 109.296 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.567 ' HB3' ' HB3' ' B' ' 75' ' ' LEU . 0.4 OUTLIER -57.87 -54.28 48.71 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.426 -0.796 . . . . 1.15 109.36 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 3.6 mt-10 -52.69 -46.24 67.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.491 -0.756 . . . . 1.65 110.074 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -19.35 3.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 2.38 109.99 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -106.13 -43.28 4.86 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.191 -1.04 . . . . 2.21 108.191 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.523 HG23 ' CG2' ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.59 0 CA-C-N 115.833 -0.621 . . . . 1.32 109.627 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.56 ' O ' ' C ' ' B' ' 20' ' ' LYS . 3.3 pt . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.667 -0.494 . . . . 2.77 109.667 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 19' ' ' ILE . 0.8 OUTLIER -27.76 -52.77 0.08 Allowed 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.548 -0.72 . . . . 3.27 110.355 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 6.4 m-20 -55.3 -60.25 3.66 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.836 -1.172 . . . . 2.72 107.836 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' B' ' 19' ' ' ILE . 1.5 t -57.01 -47.1 81.68 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.124 -1.065 . . . . 2.0 108.124 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.491 ' HB2' ' CA ' ' B' ' 20' ' ' LYS . 1.1 m-85 -43.96 -56.69 3.77 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.618 -0.882 . . . . 2.5 108.618 178.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' B' ' 21' ' ' ASP . 3.9 t-80 -42.64 -47.45 5.29 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.714 -0.795 . . . . 3.07 108.887 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' B' ' 28' ' ' ASP . 0.1 OUTLIER -63.07 -49.62 73.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.487 -0.931 . . . . 1.91 108.487 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' CB ' ' B' ' 43' ' ' ILE . 0.4 OUTLIER -53.99 -37.85 64.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.375 -0.972 . . . . 2.17 108.375 178.43 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -53.24 -32.92 50.71 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.137 -1.06 . . . . 2.85 108.137 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' B' ' 25' ' ' SER . 36.4 t70 -67.66 -26.46 66.22 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 108.921 -0.77 . . . . 1.76 108.921 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' B' ' 26' ' ' LEU . 49.7 m -66.0 -74.78 0.1 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.599 -0.841 . . . . 1.38 108.794 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.452 HG22 ' HG2' ' B' ' 46' ' ' LYS . 1.4 t . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 1.51 109.114 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 121.456 0.646 . . . . 2.48 110.343 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.57 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 1.0 OUTLIER -72.91 -20.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 C-N-CA 118.905 -1.118 . . . . 3.05 109.981 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.649 ' CD2' ' CD2' ' A' ' 44' ' ' LEU . 3.5 mt -61.77 -52.88 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.492 -1.38 . . . . 2.23 107.987 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -50.23 -55.13 16.58 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.149 -0.969 . . . . 2.49 108.548 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.52 ' CE ' ' OE2' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -63.97 -63.75 1.07 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.521 -0.871 . . . . 2.55 109.482 178.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -34.23 -55.06 0.51 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.845 -0.535 . . . . 1.21 111.434 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' B' ' 44' ' ' LEU . 1.2 m -55.08 -53.08 60.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.048 -1.032 . . . . 2.39 110.713 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.544 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 0.1 OUTLIER -63.16 -24.57 67.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 2.27 110.583 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.544 ' N ' ' HG3' ' B' ' 49' ' ' GLU . 1.9 m-30 -78.52 -51.18 10.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.126 -0.984 . . . . 2.67 110.422 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 24.0 mt -52.43 -56.24 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 1.82 110.397 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -65.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 2.49 110.341 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -46.92 -63.12 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 2.31 110.25 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.467 ' SD ' ' CB ' ' A' ' 54' ' ' MET . 40.8 mtt -45.84 -72.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 1.62 111.174 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' B' ' 54' ' ' MET . 1.5 ttp180 -39.37 -49.22 1.99 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.263 -0.898 . . . . 3.05 110.939 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.35 -73.21 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 3.61 110.502 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -51.15 -45.58 61.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 2.16 110.57 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' B' ' 57' ' ' LYS . 29.2 t -40.76 -60.04 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.29 -0.881 . . . . 1.46 110.583 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.48 -60.37 3.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.918 . . . . 2.39 110.629 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 94.1 m -52.78 -51.36 60.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.181 -0.95 . . . . 1.42 110.552 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' B' ' 57' ' ' LYS . 12.0 mt -49.6 -65.94 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.232 -0.918 . . . . 1.66 110.686 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.497 ' HA ' HG13 ' B' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.33 2.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.325 -0.859 . . . . 1.58 110.626 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' B' ' 62' ' ' GLN . 0.0 OUTLIER -41.95 -39.37 1.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 1.81 110.398 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -28.48 62.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 1.39 110.066 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.497 HG13 ' HA ' ' B' ' 62' ' ' GLN . 1.9 mt -74.19 -32.67 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.31 -0.869 . . . . 1.33 109.497 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -54.93 11.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 1.77 110.012 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -52.55 -35.14 53.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 1.88 110.157 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 68' ' ' LEU . 1.7 mm? -68.18 -69.01 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.242 -0.911 . . . . 1.6 110.952 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . 0.521 ' N ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.67 -30.72 0.13 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.439 -0.788 . . . . 2.71 110.317 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -69.92 -47.93 60.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 3.19 110.092 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' B' ' 73' ' ' ALA . 88.8 mm-40 -60.4 -75.88 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 2.14 110.696 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.493 ' N ' HD11 ' B' ' 75' ' ' LEU . 9.3 p-10 -38.77 -27.12 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.281 -0.887 . . . . 0.96 110.706 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -73.59 -47.96 36.37 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 1.23 109.155 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 1.2 mt -73.59 -36.04 65.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.531 -0.731 . . . . 1.91 109.316 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.567 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -57.93 -54.12 50.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.404 -0.81 . . . . 1.34 109.356 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.46 ' HA ' ' HB ' ' B' ' 79' ' ' VAL . 3.5 mt-10 -52.91 -46.25 67.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 1.35 109.982 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -19.29 3.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.197 -0.939 . . . . 2.32 110.001 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -106.17 -43.33 4.84 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.155 -1.054 . . . . 2.02 108.155 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.523 ' CG2' HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.3 -1.576 0 CA-C-N 115.81 -0.632 . . . . 1.52 109.649 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.625 ' CD1' HD12 ' B' ' 44' ' ' LEU . 31.4 mm . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 108.78 -0.822 . . . . 2.08 108.78 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 19.0 mttp -32.69 -44.47 0.11 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.579 -0.701 . . . . 5.15 110.459 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.99 -57.12 14.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.829 -1.169 . . . . 2.76 108.132 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' LEU . 39.8 m -59.98 -38.32 82.22 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.188 -1.042 . . . . 1.99 108.188 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.641 ' CE1' HD13 ' B' ' 44' ' ' LEU . 0.9 OUTLIER -50.84 -61.97 1.89 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.306 -0.998 . . . . 2.73 108.306 178.457 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -44.17 -44.14 7.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.322 -0.951 . . . . 2.77 108.948 179.038 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -70.01 -31.97 69.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.782 . . . . 1.87 108.911 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' C ' HG12 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -77.55 -52.04 9.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.562 -0.711 . . . . 2.37 109.682 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.555 ' N ' HG12 ' A' ' 43' ' ' ILE . 4.6 ttm180 -51.48 -39.39 57.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 2.66 109.057 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -77.53 -2.43 35.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.535 -0.728 . . . . 2.29 109.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -88.02 -41.07 13.36 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.353 -0.842 . . . . 1.84 111.566 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' A' ' 46' ' ' LYS . 92.6 t . . . . . 0 N--CA 1.488 1.472 0 O-C-N 120.362 -1.461 . . . . 1.85 111.109 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.291 0.567 . . . . 2.84 112.451 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.555 HG12 ' N ' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -75.55 -55.18 12.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.059 -1.651 . . . . 3.42 108.561 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.686 HD13 ' CE1' ' B' ' 23' ' ' PHE . 5.3 mt -31.56 -38.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.203 0.525 . . . . 2.14 110.296 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.6 t0 -66.82 -59.04 3.89 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.546 -1.279 . . . . 2.29 107.546 177.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.2 mmtt -68.29 -39.71 82.0 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 119.381 -0.928 . . . . 3.18 110.078 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 51' ' ' ILE . . . -52.69 -67.32 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.026 -1.046 . . . . 1.29 110.457 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.523 ' OG1' ' HG ' ' B' ' 26' ' ' LEU . 1.3 m -43.99 -55.19 4.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.064 -1.023 . . . . 2.28 110.659 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.53 71.81 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 118.542 -1.263 . . . . 2.26 110.053 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.545 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 m-85 -66.84 -48.73 67.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 2.82 110.932 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 10.6 mt -50.87 -34.46 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.047 -1.033 . . . . 1.41 110.617 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' TYR . 21.8 mm-40 -89.04 -65.12 1.05 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 2.69 110.337 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.49 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -41.08 -34.03 0.4 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.277 -0.889 . . . . 2.53 110.194 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.458 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 3.7 mmt -81.42 -53.06 6.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.107 -0.996 . . . . 1.4 110.449 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -49.2 -45.92 44.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 3.11 110.175 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.6 -41.24 75.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 3.1 110.168 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.75 -56.53 18.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 2.84 110.07 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.29 -32.46 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 2.06 110.145 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -63.29 -67.56 0.41 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 2.74 110.018 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.4 m -63.11 -27.0 69.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -0.919 . . . . 1.99 110.018 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 64' ' ' ASP . 19.8 mt -69.41 -72.28 0.19 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 1.51 109.934 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.517 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.8 OUTLIER -40.42 -50.61 2.87 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.546 -0.721 . . . . 1.85 110.118 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -32.6 27.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.276 -0.89 . . . . 2.14 109.773 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.2 m-20 -82.72 -21.4 34.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 1.43 109.966 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.541 ' CG1' HD11 ' B' ' 65' ' ' ILE . 2.5 mt -76.46 -38.79 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 1.29 109.16 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -42.92 68.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.825 . . . . 2.02 109.275 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 12.4 t0 -56.91 -43.7 81.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.367 -0.833 . . . . 1.6 109.509 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.527 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 62.2 mt -68.97 -48.46 63.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 1.26 109.586 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.47 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 10.1 ttmt -48.77 -49.72 37.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.8 109.631 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -59.34 -46.95 87.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.281 -0.887 . . . . 3.58 109.778 179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.52 ' C ' ' CD1' ' A' ' 75' ' ' LEU . 73.2 mt-30 -47.56 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 2.05 110.754 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 68' ' ' LEU . 2.6 p30 -38.6 -26.79 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.201 -0.937 . . . . 1.08 110.967 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -66.57 -35.67 80.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.877 -1.139 . . . . 1.4 109.507 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' A' ' 70' ' ' ARG . 6.1 mp -85.84 -47.48 9.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.451 -0.78 . . . . 2.4 110.559 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.59 ' CB ' ' CB ' ' B' ' 75' ' ' LEU . 3.1 mp -61.54 -24.44 66.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.991 -1.068 . . . . 1.15 109.572 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.514 ' N ' HD21 ' B' ' 75' ' ' LEU . 1.6 tp10 -80.82 -48.91 11.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 1.65 110.362 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.426 ' HG2' ' HA ' ' A' ' 74' ' ' LEU . 11.3 pt20 -67.28 -6.85 20.25 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.189 -0.944 . . . . 2.38 110.253 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -105.25 -42.5 5.25 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.037 -1.097 . . . . 2.21 108.037 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.622 0 N-CA-C 109.203 -0.666 . . . . 1.32 109.203 178.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.607 ' CD1' HD12 ' A' ' 44' ' ' LEU . 32.0 mm . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 108.871 -0.789 . . . . 2.77 108.871 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' B' ' 19' ' ' ILE . 18.8 mttp -32.8 -44.59 0.11 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.619 -0.675 . . . . 3.27 110.475 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.86 -57.23 13.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.871 -1.143 . . . . 2.72 108.142 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.472 ' O ' ' N ' ' B' ' 26' ' ' LEU . 40.0 m -59.92 -38.13 81.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.208 -1.034 . . . . 2.0 108.208 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.686 ' CE1' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -51.03 -61.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.314 -0.995 . . . . 2.5 108.314 178.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -44.25 -44.13 7.76 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.339 -0.944 . . . . 3.07 109.0 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -69.94 -32.02 70.07 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.864 -0.791 . . . . 1.91 108.864 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.559 ' CD2' HG21 ' B' ' 43' ' ' ILE . 0.5 OUTLIER -77.36 -53.0 8.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 2.17 109.642 179.295 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.557 ' N ' HG12 ' B' ' 43' ' ' ILE . 4.5 ttm180 -50.66 -39.55 51.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.17 -0.956 . . . . 2.85 109.14 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.54 -2.28 34.79 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.54 -0.725 . . . . 1.76 109.538 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -87.85 -42.29 12.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.323 -0.861 . . . . 1.38 111.341 -179.321 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' B' ' 46' ' ' LYS . 92.9 t . . . . . 0 N--CA 1.49 1.552 0 O-C-N 120.454 -1.404 . . . . 1.51 111.346 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.302 0.573 . . . . 2.48 112.438 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.559 HG21 ' CD2' ' B' ' 26' ' ' LEU . 0.9 OUTLIER -75.67 -55.08 12.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 120.024 -1.673 . . . . 3.05 108.588 -179.65 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.641 HD13 ' CE1' ' A' ' 23' ' ' PHE . 5.4 mt -31.55 -38.33 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.209 0.528 . . . . 2.23 110.341 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 43' ' ' ILE . 5.6 t0 -66.92 -59.09 3.81 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.492 -1.299 . . . . 2.49 107.492 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' B' ' 43' ' ' ILE . 2.3 mmtt -68.08 -39.62 82.86 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 119.33 -0.948 . . . . 2.55 110.174 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.467 ' O ' HG13 ' B' ' 51' ' ' ILE . . . -53.43 -66.94 0.3 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.09 . . . . 1.21 110.59 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' B' ' 44' ' ' LEU . 1.3 m -43.84 -55.14 4.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.057 -1.027 . . . . 2.39 110.548 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.45 71.68 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.584 -1.246 . . . . 2.27 109.992 -179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.536 ' N ' ' HG3' ' B' ' 49' ' ' GLU . 1.3 m-85 -67.02 -48.6 67.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.995 . . . . 2.67 111.0 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' B' ' 55' ' ' ARG . 10.6 mt -50.84 -34.61 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.054 -1.029 . . . . 1.82 110.57 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' B' ' 53' ' ' TYR . 22.0 mm-40 -88.92 -65.0 1.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.07 -1.019 . . . . 2.49 110.451 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.49 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -41.27 -33.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.341 -0.849 . . . . 2.31 110.18 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.458 ' SD ' ' HB3' ' A' ' 54' ' ' MET . 3.7 mmt -81.4 -53.13 6.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 1.62 110.448 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -49.15 -45.95 44.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.117 -0.99 . . . . 3.05 110.125 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -69.58 -41.3 75.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.296 -0.878 . . . . 3.61 110.099 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.0 OUTLIER -61.72 -56.49 19.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 2.16 110.077 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.27 -32.59 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 1.46 110.155 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.18 -67.52 0.42 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 2.39 110.063 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 91.6 m -63.21 -27.01 69.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 1.42 109.974 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' B' ' 64' ' ' ASP . 19.9 mt -69.39 -72.16 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.913 . . . . 1.66 109.943 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.519 ' CA ' HG13 ' B' ' 65' ' ' ILE . 0.8 OUTLIER -40.55 -50.55 2.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.522 -0.736 . . . . 1.58 110.103 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -32.52 28.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.863 . . . . 1.81 109.767 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 61' ' ' LEU . 1.2 m-20 -82.69 -21.4 34.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.39 109.919 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.541 HD11 ' CG1' ' A' ' 65' ' ' ILE . 2.6 mt -76.53 -38.7 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 1.33 109.152 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -43.02 68.29 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.387 -0.821 . . . . 1.77 109.274 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' B' ' 71' ' ' GLN . 12.6 t0 -56.77 -43.76 81.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.371 -0.831 . . . . 1.88 109.463 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 68' ' ' LEU . 63.9 mt -69.04 -48.31 63.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 1.6 109.605 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -48.86 -49.86 37.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 2.71 109.607 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . 0.539 ' O ' ' CD1' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -59.05 -47.27 85.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 3.19 109.82 179.545 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.526 ' C ' ' CD1' ' B' ' 75' ' ' LEU . 73.0 mt-30 -47.27 -81.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 2.14 110.675 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -36.7 -29.3 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.96 110.734 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -66.38 -35.67 80.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.085 -1.009 . . . . 1.23 109.727 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 6.1 mp -85.83 -47.6 9.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 1.91 110.558 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.59 ' CB ' ' CB ' ' A' ' 75' ' ' LEU . 3.1 mp -61.34 -24.54 66.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.012 -1.055 . . . . 1.34 109.576 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 1.6 tp10 -80.8 -48.82 11.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.816 . . . . 1.35 110.436 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' B' ' 74' ' ' LEU . 11.3 pt20 -67.39 -6.78 20.6 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.157 -0.964 . . . . 2.32 110.216 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -105.27 -42.56 5.23 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.952 -1.129 . . . . 2.02 107.952 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' B' ' 75' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.298 -1.642 0 N-CA-C 109.168 -0.678 . . . . 1.52 109.168 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.536 ' HB ' ' CD2' ' B' ' 44' ' ' LEU . 10.1 pt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.887 -0.412 . . . . 2.08 109.887 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 23.9 mtpt -40.9 -59.37 1.45 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.206 -0.934 . . . . 5.15 109.626 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' LYS . 84.3 m-20 -45.0 -46.21 11.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.46 -0.941 . . . . 2.76 108.46 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' B' ' 44' ' ' LEU . 1.0 OUTLIER -70.97 -47.68 57.61 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.955 -0.698 . . . . 1.99 109.286 178.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.677 ' CE1' ' CD2' ' B' ' 44' ' ' LEU . 4.9 m-30 -43.86 -67.56 0.27 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.667 -0.864 . . . . 2.73 108.667 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' PHE . 64.4 m80 -40.41 -53.99 2.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.592 -0.692 . . . . 2.77 109.947 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -37.89 86.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 1.87 109.307 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.583 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -69.51 -51.21 37.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.531 -0.731 . . . . 2.37 109.535 179.476 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -50.52 -36.83 35.91 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.52 -0.918 . . . . 2.66 108.52 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.73 65.78 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.6 -0.889 . . . . 2.29 108.6 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' LEU . 12.3 m -63.93 -61.71 2.11 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.823 -0.806 . . . . 1.84 108.823 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.531 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 7.9 t . . . . . 0 N--CA 1.487 1.409 0 C-N-CA 119.028 -1.069 . . . . 1.85 109.584 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.178 0.513 . . . . 2.84 111.715 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.583 ' CG2' ' HB3' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -79.07 -20.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.63 -1.294 . . . . 3.42 108.827 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.68 ' CD2' ' CE1' ' B' ' 23' ' ' PHE . 5.9 mp -68.63 -47.45 66.58 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.209 -0.996 . . . . 2.14 108.656 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -48.87 64.36 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.584 -0.895 . . . . 2.29 108.584 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.54 ' CE ' HG21 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -75.31 -40.64 58.28 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.405 -0.918 . . . . 3.18 109.531 178.793 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' B' ' 47' ' ' ALA . . . -49.94 -48.34 51.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.502 -0.748 . . . . 1.29 109.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.523 ' OG1' ' CD1' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -65.26 -44.53 87.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.384 -0.823 . . . . 2.28 110.094 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 53' ' ' TYR . 37.6 mm-40 -61.87 -56.8 15.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 2.26 110.135 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.481 ' O ' ' HB2' ' A' ' 54' ' ' MET . 2.8 m-30 -52.28 -64.84 0.69 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.114 -0.991 . . . . 2.82 109.838 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 64.0 mt -41.65 -41.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.41 110.418 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 48' ' ' THR . 2.9 tt0 -80.1 -73.38 0.36 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.037 -1.039 . . . . 2.69 110.304 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -44.58 -46.17 9.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 2.53 110.02 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -66.7 -55.65 14.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 1.4 110.393 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 1.3 ttp180 -41.16 -71.23 0.09 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.217 -0.927 . . . . 3.11 110.58 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -50.56 -28.83 9.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 3.1 110.453 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -71.39 -38.85 71.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 2.84 110.24 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.58 -46.75 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.952 . . . . 2.06 110.143 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -56.74 -60.86 2.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 2.74 110.245 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' LEU . 97.6 m -51.83 -61.12 2.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.181 -0.949 . . . . 1.99 110.173 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.1 mt -42.72 -46.96 5.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.268 -0.895 . . . . 1.51 110.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HA ' HG13 ' A' ' 65' ' ' ILE . 5.1 tm0? -57.49 -48.71 78.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 1.85 110.472 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -35.28 28.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.125 -0.985 . . . . 2.14 110.211 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.462 ' O ' HD11 ' A' ' 68' ' ' LEU . 29.6 t0 -72.46 -22.02 61.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 1.43 110.176 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.529 HD11 ' CG1' ' B' ' 65' ' ' ILE . 1.0 OUTLIER -83.56 -47.08 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.223 -0.923 . . . . 1.29 109.597 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -44.92 82.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -0.887 . . . . 2.02 109.797 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -63.15 -55.66 23.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.339 -0.85 . . . . 1.6 109.928 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 97.8 mt -60.26 -44.49 95.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.238 -0.913 . . . . 1.26 110.324 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 24.7 ttmt -48.89 -54.25 16.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.937 . . . . 2.8 110.501 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -40.29 90.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.201 -0.937 . . . . 3.58 110.338 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 40.3 mm-40 -50.55 -81.45 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.294 -0.879 . . . . 2.05 110.537 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -42.22 -26.78 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 1.08 110.306 -179.688 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -59.91 -64.49 0.93 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.022 . . . . 1.4 109.606 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 71' ' ' GLN . 0.8 OUTLIER -77.55 -25.96 50.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 2.4 109.545 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.546 ' CD1' ' HB3' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -60.17 -47.8 84.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.372 -0.83 . . . . 1.15 109.738 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.437 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 52.3 tt0 -72.66 -33.36 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 1.65 109.875 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -58.83 -14.72 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.365 -0.834 . . . . 2.38 109.975 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -106.61 -36.7 6.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.862 -1.162 . . . . 2.21 107.862 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.437 ' HB ' ' HA ' ' A' ' 76' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.598 0 N-CA-C 108.754 -0.832 . . . . 1.32 108.754 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.595 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 10.8 pt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 109.959 -0.385 . . . . 2.77 109.959 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.8 mtpt -41.14 -59.51 1.48 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.943 . . . . 3.27 109.586 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' B' ' 20' ' ' LYS . 84.2 m-20 -44.75 -46.41 10.47 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.427 -0.953 . . . . 2.72 108.427 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 44' ' ' LEU . 1.2 t -70.69 -47.68 58.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.594 -0.691 . . . . 2.0 109.301 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.68 ' CE1' ' CD2' ' A' ' 44' ' ' LEU . 4.9 m-30 -44.09 -67.44 0.28 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.739 -0.837 . . . . 2.5 108.739 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' B' ' 23' ' ' PHE . 64.7 m80 -40.44 -54.29 2.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.63 -0.669 . . . . 3.07 109.833 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -37.79 85.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.161 -0.962 . . . . 1.91 109.391 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.581 ' HB3' ' CG2' ' B' ' 43' ' ' ILE . 0.1 OUTLIER -69.6 -51.19 37.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 2.17 109.575 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.55 -36.79 36.03 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.251 -0.905 . . . . 2.85 108.562 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.6 65.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.66 -0.867 . . . . 1.76 108.66 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 26' ' ' LEU . 11.4 m -63.87 -62.74 1.45 Allowed 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.675 -0.861 . . . . 1.38 108.675 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.523 HG23 ' NZ ' ' B' ' 46' ' ' LYS . 8.4 t . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 119.157 -1.017 . . . . 1.51 109.789 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.212 0.529 . . . . 2.48 111.707 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.581 ' CG2' ' HB3' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -79.06 -20.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.697 -1.252 . . . . 3.05 108.921 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.677 ' CD2' ' CE1' ' A' ' 23' ' ' PHE . 5.7 mp -68.9 -47.68 65.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.063 -1.023 . . . . 2.23 108.555 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -48.79 63.73 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.623 -0.881 . . . . 2.49 108.623 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.54 ' CE ' HG21 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -75.47 -40.55 57.23 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.39 -0.924 . . . . 2.55 109.598 178.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 47' ' ' ALA . . . -50.5 -47.68 57.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.387 -0.82 . . . . 1.21 109.773 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.491 ' OG1' ' HG ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -65.48 -44.2 87.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.432 -0.792 . . . . 2.39 110.003 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' B' ' 53' ' ' TYR . 37.6 mm-40 -62.09 -56.69 16.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.259 -0.901 . . . . 2.27 110.083 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' B' ' 54' ' ' MET . 2.7 m-30 -52.45 -64.68 0.74 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.121 -0.987 . . . . 2.67 109.827 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.512 ' O ' ' CB ' ' B' ' 55' ' ' ARG . 62.7 mt -41.92 -41.7 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.885 . . . . 1.82 110.467 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 48' ' ' THR . 2.9 tt0 -80.29 -73.07 0.38 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.054 -1.029 . . . . 2.49 110.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -44.71 -46.27 10.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.304 -0.873 . . . . 2.31 109.971 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.465 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.3 OUTLIER -66.71 -55.27 15.85 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 1.62 110.474 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' B' ' 51' ' ' ILE . 1.3 ttp180 -41.56 -71.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.294 -0.879 . . . . 3.05 110.612 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -50.61 -28.85 9.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 3.61 110.357 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' B' ' 54' ' ' MET . 0.1 OUTLIER -71.2 -39.11 71.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.176 -0.953 . . . . 2.16 110.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.42 -46.73 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 1.46 110.141 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -56.78 -60.6 3.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 2.39 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 61' ' ' LEU . 98.0 m -52.14 -61.02 2.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 1.42 110.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.456 ' O ' HG13 ' B' ' 65' ' ' ILE . 7.1 mt -42.71 -46.93 5.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -0.881 . . . . 1.66 110.247 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.485 ' HA ' HG13 ' B' ' 65' ' ' ILE . 5.1 tm0? -57.45 -48.47 79.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 1.58 110.509 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -35.28 30.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 1.81 110.223 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.49 -21.94 61.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 1.39 110.176 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.529 ' CG1' HD11 ' A' ' 65' ' ' ILE . 1.1 mt -83.58 -47.25 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 1.33 109.676 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -44.99 81.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 1.77 109.8 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -63.2 -55.51 24.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.353 -0.842 . . . . 1.88 109.933 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' B' ' 71' ' ' GLN . 97.2 mt -60.25 -44.59 95.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.91 . . . . 1.6 110.248 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' B' ' 65' ' ' ILE . 24.6 ttmt -48.86 -54.34 15.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.188 -0.945 . . . . 2.71 110.486 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . 0.431 ' O ' HD23 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.32 -40.51 90.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 3.19 110.405 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.53 ' HB3' ' CD1' ' B' ' 75' ' ' LEU . 40.7 mm-40 -50.21 -81.52 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 2.14 110.216 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.528 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -40.18 -29.2 0.07 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.328 -0.857 . . . . 0.96 110.28 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -59.55 -64.72 0.84 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.919 . . . . 1.23 109.73 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 71' ' ' GLN . 0.8 OUTLIER -77.39 -26.09 51.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 1.91 109.581 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.546 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -60.0 -47.97 83.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.422 -0.799 . . . . 1.34 109.72 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' B' ' 79' ' ' VAL . 52.0 tt0 -72.52 -33.56 66.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.499 -0.75 . . . . 1.35 109.842 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -58.56 -14.93 9.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 2.32 109.989 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -106.51 -36.92 6.64 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.841 -1.17 . . . . 2.02 107.841 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.44 ' HB ' ' HA ' ' B' ' 76' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.298 -1.645 0 N-CA-C 108.779 -0.823 . . . . 1.52 108.779 178.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.258 0.551 . . . . 3.94 110.161 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.87 142.31 16.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 3.23 110.264 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.54 -78.6 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.223 -0.923 . . . . 2.54 110.126 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 166.01 24.22 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.216 -0.927 . . . . 3.42 110.081 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 7' ' ' HIS . 6.9 tpp180 -85.52 -92.65 0.09 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -0.922 . . . . 3.03 110.374 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 5' ' ' ARG . . . 53.01 -88.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.143 -0.973 . . . . 1.95 110.207 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -119.67 -154.54 0.58 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 3.66 110.242 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.421 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.0 OUTLIER -115.9 63.54 0.7 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.151 -0.968 . . . . 4.42 110.311 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 8' ' ' HIS . 13.3 t-20 64.3 9.55 4.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.276 -0.89 . . . . 3.35 110.326 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.13 -169.72 1.69 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.175 -0.953 . . . . 2.17 110.015 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.74 129.72 9.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 3.29 109.92 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 tp10 -66.35 -157.67 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 4.04 110.659 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 37.95 -152.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.593 -0.692 . . . . 3.14 111.018 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HE2' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -164.95 -148.98 0.12 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.352 -0.843 . . . . 3.81 109.778 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' HG2' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.6 32.21 0.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.043 -1.036 . . . . 3.93 110.839 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -105.27 -13.77 15.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.156 -0.965 . . . . 3.78 109.611 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.466 ' OD2' ' HB2' ' A' ' 13' ' ' ARG . 1.3 p30 -124.33 0.77 8.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.513 -0.742 . . . . 3.81 110.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' B' ' 40' ' ' ARG . 16.1 p-80 -46.78 -32.92 3.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.147 -0.971 . . . . 6.84 109.28 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.57 HD13 ' CE2' ' B' ' 23' ' ' PHE . 1.2 mm -53.91 -79.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.161 -0.962 . . . . 2.08 108.699 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' CA ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -27.94 -42.68 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.22 0.533 . . . . 5.15 110.609 179.06 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' ILE . 3.5 t70 -57.38 -67.16 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 118.985 -1.086 . . . . 2.76 108.207 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' PHE . 74.0 p -54.72 -41.55 70.48 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.166 -1.049 . . . . 1.99 108.166 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.595 ' CD1' HD12 ' B' ' 44' ' ' LEU . 0.9 OUTLIER -44.48 -59.9 2.22 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.585 -0.894 . . . . 2.73 108.585 178.223 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 23' ' ' PHE . 19.3 m170 -41.13 -51.66 3.39 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.811 -0.811 . . . . 2.77 108.811 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -44.19 73.12 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.351 -0.981 . . . . 1.87 108.351 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.18 -38.16 87.38 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.543 -0.723 . . . . 2.37 109.218 178.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' LEU . 2.8 ttt180 -43.63 -40.58 4.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.865 . . . . 2.66 109.276 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -23.88 39.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 2.29 109.504 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -48.42 -56.43 8.23 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.913 -1.143 . . . . 1.84 107.913 178.717 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 13.4 t -98.23 111.07 58.7 Favored Pre-proline 0 C--N 1.31 -1.115 0 N-CA-C 108.305 -0.998 . . . . 1.85 108.305 178.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -73.06 -24.44 17.21 Favored 'Trans proline' 0 C--N 1.3 -1.987 0 O-C-N 123.49 1.258 . . . . 1.61 110.016 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.01 -13.76 43.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.267 -0.896 . . . . 2.26 109.592 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -50.87 -31.15 16.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.567 -0.708 . . . . 2.26 109.719 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.15 -45.33 83.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.431 -0.793 . . . . 4.09 110.304 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.54 -4.51 90.12 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.614 -1.394 . . . . 2.61 109.614 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 38' ' ' ALA . 2.2 tm-20 -122.55 41.55 3.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.142 -1.21 . . . . 3.47 110.078 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -47.47 90.32 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.063 0.935 . . . . 4.33 110.503 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -99.33 65.37 1.41 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.041 -1.037 . . . . 3.7 110.714 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.502 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.8 OUTLIER 66.48 169.84 0.24 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.133 -0.98 . . . . 4.98 110.463 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -48.16 -40.96 25.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.304 -0.873 . . . . 7.19 110.425 -179.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.545 ' CB ' HD11 ' A' ' 44' ' ' LEU . . . -76.31 8.15 3.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 3.09 110.514 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.522 ' HG3' HG13 ' A' ' 43' ' ' ILE . 4.3 pt20 -44.75 -37.92 4.09 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.133 -0.979 . . . . 2.84 110.666 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.556 ' CG2' ' HB3' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.41 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.513 -1.275 . . . . 3.42 108.136 178.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.598 ' CD2' ' CD2' ' B' ' 44' ' ' LEU . 23.0 mt -70.05 -43.3 71.52 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.874 -0.787 . . . . 2.14 108.874 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.438 -0.949 . . . . 2.29 108.438 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -80.04 -39.01 30.72 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.642 -0.823 . . . . 3.18 109.569 178.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 44' ' ' LEU . . . -54.66 -40.8 69.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.141 -0.975 . . . . 1.29 109.452 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 44' ' ' LEU . 2.7 m -70.85 -40.03 72.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.351 -0.843 . . . . 2.28 110.002 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -68.29 -35.75 78.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.136 -0.978 . . . . 2.26 109.647 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.539 ' CD1' ' HE2' ' A' ' 54' ' ' MET . 2.9 m-85 -65.02 -71.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 2.82 110.136 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' TYR . 48.3 mt -40.29 -37.72 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.384 -0.823 . . . . 1.41 110.506 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 52' ' ' GLN . 43.6 mm-40 -77.53 -74.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 2.69 110.131 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -55.06 -54.61 40.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 2.53 109.605 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.569 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.8 ttt -45.38 -46.79 13.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.115 -0.991 . . . . 1.4 109.607 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 1.3 tmm_? -63.13 -45.46 91.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.331 -0.856 . . . . 3.11 109.578 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -45.69 68.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.357 -0.84 . . . . 3.1 109.715 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 6.0 mmtp -56.62 -52.86 63.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.358 -0.839 . . . . 2.84 109.903 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -47.46 -58.31 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.298 -0.876 . . . . 2.06 109.977 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -47.09 -64.4 0.79 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.216 -0.927 . . . . 2.74 110.044 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -57.68 -37.76 73.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.173 -0.954 . . . . 1.99 109.94 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.0 mt -59.27 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 1.51 109.838 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.57 ' HA ' ' CD1' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -42.72 -26.82 0.14 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.85 110.127 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -59.54 -45.11 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 2.14 109.57 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.528 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 13.2 p30 -76.53 -17.75 59.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 1.43 109.839 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 62' ' ' GLN . 2.3 mt -80.71 -42.24 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 1.29 108.722 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -38.51 90.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.455 -0.778 . . . . 2.02 109.121 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -46.22 58.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.502 -0.749 . . . . 1.6 109.274 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.528 ' CD1' ' O ' ' A' ' 64' ' ' ASP . 33.9 mt -64.46 -37.2 86.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.826 . . . . 1.26 109.339 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 1.5 tppp? -58.5 -44.11 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.47 -0.769 . . . . 2.8 109.804 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -36.23 80.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.848 . . . . 3.58 109.762 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.517 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 90.9 mt-30 -58.24 -86.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.337 -0.852 . . . . 2.05 109.998 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.511 ' ND2' ' OE1' ' B' ' 71' ' ' GLN . 0.6 OUTLIER -40.58 -27.16 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 1.08 110.388 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -65.61 -54.62 25.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.109 -0.994 . . . . 1.4 109.128 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 4.5 mp -82.57 -24.82 33.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.919 -0.771 . . . . 2.4 108.919 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' B' ' 75' ' ' LEU . 0.2 OUTLIER -64.97 -52.9 53.71 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.542 -0.724 . . . . 1.15 109.457 179.279 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' CD2' ' B' ' 75' ' ' LEU . 4.6 tt0 -68.18 -29.22 68.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.463 -0.773 . . . . 1.65 109.772 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.1 tp-100 -66.33 -11.56 51.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.345 -0.847 . . . . 2.38 109.728 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 -38.54 6.08 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.716 -1.216 . . . . 2.21 107.716 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.406 HG23 ' HG2' ' B' ' 78' ' ' GLN . 0.9 OUTLIER -61.57 -24.93 35.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 108.582 -0.895 . . . . 1.32 108.582 178.094 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.21 -28.54 12.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.621 -0.675 . . . . 3.3 109.56 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 77' ' ' GLN . . . -84.97 10.1 12.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.334 -0.854 . . . . 1.53 110.007 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.584 ' CD1' ' CD1' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -121.37 -49.72 2.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.281 -0.887 . . . . 2.15 109.975 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.539 ' N ' HD12 ' A' ' 82' ' ' LEU . 23.6 pt-20 -50.51 140.5 13.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.932 . . . . 1.9 110.195 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 85' ' ' SER . . . 99.79 53.82 1.09 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.541 -1.424 . . . . 1.64 109.541 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.2 OUTLIER 64.05 109.78 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -1.169 . . . . 2.85 110.101 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' CYS . . . -160.75 -36.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.599 -1.401 . . . . 2.23 109.599 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' GLY . 9.8 p . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.437 -1.037 . . . . 2.16 110.455 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.231 0.538 . . . . 3.58 110.183 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.85 142.37 16.27 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 2.02 110.209 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.58 -78.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 2.89 110.123 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.53 166.01 24.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.193 -0.942 . . . . 2.92 110.132 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' B' ' 7' ' ' HIS . 6.8 tpp180 -85.52 -92.79 0.09 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.18 -0.95 . . . . 2.77 110.351 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' B' ' 5' ' ' ARG . . . 53.1 -88.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.133 -0.979 . . . . 1.64 110.222 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -119.73 -154.45 0.58 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.25 -0.906 . . . . 2.56 110.198 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' B' ' 8' ' ' HIS . 1.1 t60 -115.91 63.46 0.7 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.209 -0.932 . . . . 3.23 110.376 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' B' ' 8' ' ' HIS . 13.3 t-20 64.35 9.52 4.97 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.294 -0.878 . . . . 2.24 110.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.09 -169.71 1.69 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.179 -0.951 . . . . 2.28 110.027 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.81 129.77 9.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.172 -0.955 . . . . 2.71 109.909 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' B' ' 13' ' ' ARG . 3.2 tp10 -66.32 -157.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 3.16 110.592 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER 37.98 -152.04 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.434 0.635 . . . . 4.73 111.05 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.414 ' N ' ' HG2' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -165.1 -149.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 4.99 109.717 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 32.19 0.51 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.028 -1.045 . . . . 5.24 110.82 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -105.26 -13.79 15.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.15 -0.969 . . . . 4.24 109.603 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.455 ' OD2' ' HB2' ' B' ' 13' ' ' ARG . 1.3 p30 -124.28 0.66 8.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.502 -0.749 . . . . 5.59 110.046 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 40' ' ' ARG . 16.2 p-80 -46.63 -32.91 3.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.139 -0.976 . . . . 4.76 109.331 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.587 HD13 ' CE2' ' A' ' 23' ' ' PHE . 1.2 mm -53.87 -79.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.198 -0.939 . . . . 2.77 108.726 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.556 ' CA ' ' HB2' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -27.96 -42.92 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-O 121.214 0.531 . . . . 3.27 110.564 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 19' ' ' ILE . 3.5 t70 -57.05 -67.17 0.34 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.053 -1.059 . . . . 2.72 108.233 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.428 ' O ' ' C ' ' B' ' 23' ' ' PHE . 65.8 p -54.88 -41.38 70.81 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.203 -1.036 . . . . 2.0 108.203 177.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.592 ' CE1' ' CD1' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -44.67 -59.84 2.29 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.475 -0.935 . . . . 2.5 108.475 178.242 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' B' ' 23' ' ' PHE . 19.4 m170 -41.11 -51.75 3.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.814 -0.81 . . . . 3.07 108.814 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -44.16 72.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.418 -0.956 . . . . 1.91 108.418 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.554 ' HB3' ' CG2' ' B' ' 43' ' ' ILE . 0.2 OUTLIER -66.26 -38.25 87.4 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.486 -0.758 . . . . 2.17 109.193 178.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' B' ' 26' ' ' LEU . 2.8 ttt180 -43.46 -40.62 3.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.819 . . . . 2.85 109.281 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -80.92 -23.88 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.759 . . . . 1.76 109.637 179.107 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -48.33 -56.18 8.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.931 -1.137 . . . . 1.38 107.931 178.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.542 ' O ' ' HB2' ' B' ' 33' ' ' LEU . 12.5 t -98.18 110.27 55.43 Favored Pre-proline 0 C--N 1.303 -1.437 0 N-CA-C 108.358 -0.978 . . . . 1.51 108.358 178.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -73.02 -24.56 17.16 Favored 'Trans proline' 0 C--N 1.3 -1.99 0 O-C-N 123.408 1.215 . . . . 1.77 110.043 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.04 -13.41 44.46 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.28 -0.887 . . . . 2.43 109.555 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' B' ' 30' ' ' VAL . 0.1 OUTLIER -51.18 -31.1 18.9 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.575 -0.703 . . . . 1.72 109.616 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -45.49 83.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.453 -0.779 . . . . 3.67 110.24 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.35 -4.53 89.96 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.666 -1.374 . . . . 2.06 109.666 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' B' ' 38' ' ' ALA . 2.1 tm-20 -122.51 41.42 3.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.162 -1.199 . . . . 2.87 110.091 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.6 ' CD ' ' N ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -47.44 90.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.985 0.898 . . . . 4.1 110.571 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' B' ' 36' ' ' GLU . . . -99.46 65.6 1.4 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.07 -1.019 . . . . 2.2 110.692 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.5 ' O ' ' HG2' ' B' ' 42' ' ' GLN . 0.7 OUTLIER 66.5 169.91 0.24 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.131 -0.981 . . . . 2.99 110.467 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -48.25 -40.84 25.95 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.336 -0.852 . . . . 4.88 110.479 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' B' ' 44' ' ' LEU . . . -76.43 8.31 3.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 2.0 110.514 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.52 ' HG3' HG13 ' B' ' 43' ' ' ILE . 4.3 pt20 -44.8 -37.89 4.13 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.096 -1.002 . . . . 2.48 110.705 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.554 ' CG2' ' HB3' ' B' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.42 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 3.05 108.162 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.598 ' CD2' ' CD2' ' A' ' 44' ' ' LEU . 23.3 mt -70.16 -43.15 71.46 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 2.23 108.863 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -53.18 -47.28 68.97 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.353 -0.98 . . . . 2.49 108.353 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -80.02 -39.05 30.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.668 -0.813 . . . . 2.55 109.623 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' B' ' 44' ' ' LEU . . . -55.05 -40.49 70.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 1.21 109.557 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 44' ' ' LEU . 2.8 m -70.73 -40.06 72.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 2.39 109.812 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.511 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 0.2 OUTLIER -68.39 -35.63 77.97 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.184 -0.947 . . . . 2.27 109.667 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' MET . 3.0 m-85 -65.05 -71.54 0.18 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.311 -0.868 . . . . 2.67 110.137 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 47' ' ' ALA . 49.8 mt -40.27 -37.82 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.361 -0.837 . . . . 1.82 110.421 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' B' ' 52' ' ' GLN . 43.6 mm-40 -77.48 -74.97 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.213 -0.929 . . . . 2.49 110.106 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.571 ' CD2' ' N ' ' B' ' 54' ' ' MET . 0.0 OUTLIER -55.01 -54.65 40.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 2.31 109.601 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.571 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.8 ttt -45.34 -46.75 13.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.116 -0.99 . . . . 1.62 109.596 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 1.2 tmm_? -63.18 -45.31 92.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 3.05 109.545 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -45.77 69.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.342 -0.849 . . . . 3.61 109.691 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.439 ' HB3' HD13 ' B' ' 61' ' ' LEU . 6.0 mmtp -56.59 -52.87 63.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -0.822 . . . . 2.16 109.9 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.411 HG22 ' O ' ' B' ' 54' ' ' MET . 66.9 t -47.46 -58.21 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.256 -0.903 . . . . 1.46 110.015 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . 0.43 ' O ' ' NE2' ' B' ' 63' ' ' GLN . 0.8 OUTLIER -47.25 -64.26 0.83 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.151 -0.968 . . . . 2.39 110.026 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -57.74 -37.83 74.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 1.42 109.869 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.471 ' O ' HG13 ' B' ' 65' ' ' ILE . 8.0 mt -59.13 -78.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.343 -0.848 . . . . 1.66 109.849 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.533 ' HA ' ' CD1' ' B' ' 65' ' ' ILE . 0.7 OUTLIER -42.45 -26.99 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.58 110.062 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' B' ' 59' ' ' HIS . 0.0 OUTLIER -59.49 -45.07 92.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.81 109.643 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.519 ' O ' ' CD1' ' B' ' 68' ' ' LEU . 12.9 p30 -76.53 -17.78 59.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 1.39 109.828 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.558 ' CG1' HD12 ' A' ' 65' ' ' ILE . 1.9 mt -80.71 -42.25 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.232 -0.917 . . . . 1.33 108.746 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.65 91.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.472 -0.768 . . . . 1.77 109.012 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' B' ' 71' ' ' GLN . 0.5 OUTLIER -71.82 -46.24 58.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.525 -0.734 . . . . 1.88 109.327 179.186 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' B' ' 64' ' ' ASP . 35.1 mt -64.54 -37.11 86.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.331 -0.856 . . . . 1.6 109.338 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.514 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 1.5 tppp? -58.49 -44.23 89.3 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.383 -0.823 . . . . 2.71 109.753 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -36.25 80.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.309 -0.87 . . . . 3.19 109.836 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.516 ' HB3' ' CD1' ' B' ' 75' ' ' LEU . 91.2 mt-30 -58.23 -86.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 2.14 109.924 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' B' ' 69' ' ' LYS . 0.5 OUTLIER -39.93 -27.83 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.485 -0.76 . . . . 0.96 110.426 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -65.5 -54.67 24.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.108 -0.995 . . . . 1.23 109.207 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' B' ' 74' ' ' LEU . 4.4 mp -82.57 -24.8 33.8 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.935 -0.765 . . . . 1.91 108.935 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.54 ' CD2' ' HB3' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -64.88 -52.96 53.71 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.473 0.654 . . . . 1.34 109.493 179.231 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.481 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 4.6 tt0 -68.11 -29.18 68.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.443 -0.786 . . . . 1.35 109.751 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' B' ' 81' ' ' ALA . 1.1 tp-100 -66.37 -11.52 51.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.324 -0.86 . . . . 2.32 109.727 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.406 ' HG2' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -106.72 -38.51 6.09 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.762 -1.199 . . . . 2.02 107.762 178.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -25.04 35.73 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 108.558 -0.905 . . . . 1.52 108.558 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.08 -28.55 12.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.653 -0.654 . . . . 3.22 109.574 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 77' ' ' GLN . . . -85.0 10.2 12.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.86 . . . . 1.52 109.991 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.584 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -121.5 -49.49 2.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.264 -0.898 . . . . 1.69 110.005 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.533 ' N ' HD13 ' B' ' 82' ' ' LEU . 23.6 pt-20 -50.75 140.47 14.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.204 -0.935 . . . . 2.26 110.19 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.9 53.82 1.09 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.508 -1.437 . . . . 1.76 109.508 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.05 109.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.31 -1.112 . . . . 3.17 110.135 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' B' ' 87' ' ' CYS . . . -160.58 -37.01 0.02 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.6 -1.4 . . . . 2.55 109.6 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' B' ' 86' ' ' GLY . 8.8 p . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.448 -1.031 . . . . 3.46 110.518 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.235 0.541 . . . . 3.94 110.223 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 3' ' ' ASP . . . -129.11 -164.87 1.44 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.937 . . . . 3.23 110.296 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 17.6 t70 65.89 12.81 8.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.348 -0.845 . . . . 2.54 110.215 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 42.78 78.87 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.336 -0.852 . . . . 3.42 110.212 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' ALA . 2.3 ttt85 -63.99 83.75 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.301 -0.874 . . . . 3.03 110.234 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 7' ' ' HIS . . . 41.29 -142.07 0.08 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.324 -0.86 . . . . 1.95 110.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.465 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 16.1 m-70 56.64 168.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 3.66 110.377 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 138.83 24.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.32 -0.863 . . . . 4.42 110.102 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -152.27 149.54 28.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.255 -0.903 . . . . 3.35 110.168 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.56 81.29 1.53 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.271 -0.893 . . . . 2.17 110.186 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.66 21.28 6.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 3.29 110.26 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -147.56 76.65 1.41 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.25 -0.906 . . . . 4.04 110.248 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 11.4 ttt180 -46.09 -69.14 0.14 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.304 -0.872 . . . . 3.14 110.193 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER 64.84 -151.18 0.27 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.199 -0.938 . . . . 3.81 110.579 179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -123.01 -7.67 8.35 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.303 -0.873 . . . . 3.93 109.84 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -49.39 -34.71 16.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.35 -0.843 . . . . 3.78 111.021 -179.458 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 10.3 t70 -96.72 -6.14 37.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.058 -1.026 . . . . 3.81 110.897 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' B' ' 40' ' ' ARG . 0.6 OUTLIER -63.38 -83.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.968 -1.082 . . . . 6.84 111.408 -179.215 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.543 HG22 ' CD2' ' B' ' 44' ' ' LEU . 4.4 pt -60.96 -50.63 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.49 -1.381 . . . . 2.08 110.7 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 19' ' ' ILE . 1.8 mttm -36.05 -64.72 0.3 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.366 -0.834 . . . . 5.15 109.96 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 1.4 t0 -46.41 -45.29 17.84 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 2.76 107.886 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -63.14 -49.44 74.33 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.763 -0.828 . . . . 1.99 108.763 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 41' ' ' ALA . 9.7 m-30 -48.58 -63.23 1.15 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.352 -0.843 . . . . 2.73 109.002 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -42.64 -52.36 4.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.441 -0.787 . . . . 2.77 109.6 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -29.68 68.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.372 -0.83 . . . . 1.87 109.178 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -71.52 -45.6 61.95 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.664 -0.648 . . . . 2.37 109.63 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.541 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.08 -27.03 63.28 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.139 -1.059 . . . . 2.66 108.139 178.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.405 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 34.5 t0 -71.86 -25.6 62.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.765 -0.584 . . . . 2.29 109.658 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -71.0 -36.0 72.29 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.147 -0.97 . . . . 1.84 108.612 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.675 ' CG1' ' CD1' ' A' ' 33' ' ' LEU 0.285 8.2 t -109.17 90.26 7.86 Favored Pre-proline 0 C--N 1.312 -1.058 0 N-CA-C 108.398 -0.964 . . . . 1.85 108.398 179.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.475 ' O ' ' HB3' ' A' ' 32' ' ' SER . 43.4 Cg_endo -69.52 169.56 18.34 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 O-C-N 123.921 1.484 . . . . 1.61 110.812 -178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.478 ' O ' ' OE1' ' A' ' 36' ' ' GLU . 0.1 OUTLIER 64.98 6.81 3.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.531 -0.731 . . . . 2.26 110.57 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.675 ' CD1' ' CG1' ' A' ' 30' ' ' VAL . 1.4 tp -87.63 -74.15 0.45 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.111 -0.993 . . . . 2.26 109.665 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER 49.27 -89.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.541 -0.724 . . . . 4.09 110.45 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 33' ' ' LEU . . . -123.19 45.22 1.21 Allowed Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.915 -1.274 . . . . 2.61 109.915 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' OE1' ' O ' ' A' ' 32' ' ' SER . 3.0 tt0 -68.68 -139.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -1.192 . . . . 3.47 109.943 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -25.51 34.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.158 -0.963 . . . . 4.33 110.09 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . . . -65.75 159.7 24.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.139 -0.975 . . . . 3.7 110.145 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.31 175.74 9.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.163 -0.961 . . . . 4.98 110.646 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.474 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 58.21 -110.68 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 7.19 108.872 -179.347 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -75.14 -26.86 59.48 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 120.277 -1.514 . . . . 3.09 107.522 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 15.1 mt-30 65.7 -43.48 0.37 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.132 -0.485 . . . . 2.84 112.085 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.631 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -72.73 -49.15 42.44 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.539 0 O-C-N 120.173 -1.579 . . . . 3.42 109.765 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.799 HD11 HD13 ' B' ' 44' ' ' LEU . 10.7 mp -35.82 -43.43 0.3 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.035 -1.041 . . . . 2.14 109.698 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 49' ' ' GLU . 2.1 t0 -62.24 -51.31 68.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.611 -0.885 . . . . 2.29 108.611 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 43' ' ' ILE . 36.0 mmtt -81.16 -52.01 7.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.266 -0.896 . . . . 3.18 110.127 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.631 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -31.01 -56.57 0.23 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.194 0.521 . . . . 1.29 110.901 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.521 ' OG1' ' HA ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -79.98 -52.78 7.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.932 -1.105 . . . . 2.28 110.879 -179.481 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.498 ' CG ' ' HA ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -45.3 -29.79 1.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.86 -1.136 . . . . 2.26 108.833 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.472 ' O ' ' HB2' ' A' ' 54' ' ' MET . 3.3 m-85 -72.79 -47.91 42.61 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.042 -0.725 . . . . 2.82 109.042 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.551 ' CD1' ' HA ' ' B' ' 47' ' ' ALA . 69.1 mt -56.2 -68.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.447 -0.783 . . . . 1.41 109.972 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ILE . 53.4 mt-30 -42.03 -59.45 1.74 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.447 -0.783 . . . . 2.69 110.095 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CD2' ' N ' ' A' ' 54' ' ' MET . 28.5 t80 -56.57 -71.05 0.1 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.889 . . . . 2.53 110.136 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.493 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.6 mtt -46.93 -57.63 4.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 1.4 110.308 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 4.2 tmt_? -43.07 -62.43 1.04 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 3.11 110.033 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -51.85 -32.58 32.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 3.1 109.781 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.33 -0.856 . . . . 2.84 110.009 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 62' ' ' GLN . 65.2 t -44.51 -46.14 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.27 -0.894 . . . . 2.06 110.061 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -55.42 33.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.258 -0.901 . . . . 2.74 110.056 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 6.9 p -63.15 -42.44 99.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.319 -0.863 . . . . 1.99 110.178 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.48 ' O ' HG13 ' A' ' 65' ' ' ILE . 43.7 mt -61.17 -61.08 2.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 1.51 110.18 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.503 ' CA ' HG13 ' A' ' 65' ' ' ILE . 1.1 mt-30 -42.36 -63.12 0.81 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.836 . . . . 1.85 110.391 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' GLN . 72.0 mm-40 -43.4 -36.16 1.84 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.163 -0.961 . . . . 2.14 110.17 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' THR . 12.9 m-20 -73.56 -22.36 60.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 1.43 110.175 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.503 HG13 ' CA ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER -86.4 -36.58 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 1.29 109.482 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.89 -48.93 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 2.02 109.838 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' OE1' ' A' ' 71' ' ' GLN . 22.9 m-20 -65.06 -48.07 75.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 1.6 109.741 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.439 HD12 ' HD3' ' B' ' 69' ' ' LYS . 17.6 mt -62.1 -39.89 94.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.329 -0.857 . . . . 1.26 109.97 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HD3' HD11 ' B' ' 68' ' ' LEU . 1.1 tppp? -61.02 -47.92 84.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 2.8 110.114 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -35.08 78.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.275 -0.891 . . . . 3.58 110.027 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.514 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -61.07 -80.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.341 -0.849 . . . . 2.05 110.221 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.555 ' HB2' ' HB3' ' B' ' 71' ' ' GLN . 0.1 OUTLIER -39.22 -27.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 1.08 110.222 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -62.89 -66.59 0.52 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 1.4 108.925 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 71' ' ' GLN . 1.8 pp -72.39 -23.63 61.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.83 . . . . 2.4 109.083 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.558 ' CD2' ' HB3' ' B' ' 75' ' ' LEU . 0.3 OUTLIER -65.43 -46.91 78.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.413 -0.804 . . . . 1.15 109.544 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.43 -33.91 71.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.391 -0.818 . . . . 1.65 109.892 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.42 ' OE1' ' HA ' ' A' ' 77' ' ' GLN . 1.7 tp-100 -63.84 -11.38 26.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.914 . . . . 2.38 109.703 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.411 ' HB3' ' CG2' ' B' ' 79' ' ' VAL . 2.7 tp-100 -109.94 -41.09 4.57 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.064 -1.087 . . . . 2.21 108.064 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -60.09 -16.2 11.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.81 -0.811 . . . . 1.32 108.81 178.216 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -112.92 -45.56 3.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.523 -0.736 . . . . 3.3 109.841 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 77' ' ' GLN . . . -47.3 -24.95 0.85 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 1.53 110.011 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.6 tt -116.04 -45.35 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 2.15 110.09 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -76.14 53.54 0.81 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.21 -0.931 . . . . 1.9 110.168 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -137.1 -49.56 0.07 OUTLIER Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.376 -1.49 . . . . 1.64 109.376 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.7 m -97.38 -14.86 20.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -1.109 . . . . 2.85 110.1 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.49 52.83 2.58 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.658 -1.377 . . . . 2.23 109.658 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.182 -1.187 . . . . 2.16 110.269 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.199 0.523 . . . . 3.58 110.189 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' B' ' 3' ' ' ASP . . . -129.08 -164.87 1.44 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.264 -0.898 . . . . 2.02 110.328 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.462 ' HB3' ' O ' ' B' ' 2' ' ' ALA . 17.4 t70 65.9 12.77 8.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 2.89 110.219 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 3' ' ' ASP . 0.0 OUTLIER 42.8 78.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.307 -0.87 . . . . 2.92 110.148 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' B' ' 6' ' ' ALA . 2.2 ttt85 -63.92 83.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -0.875 . . . . 2.77 110.247 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' B' ' 7' ' ' HIS . . . 41.32 -142.04 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.364 -0.835 . . . . 1.64 110.236 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' B' ' 6' ' ' ALA . 16.1 m-70 56.57 168.93 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.281 -0.887 . . . . 2.56 110.385 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 138.87 24.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.331 -0.856 . . . . 3.23 110.14 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -152.28 149.47 28.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 2.24 110.145 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.53 81.27 1.52 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 2.28 110.19 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.63 21.31 6.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.24 -0.912 . . . . 2.71 110.269 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -147.64 76.71 1.4 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.892 . . . . 3.16 110.235 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' B' ' 14' ' ' LYS . 11.5 ttt180 -46.05 -69.19 0.14 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.313 -0.867 . . . . 4.73 110.232 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' B' ' 13' ' ' ARG . 0.1 OUTLIER 64.81 -151.17 0.27 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.226 -0.921 . . . . 4.99 110.529 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -123.0 -7.63 8.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.273 -0.892 . . . . 5.24 109.881 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -49.46 -34.61 17.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.345 -0.847 . . . . 4.24 111.043 -179.44 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 10.2 t70 -96.69 -6.25 36.91 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.029 -1.044 . . . . 5.59 110.862 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.461 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -63.34 -83.1 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.991 -1.068 . . . . 4.76 111.371 -179.161 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.609 ' CG2' HD21 ' A' ' 44' ' ' LEU . 4.8 pt -60.8 -50.84 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.558 -1.339 . . . . 2.77 110.741 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' B' ' 19' ' ' ILE . 1.8 mttm -36.0 -64.78 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.418 -0.801 . . . . 3.27 110.023 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' B' ' 17' ' ' ASP . 1.4 t0 -46.38 -45.25 17.7 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.941 -1.133 . . . . 2.72 107.941 178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.539 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.5 OUTLIER -63.18 -49.36 74.57 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.746 -0.835 . . . . 2.0 108.746 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.652 ' CZ ' ' CB ' ' B' ' 41' ' ' ALA . 9.7 m-30 -48.68 -63.17 1.17 Allowed 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.281 -0.887 . . . . 2.5 109.047 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' B' ' 23' ' ' PHE . 0.6 OUTLIER -42.63 -52.37 4.87 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.777 -0.769 . . . . 3.07 109.636 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -29.61 68.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 1.91 109.14 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.548 ' CD2' HG22 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -71.48 -45.76 61.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.657 -0.652 . . . . 2.17 109.65 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.535 ' N ' HG12 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -57.96 -26.92 62.92 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.127 -1.064 . . . . 2.85 108.127 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' B' ' 27' ' ' ARG . 34.2 t0 -71.97 -26.21 62.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.785 -0.572 . . . . 1.76 109.781 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -70.8 -34.98 72.3 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.38 108.51 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.615 ' CG1' ' CD1' ' B' ' 33' ' ' LEU . 12.6 t -109.22 89.15 6.58 Favored Pre-proline 0 C--N 1.299 -1.621 0 N-CA-C 109.073 -0.714 . . . . 1.51 109.073 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.48 ' O ' ' HB3' ' B' ' 32' ' ' SER . 44.0 Cg_endo -69.68 169.37 18.96 Favored 'Trans proline' 0 C--N 1.303 -1.823 0 O-C-N 123.953 1.502 . . . . 1.77 110.96 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.49 ' O ' ' OE1' ' B' ' 36' ' ' GLU . 0.1 OUTLIER 64.97 6.76 3.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.553 -0.717 . . . . 2.43 110.564 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.615 ' CD1' ' CG1' ' B' ' 30' ' ' VAL . 1.8 tp -87.78 -73.92 0.47 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.143 -0.973 . . . . 1.72 109.732 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.454 ' O ' ' NE2' ' B' ' 42' ' ' GLN . 0.4 OUTLIER 49.17 -88.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.486 -0.759 . . . . 3.67 110.453 179.672 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' B' ' 33' ' ' LEU . . . -123.21 45.19 1.22 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.905 -1.278 . . . . 2.06 109.905 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.49 ' OE1' ' O ' ' B' ' 32' ' ' SER . 3.0 tt0 -68.68 -139.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.175 -1.191 . . . . 2.87 109.933 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -25.38 34.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.109 -0.994 . . . . 4.1 110.157 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.88 159.74 24.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.083 -1.011 . . . . 2.2 110.068 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.35 175.75 9.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.127 -0.983 . . . . 2.99 110.628 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.546 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER 58.14 -110.71 0.53 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.309 -0.87 . . . . 4.88 108.938 -179.335 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.652 ' CB ' ' CZ ' ' B' ' 23' ' ' PHE . . . -75.03 -26.94 59.86 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 120.255 -1.528 . . . . 2.0 107.446 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 15.2 mt-30 65.79 -43.42 0.37 Allowed 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 116.161 -0.472 . . . . 2.48 112.012 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.629 ' O ' ' N ' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -72.77 -49.38 40.68 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 120.202 -1.561 . . . . 3.05 109.79 -179.283 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.799 HD13 HD11 ' A' ' 44' ' ' LEU . 10.1 mp -35.52 -43.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.116 -0.99 . . . . 2.23 109.725 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 2.0 t0 -62.19 -51.38 68.06 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.704 -0.85 . . . . 2.49 108.704 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' B' ' 43' ' ' ILE . 36.0 mmtt -81.09 -52.15 7.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.307 -0.871 . . . . 2.55 110.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -31.81 -55.67 0.29 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.81 -0.556 . . . . 1.21 111.36 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.516 HG21 ' N ' ' B' ' 49' ' ' GLU . 0.6 OUTLIER -79.88 -52.99 7.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.986 -1.071 . . . . 2.39 110.496 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.516 ' N ' HG21 ' B' ' 48' ' ' THR . 0.2 OUTLIER -45.33 -29.73 1.11 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.807 -1.183 . . . . 2.27 108.82 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' B' ' 54' ' ' MET . 3.3 m-85 -72.84 -47.93 42.09 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.028 -0.73 . . . . 2.67 109.028 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 69.0 mt -56.15 -68.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 1.82 109.951 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' ILE . 53.3 mt-30 -42.06 -59.43 1.75 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.414 -0.804 . . . . 2.49 110.095 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' N ' ' B' ' 54' ' ' MET . 28.4 t80 -56.63 -71.02 0.1 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.344 -0.848 . . . . 2.31 110.133 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.498 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.6 mtt -46.91 -57.65 4.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.191 -0.943 . . . . 1.62 110.33 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 4.2 tmt_? -43.04 -62.41 1.04 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 3.05 110.06 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm-85 -51.9 -32.48 32.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.927 . . . . 3.61 109.861 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 2.16 110.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' B' ' 62' ' ' GLN . 66.2 t -44.68 -46.08 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 1.46 110.034 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -55.35 34.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.861 . . . . 2.39 110.058 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 64' ' ' ASP . 6.9 p -63.16 -42.49 99.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 1.42 110.143 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.484 ' O ' HG13 ' B' ' 65' ' ' ILE . 44.1 mt -61.16 -61.12 2.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.872 . . . . 1.66 110.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.512 ' CA ' HG13 ' B' ' 65' ' ' ILE . 1.1 mt-30 -42.25 -63.18 0.79 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 1.58 110.383 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' B' ' 62' ' ' GLN . 72.6 mm-40 -43.41 -36.13 1.83 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.167 -0.958 . . . . 1.81 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' B' ' 60' ' ' THR . 12.8 m-20 -73.57 -22.43 60.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.276 -0.89 . . . . 1.39 110.15 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.512 HG13 ' CA ' ' B' ' 62' ' ' GLN . 0.8 OUTLIER -86.37 -36.47 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.301 -0.875 . . . . 1.33 109.517 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.0 -48.86 72.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 1.77 109.803 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.432 ' O ' ' OE1' ' B' ' 71' ' ' GLN . 23.0 m-20 -65.1 -48.09 74.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 1.88 109.781 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.445 HD11 ' HD3' ' A' ' 69' ' ' LYS . 17.6 mt -62.01 -39.91 93.89 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 1.6 109.984 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.514 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 1.1 tppp? -61.08 -48.0 83.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.71 110.036 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.467 ' O ' HD23 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -62.65 -35.08 78.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.231 -0.918 . . . . 3.19 110.053 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -61.18 -79.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.313 -0.867 . . . . 2.14 110.242 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' B' ' 69' ' ' LYS . 5.6 p30 -39.46 -27.58 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.273 -0.892 . . . . 0.96 110.251 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -62.88 -66.66 0.51 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 1.23 108.955 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 71' ' ' GLN . 1.8 pp -72.28 -23.66 61.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.91 109.092 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -65.42 -46.99 77.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.434 -0.791 . . . . 1.34 109.524 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 72' ' ' ASN . 4.9 tt0 -70.36 -33.98 72.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.373 -0.83 . . . . 1.35 109.838 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.423 ' O ' ' CB ' ' B' ' 81' ' ' ALA . 1.7 tp-100 -63.74 -11.45 26.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.32 109.708 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.408 ' HB3' HG23 ' A' ' 79' ' ' VAL . 2.7 tp-100 -109.96 -40.96 4.6 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.068 -1.086 . . . . 2.02 108.068 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' B' ' 83' ' ' GLU . 0.9 OUTLIER -60.1 -16.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.778 -0.823 . . . . 1.52 108.778 178.22 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -112.98 -45.52 3.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.525 -0.735 . . . . 3.22 109.802 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' B' ' 77' ' ' GLN . . . -47.33 -24.89 0.85 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 1.52 110.047 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.433 HD22 ' SG ' ' B' ' 87' ' ' CYS . 1.6 tt -116.08 -45.31 2.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.308 -0.87 . . . . 1.69 110.127 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' B' ' 79' ' ' VAL . 0.3 OUTLIER -76.21 53.61 0.82 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.241 -0.912 . . . . 2.26 110.105 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -137.16 -49.57 0.07 OUTLIER Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.335 -1.506 . . . . 1.76 109.335 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.4 m -97.42 -14.84 20.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -1.127 . . . . 3.17 110.063 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.45 52.9 2.57 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.613 -1.395 . . . . 2.55 109.613 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' CYS . . . . . 0.433 ' SG ' HD22 ' B' ' 82' ' ' LEU . 76.4 m . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.224 -1.162 . . . . 3.46 110.258 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.256 0.551 . . . . 3.94 110.202 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' ASP . . . -163.78 -171.2 2.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.249 -0.907 . . . . 3.23 110.255 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 3' ' ' ASP . 30.0 p-10 -43.19 133.23 4.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 2.54 110.16 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -91.59 169.74 10.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.206 -0.934 . . . . 3.42 110.434 -179.788 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 22.1 ttp85 -177.02 -72.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 3.03 110.16 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' ARG . . . 42.93 -147.27 0.05 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 1.95 110.326 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -115.16 63.26 0.68 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 3.66 110.355 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.17 92.44 1.0 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 4.42 110.019 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.79 -48.73 1.25 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.208 -0.933 . . . . 3.35 110.353 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 175.52 56.09 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.3 -0.875 . . . . 2.17 110.231 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 12' ' ' GLU . 2.6 mp -60.43 -85.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 3.29 110.218 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.6 pt-20 175.7 -41.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.241 -0.912 . . . . 4.04 110.058 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' GLU . 7.5 ttm180 43.78 -95.6 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.327 -0.858 . . . . 3.14 109.851 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 12' ' ' GLU . 16.3 mmtt -98.87 -90.69 0.29 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.024 -1.048 . . . . 3.81 110.121 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -153.48 54.95 0.74 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.268 -0.895 . . . . 3.93 109.851 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.74 -55.66 3.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 3.78 110.647 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -94.44 6.29 49.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 3.81 110.372 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -56.3 -64.62 0.8 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 6.84 110.022 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.643 ' CG2' ' CE1' ' A' ' 23' ' ' PHE . 1.9 mm -47.71 -77.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 2.08 109.868 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 19' ' ' ILE . 2.2 mtmm -28.93 -40.69 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.243 0.545 . . . . 5.15 111.082 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -57.49 -62.96 1.41 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.82 -1.175 . . . . 2.76 108.205 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 25' ' ' SER . 0.6 OUTLIER -55.64 -44.44 77.14 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.078 -1.082 . . . . 1.99 108.078 178.169 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.643 ' CE1' ' CG2' ' A' ' 19' ' ' ILE . 2.8 m-30 -45.05 -60.99 1.81 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.56 -0.904 . . . . 2.73 108.56 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 54.6 t-80 -40.61 -37.13 0.68 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.429 0.633 . . . . 2.77 109.639 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -62.87 -41.21 99.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 1.87 110.282 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.634 ' CD1' ' HB3' ' B' ' 44' ' ' LEU . 1.9 mp -75.44 -41.25 56.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.037 -1.04 . . . . 2.37 109.76 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -45.99 15.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.538 -0.726 . . . . 2.66 109.848 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -95.93 15.19 21.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 2.29 109.43 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 26' ' ' LEU . 22.8 t -90.91 -52.94 4.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.565 -0.709 . . . . 1.84 109.677 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.615 HG11 ' CE1' ' A' ' 50' ' ' TYR . 88.6 t -109.44 87.64 5.38 Favored Pre-proline 0 C--N 1.312 -1.061 0 O-C-N 120.925 -1.11 . . . . 1.85 109.946 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -64.14 -12.67 33.59 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.824 1.434 . . . . 1.61 109.101 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' GLN . 28.4 t -94.82 25.2 4.21 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.512 -0.922 . . . . 2.26 108.512 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.569 ' O ' ' CB ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -46.19 -24.49 0.46 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.497 -0.752 . . . . 2.26 109.076 179.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.569 ' CB ' ' O ' ' A' ' 33' ' ' LEU . 1.4 tt0 79.32 70.81 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.337 -1.357 . . . . 4.09 107.337 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' O ' ' CG ' ' A' ' 36' ' ' GLU . . . 109.34 -22.86 23.99 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 106.964 -2.454 . . . . 2.61 106.964 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 10.3 pt-20 35.15 34.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.982 -0.717 . . . . 3.47 111.334 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.95 19.69 4.71 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.392 -0.818 . . . . 4.33 108.943 178.681 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.52 ' HA ' ' HB3' ' A' ' 42' ' ' GLN . . . -52.95 116.39 2.33 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.471 -0.768 . . . . 3.7 111.62 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -73.88 -84.43 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 4.98 109.248 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' O ' ' CE2' ' A' ' 23' ' ' PHE . 16.5 mmm-85 -128.63 -56.91 1.21 Allowed 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.679 -0.86 . . . . 7.19 108.679 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.562 ' N ' HD12 ' B' ' 19' ' ' ILE . . . -78.96 -32.84 45.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.684 -0.635 . . . . 3.09 109.927 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -57.71 -22.79 48.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.369 -0.832 . . . . 2.84 109.946 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 4.9 mt -63.83 -28.28 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.576 -1.268 . . . . 3.42 107.576 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.629 HD23 ' CE1' ' B' ' 23' ' ' PHE . 1.3 mp -86.93 -45.08 11.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.535 -0.757 . . . . 2.14 110.191 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -43.18 -47.38 6.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 2.29 108.998 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.557 ' CB ' ' CD1' ' A' ' 33' ' ' LEU . 8.0 mmtp -78.4 -56.41 4.47 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.686 -0.857 . . . . 3.18 108.686 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' ' 44' ' ' LEU . . . -35.72 -45.69 0.39 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 1.29 110.487 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.53 ' CG2' ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -70.78 -50.96 30.22 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 2.28 110.561 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 78.6 mt-10 -51.5 -29.79 17.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -0.833 . . . . 2.26 110.107 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.615 ' CE1' HG11 ' A' ' 30' ' ' VAL . 6.0 m-85 -75.22 -44.32 46.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.851 . . . . 2.82 110.582 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG23 ' CG2' ' B' ' 30' ' ' VAL . 78.2 mt -62.44 -75.29 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 1.41 110.543 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ILE . 7.0 pt20 -43.9 -34.48 1.66 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 2.69 110.241 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 8.0 t80 -70.69 -46.01 63.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 2.53 110.054 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -67.74 -53.18 29.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 1.4 110.249 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.39 -43.91 16.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.095 -1.003 . . . . 3.11 109.959 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -55.4 10.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.231 -0.918 . . . . 3.1 110.139 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' CG ' HD12 ' A' ' 61' ' ' LEU . 7.5 tttt -58.92 -44.97 91.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.922 . . . . 2.84 110.04 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 54' ' ' MET . 99.4 t -54.08 -51.98 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -0.907 . . . . 2.06 109.977 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.88 -51.48 60.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 2.74 109.875 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 57' ' ' LYS . 3.2 p -62.58 -49.81 73.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.297 -0.877 . . . . 1.99 109.889 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.483 HD12 ' CG ' ' A' ' 57' ' ' LYS . 7.8 mt -55.99 -59.92 4.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 1.51 109.83 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 65' ' ' ILE . 45.7 tp60 -43.97 -58.15 2.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 1.85 109.963 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -45.64 -33.06 2.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 2.14 109.721 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -22.17 56.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.831 . . . . 1.43 109.821 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 62' ' ' GLN . 2.5 mt -80.83 -48.24 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 1.29 109.35 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.38 -40.55 96.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 2.02 109.532 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.05 -52.58 64.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.32 -0.863 . . . . 1.6 109.663 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 45.6 mt -60.71 -43.6 97.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 1.26 109.65 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -50.8 14.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 2.8 109.806 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.474 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.08 -38.78 83.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.414 -0.803 . . . . 3.58 110.305 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 74' ' ' LEU . 13.9 mm100 -56.7 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.153 -0.967 . . . . 2.05 110.626 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 71' ' ' GLN . 1.3 t-20 -36.21 -31.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 1.08 110.763 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -75.06 -37.15 61.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 1.4 110.265 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' GLN . 6.3 mp -80.12 -38.88 30.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 2.4 110.958 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' B' ' 75' ' ' LEU . 4.3 mp -63.26 -41.93 99.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.845 -1.159 . . . . 1.15 109.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HB2' ' CD2' ' B' ' 75' ' ' LEU . 9.1 tt0 -66.8 -38.42 86.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.65 110.111 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 69.5 tp60 -70.49 -2.56 14.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 2.38 110.245 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.527 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 6.1 tp60 -103.0 -47.44 4.36 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.679 -1.23 . . . . 2.21 107.679 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.69 -30.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 108.735 -0.839 . . . . 1.32 108.735 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.6 mtt-85 -99.32 -14.33 19.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.471 -0.768 . . . . 3.3 109.683 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 78' ' ' GLN . . . -68.03 -63.93 0.96 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.24 -0.913 . . . . 1.53 110.202 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 78' ' ' GLN . 0.1 OUTLIER -45.99 -93.5 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.239 -0.913 . . . . 2.15 110.131 -179.736 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.507 ' CG ' ' HB3' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -79.08 -178.73 6.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.968 -1.082 . . . . 1.9 110.214 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.55 -34.02 60.48 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.558 -1.417 . . . . 1.64 109.558 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' GLY . 3.0 m -155.28 88.61 1.16 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.244 -1.151 . . . . 2.85 110.401 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' SER . . . 41.23 90.7 0.01 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.825 -1.31 . . . . 2.23 109.825 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.507 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 31.7 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.214 -1.168 . . . . 2.16 110.291 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttm . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.216 0.532 . . . . 3.58 110.224 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 3' ' ' ASP . . . -163.65 -171.21 2.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 2.02 110.264 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 3' ' ' ASP . 30.1 p-10 -43.07 133.22 3.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.254 -0.904 . . . . 2.89 110.144 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -91.58 169.79 10.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.294 -0.879 . . . . 2.92 110.421 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 22.0 ttp85 -177.07 -72.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.311 -0.868 . . . . 2.77 110.172 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 42.82 -147.15 0.05 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.247 -0.908 . . . . 1.64 110.295 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -115.22 63.19 0.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -0.913 . . . . 2.56 110.308 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.11 92.48 0.98 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.27 -0.894 . . . . 3.23 110.109 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.98 -48.5 1.22 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 2.24 110.315 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . 175.4 55.81 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.898 . . . . 2.28 110.276 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' B' ' 12' ' ' GLU . 2.6 mp -60.29 -85.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.22 -0.925 . . . . 2.71 110.213 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 14' ' ' LYS . 7.7 pt-20 175.61 -41.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.164 -0.96 . . . . 3.16 110.119 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' B' ' 12' ' ' GLU . 7.4 ttm180 43.72 -95.48 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.35 -0.844 . . . . 4.73 109.903 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' B' ' 12' ' ' GLU . 15.9 mmtt -98.92 -90.74 0.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.063 -1.023 . . . . 4.99 110.146 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -153.34 54.94 0.75 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 5.24 109.844 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.74 -55.7 3.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.881 . . . . 4.24 110.618 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -94.33 6.1 49.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.252 -0.905 . . . . 5.59 110.412 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.9 OUTLIER -56.2 -64.66 0.79 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.125 -0.985 . . . . 4.76 109.998 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.664 ' CG2' ' CE1' ' B' ' 23' ' ' PHE . 1.9 mm -47.5 -77.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.906 . . . . 2.77 109.876 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' B' ' 19' ' ' ILE . 2.2 mtmm -28.59 -40.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 121.253 0.549 . . . . 3.27 111.1 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -57.47 -63.09 1.35 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.831 -1.168 . . . . 2.72 108.234 178.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.448 ' O ' ' HB2' ' B' ' 25' ' ' SER . 0.6 OUTLIER -55.62 -44.25 76.9 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.155 -1.054 . . . . 2.0 108.155 178.052 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.664 ' CE1' ' CG2' ' B' ' 19' ' ' ILE . 2.7 m-30 -45.19 -60.92 1.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.584 -0.895 . . . . 2.5 108.584 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' PHE . 54.6 t-80 -40.72 -37.06 0.69 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.359 0.6 . . . . 3.07 109.679 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' B' ' 29' ' ' SER . 0.1 OUTLIER -62.85 -41.34 99.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.448 -0.783 . . . . 1.91 110.228 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.564 ' CD1' ' HB3' ' A' ' 44' ' ' LEU . 1.8 mp -75.3 -41.39 57.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.081 -1.012 . . . . 2.17 109.7 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.467 ' HG3' HD13 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -45.95 -45.86 15.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.85 109.871 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -96.13 15.24 21.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 1.76 109.415 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.495 ' CB ' ' HA ' ' B' ' 26' ' ' LEU . 30.4 t -91.08 -52.0 5.05 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.442 -0.786 . . . . 1.38 109.81 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.582 HG11 ' CZ ' ' B' ' 50' ' ' TYR . 91.6 t -109.86 86.87 5.13 Favored Pre-proline 0 C--N 1.303 -1.449 0 O-C-N 121.144 -0.972 . . . . 1.51 110.197 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -63.97 -12.77 33.68 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 O-C-N 123.944 1.497 . . . . 1.77 109.334 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.426 ' C ' ' N ' ' B' ' 34' ' ' GLN . 28.1 t -94.76 25.16 4.2 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.513 -0.921 . . . . 2.43 108.513 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.583 ' O ' ' CB ' ' B' ' 34' ' ' GLN . 0.0 OUTLIER -46.15 -24.6 0.47 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.489 -0.757 . . . . 1.72 109.17 179.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.583 ' CB ' ' O ' ' B' ' 33' ' ' LEU . 1.4 tt0 79.42 70.68 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.325 -1.361 . . . . 3.67 107.325 -177.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' B' ' 36' ' ' GLU . . . 109.4 -22.75 24.03 Favored Glycine 0 N--CA 1.485 1.907 0 N-CA-C 107.026 -2.43 . . . . 2.06 107.026 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.496 ' HA ' ' HB3' ' B' ' 33' ' ' LEU . 10.3 pt-20 35.07 34.78 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.957 -0.731 . . . . 2.87 111.333 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' B' ' 35' ' ' GLY . 0.0 OUTLIER -90.07 19.6 4.86 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.352 -0.842 . . . . 4.1 108.908 178.748 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.522 ' HA ' ' HB3' ' B' ' 42' ' ' GLN . . . -52.73 116.39 2.29 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.471 -0.768 . . . . 2.2 111.574 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -74.09 -84.45 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.402 -0.812 . . . . 2.99 109.287 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.561 ' O ' ' CE2' ' B' ' 23' ' ' PHE . 16.7 mmm-85 -128.62 -57.15 1.2 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.594 -0.891 . . . . 4.88 108.594 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.526 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . . . -78.38 -33.32 48.94 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.728 -0.607 . . . . 2.0 110.044 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.522 ' HB3' ' HA ' ' B' ' 38' ' ' ALA . 0.1 OUTLIER -57.49 -23.01 47.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.304 -0.873 . . . . 2.48 110.006 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.475 ' O ' ' HB1' ' B' ' 47' ' ' ALA . 4.3 mt -63.77 -28.3 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 107.594 -1.261 . . . . 3.05 107.594 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.634 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 1.2 mp -86.96 -44.94 11.24 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.579 -0.737 . . . . 2.23 110.192 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' B' ' 44' ' ' LEU . 0.4 OUTLIER -43.24 -47.53 6.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.397 -0.814 . . . . 2.49 109.012 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.562 ' CB ' ' CD1' ' B' ' 33' ' ' LEU . 7.9 mmtp -78.3 -56.05 4.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.819 -0.808 . . . . 2.55 108.819 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' B' ' 44' ' ' LEU . . . -36.99 -44.63 0.52 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.545 -0.722 . . . . 1.21 110.729 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.509 ' OG1' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -70.99 -50.77 30.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.172 -0.955 . . . . 2.39 110.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' B' ' 53' ' ' TYR . 77.5 mt-10 -51.53 -29.78 18.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.27 110.085 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.582 ' CZ ' HG11 ' B' ' 30' ' ' VAL . 5.9 m-85 -75.16 -44.4 46.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 2.67 110.587 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.424 HG21 HG21 ' A' ' 30' ' ' VAL . 77.8 mt -62.36 -75.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.096 -1.002 . . . . 1.82 110.549 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' B' ' 51' ' ' ILE . 7.1 pt20 -43.9 -34.47 1.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 2.49 110.224 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' B' ' 49' ' ' GLU . 7.7 t80 -70.72 -46.03 63.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 2.31 110.013 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' B' ' 50' ' ' TYR . 0.5 OUTLIER -67.75 -53.14 29.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.313 -0.867 . . . . 1.62 110.249 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.48 -43.82 17.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.14 -0.975 . . . . 3.05 109.95 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -55.36 10.78 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 3.61 110.12 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.436 ' CG ' HD12 ' B' ' 61' ' ' LEU . 7.9 tttt -58.85 -45.02 91.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -0.903 . . . . 2.16 110.028 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' B' ' 54' ' ' MET . 99.2 t -54.16 -51.86 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 1.46 109.968 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.96 -51.46 61.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 2.39 109.841 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' B' ' 57' ' ' LYS . 3.3 p -62.56 -49.77 73.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.353 -0.842 . . . . 1.42 109.945 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.46 ' O ' HG13 ' B' ' 65' ' ' ILE . 7.8 mt -56.12 -59.85 4.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 1.66 109.795 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' B' ' 65' ' ' ILE . 47.5 tp60 -43.75 -58.41 2.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 1.58 109.895 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.58 -32.95 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 1.81 109.765 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.402 ' O ' HD12 ' B' ' 68' ' ' LEU . 0.4 OUTLIER -76.23 -22.02 55.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.341 -0.849 . . . . 1.39 109.794 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.498 ' CD1' HG12 ' A' ' 65' ' ' ILE . 2.4 mt -81.07 -48.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.417 -0.802 . . . . 1.33 109.337 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.37 -40.53 96.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.344 -0.848 . . . . 1.77 109.515 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.02 -52.82 63.75 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 1.88 109.594 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.505 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 45.6 mt -60.55 -43.55 97.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.91 . . . . 1.6 109.696 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.459 ' O ' ' OD1' ' B' ' 72' ' ' ASN . 0.0 OUTLIER -45.98 -50.84 14.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 2.71 109.857 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.468 ' O ' HD11 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.16 -38.62 83.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.413 -0.804 . . . . 3.19 110.353 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' B' ' 74' ' ' LEU . 13.9 mm100 -56.86 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.146 -0.971 . . . . 2.14 110.691 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' B' ' 68' ' ' LEU . 2.6 p30 -37.67 -29.99 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.394 -0.816 . . . . 0.96 110.793 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -75.39 -37.17 60.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 1.23 110.087 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 71' ' ' GLN . 6.2 mp -80.21 -38.83 30.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 1.91 110.913 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 4.5 mp -63.39 -41.82 98.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.786 -1.196 . . . . 1.34 109.796 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 9.4 tt0 -66.82 -38.21 86.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 1.35 110.12 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.48 ' O ' ' HB1' ' B' ' 81' ' ' ALA . 69.4 tp60 -70.73 -2.45 14.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.284 -0.885 . . . . 2.32 110.202 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.526 ' O ' ' CD2' ' B' ' 82' ' ' LEU . 6.1 tp60 -103.07 -47.45 4.34 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.721 -1.215 . . . . 2.02 107.721 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.69 -30.86 5.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.646 -0.872 . . . . 1.52 108.646 177.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -99.35 -14.21 19.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.462 -0.773 . . . . 3.22 109.678 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.48 ' HB1' ' O ' ' B' ' 77' ' ' GLN . . . -68.28 -63.81 0.99 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.225 -0.922 . . . . 1.52 110.174 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' B' ' 78' ' ' GLN . 0.2 OUTLIER -45.89 -93.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -0.955 . . . . 1.69 110.153 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.491 ' CG ' ' HB3' ' B' ' 87' ' ' CYS . 0.0 OUTLIER -79.07 -178.69 6.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.968 -1.082 . . . . 2.26 110.247 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.53 -33.96 60.6 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.575 -1.41 . . . . 1.76 109.575 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.445 ' O ' ' C ' ' B' ' 86' ' ' GLY . 3.0 m -155.33 88.64 1.16 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.185 -1.185 . . . . 3.17 110.432 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' B' ' 85' ' ' SER . . . 41.27 90.5 0.01 OUTLIER Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.908 -1.277 . . . . 2.55 109.908 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' CYS . . . . . 0.491 ' HB3' ' CG ' ' B' ' 83' ' ' GLU . 32.0 p . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.225 -1.162 . . . . 3.46 110.19 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.261 0.553 . . . . 3.94 110.163 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.93 46.71 2.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.208 -0.932 . . . . 3.23 110.256 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 30.6 t70 -164.9 75.9 0.28 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.17 -0.956 . . . . 2.54 110.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 60.9 115.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -0.925 . . . . 3.42 110.274 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -55.91 -80.51 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.266 -0.896 . . . . 3.03 110.187 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 7' ' ' HIS . . . -171.96 178.73 2.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.255 -0.903 . . . . 1.95 110.176 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 10.1 t-160 62.79 57.67 1.7 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.86 . . . . 3.66 110.08 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -153.79 74.05 0.98 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.293 -0.879 . . . . 4.42 110.162 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -87.08 176.26 7.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.302 -0.874 . . . . 3.35 110.157 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.89 160.04 20.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.212 -0.93 . . . . 2.17 110.149 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -96.18 -16.26 21.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.269 -0.894 . . . . 3.29 110.163 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.56 120.76 21.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 4.04 110.219 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.54 159.2 0.07 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.215 -0.928 . . . . 3.14 110.192 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -110.19 149.87 29.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.252 -0.905 . . . . 3.81 110.457 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -98.07 -15.43 20.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.897 . . . . 3.93 110.34 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -49.98 12.14 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.192 -0.942 . . . . 3.78 110.036 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -84.93 15.16 4.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 3.81 109.722 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -66.21 0.54 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.372 -0.83 . . . . 6.84 110.589 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.641 ' CG2' ' CB ' ' B' ' 41' ' ' ALA . 3.3 pt -55.16 -58.22 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 118.346 -1.342 . . . . 2.08 109.694 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' C ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -27.77 -52.88 0.08 Allowed 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.546 -0.721 . . . . 5.15 110.311 179.019 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.3 m-20 -55.18 -60.28 3.6 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.827 -1.175 . . . . 2.76 107.827 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ILE . 1.5 t -57.06 -47.02 81.99 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.159 -1.052 . . . . 1.99 108.159 177.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.498 ' HB2' ' CA ' ' A' ' 20' ' ' LYS . 1.2 m-85 -43.99 -56.64 3.82 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.646 -0.872 . . . . 2.73 108.646 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' A' ' 21' ' ' ASP . 3.9 t-80 -42.61 -47.48 5.24 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.694 -0.802 . . . . 2.77 108.901 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -63.14 -49.54 73.98 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.332 -0.947 . . . . 1.87 108.508 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' HB3' ' CB ' ' A' ' 43' ' ' ILE . 0.4 OUTLIER -54.05 -37.79 64.53 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.399 -0.963 . . . . 2.37 108.399 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -53.2 -32.98 50.79 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.089 -1.078 . . . . 2.66 108.089 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 25' ' ' SER . 36.4 t70 -67.65 -26.1 66.05 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.901 -0.777 . . . . 2.29 108.901 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 49.4 m -66.25 -76.18 0.08 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.517 -0.92 . . . . 1.84 108.517 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.08 105.16 54.83 Favored Pre-proline 0 C--N 1.312 -1.062 0 O-C-N 120.932 -1.105 . . . . 1.85 108.808 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 32' ' ' SER . 39.3 Cg_endo -65.16 114.4 2.81 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.84 1.442 . . . . 1.61 109.93 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 66.05 9.72 6.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.334 -0.854 . . . . 2.26 109.067 -178.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.565 ' CD1' ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER 71.11 -0.17 3.18 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.643 0.735 . . . . 2.26 111.11 -179.666 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 46.94 37.46 4.99 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.564 -0.71 . . . . 4.09 111.555 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.9 -45.1 0.86 Allowed Glycine 0 N--CA 1.492 2.424 0 C-N-CA 119.247 -1.454 . . . . 2.61 110.683 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HB2' ' CG ' ' A' ' 33' ' ' LEU . 4.7 mm-40 -68.72 135.06 50.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.005 -1.291 . . . . 3.47 110.506 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 38' ' ' ALA . 21.8 mmtm -52.14 -20.56 2.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 4.33 109.264 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.553 ' CB ' ' HB3' ' A' ' 42' ' ' GLN . . . 44.52 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.495 -0.753 . . . . 3.7 111.628 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.523 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 1.4 p -112.01 -78.52 0.58 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.155 -0.965 . . . . 4.98 110.489 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' O ' ' OE1' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -107.96 -52.25 2.79 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.349 -0.982 . . . . 7.19 108.349 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.654 ' HA ' ' HG ' ' A' ' 44' ' ' LEU . . . -93.16 35.16 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.912 -1.144 . . . . 3.09 107.912 177.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.553 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -41.18 -64.56 0.53 Allowed 'General case' 0 C--N 1.291 -1.956 0 CA-C-O 121.525 0.678 . . . . 2.84 110.319 -178.499 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.1 mp -72.79 -21.06 19.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 C-N-CA 118.878 -1.129 . . . . 3.42 109.986 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.654 ' HG ' ' HA ' ' A' ' 41' ' ' ALA . 3.6 mt -61.72 -52.9 62.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.513 -1.367 . . . . 2.14 107.973 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -50.17 -55.1 16.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.17 -0.956 . . . . 2.29 108.576 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -64.09 -63.61 1.11 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.285 -0.884 . . . . 3.18 109.429 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 43' ' ' ILE . . . -33.75 -55.65 0.46 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.937 -0.477 . . . . 1.29 111.204 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.51 ' OG1' ' HG ' ' B' ' 26' ' ' LEU . 1.2 m -55.14 -53.0 61.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.12 -0.987 . . . . 2.28 110.857 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.548 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -63.22 -24.53 67.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.118 -0.989 . . . . 2.26 110.552 -179.217 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.548 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 1.9 m-30 -78.55 -51.1 10.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.132 -0.98 . . . . 2.82 110.403 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' B' ' 47' ' ' ALA . 23.6 mt -52.43 -56.29 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 1.41 110.444 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -65.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.177 -0.952 . . . . 2.69 110.344 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.473 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -46.9 -63.25 1.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 2.53 110.272 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.467 ' CB ' ' SD ' ' B' ' 54' ' ' MET . 40.7 mtt -45.79 -72.61 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 1.4 111.191 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' MET . 1.6 ttp180 -39.49 -49.16 2.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.319 -0.863 . . . . 3.11 110.971 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 3.1 110.472 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -51.14 -45.52 61.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 2.84 110.521 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 30.2 t -40.82 -59.94 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 2.06 110.611 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.56 -60.39 3.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 2.74 110.584 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.2 m -52.65 -51.44 60.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 1.99 110.566 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 57' ' ' LYS . 12.0 mt -49.56 -65.93 0.48 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 1.51 110.757 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.502 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.37 2.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.322 -0.861 . . . . 1.85 110.662 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.03 -39.2 1.85 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -0.938 . . . . 2.14 110.35 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -28.48 62.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 1.43 110.033 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.502 HG13 ' HA ' ' A' ' 62' ' ' GLN . 1.8 mt -74.16 -32.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.327 -0.858 . . . . 1.29 109.503 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -54.88 11.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 2.02 110.034 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -52.62 -35.06 53.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -0.9 . . . . 1.6 110.15 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 1.6 mm? -68.19 -68.9 0.36 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 1.26 110.94 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.551 ' HA ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -40.77 -31.06 0.14 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.747 . . . . 2.8 110.214 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.524 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.54 -47.94 62.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.271 -0.893 . . . . 3.58 110.164 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 73' ' ' ALA . 88.6 mm-40 -60.48 -76.05 0.05 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.317 -0.864 . . . . 2.05 110.672 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.551 ' ND2' ' HA ' ' A' ' 69' ' ' LYS . 1.2 p30 -39.14 -26.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.29 -0.881 . . . . 1.08 110.645 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -73.61 -48.01 35.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.94 -1.1 . . . . 1.4 109.118 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.524 ' CD1' ' O ' ' A' ' 70' ' ' ARG . 1.2 mt -73.48 -36.16 65.77 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.747 . . . . 2.4 109.296 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.567 ' HB3' ' HB3' ' B' ' 75' ' ' LEU . 0.4 OUTLIER -57.87 -54.28 48.71 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.426 -0.796 . . . . 1.15 109.36 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 3.6 mt-10 -52.69 -46.24 67.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.491 -0.756 . . . . 1.65 110.074 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -53.45 -19.35 3.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 2.38 109.99 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.492 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 1.3 tt0 -106.13 -43.28 4.86 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.191 -1.04 . . . . 2.21 108.191 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.523 HG23 ' CG2' ' B' ' 79' ' ' VAL . 0.9 OUTLIER -53.67 -37.58 32.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 115.833 -0.621 . . . . 1.32 109.627 178.562 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -98.55 -29.82 12.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 3.3 110.332 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' GLN . . . -49.39 -46.08 46.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.058 -1.027 . . . . 1.53 110.247 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER -79.09 -40.54 30.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.2 -0.938 . . . . 2.15 110.366 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.02 64.6 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.209 -0.932 . . . . 1.9 110.287 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -141.36 -39.48 0.08 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.561 -1.416 . . . . 1.64 109.561 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -141.0 35.97 1.75 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -1.169 . . . . 2.85 110.311 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 87' ' ' CYS . . . 44.22 73.81 0.24 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.604 -1.398 . . . . 2.23 109.604 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.473 ' C ' ' O ' ' A' ' 86' ' ' GLY . 14.1 p . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 117.96 -1.019 . . . . 2.16 110.907 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.23 0.538 . . . . 3.58 110.219 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.94 46.72 2.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.267 -0.895 . . . . 2.02 110.172 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' B' ' 4' ' ' LYS . 30.7 t70 -164.87 75.84 0.28 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.21 -0.931 . . . . 2.89 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' B' ' 3' ' ' ASP . 0.0 OUTLIER 60.96 115.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.204 -0.935 . . . . 2.92 110.217 179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -55.89 -80.54 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.237 -0.914 . . . . 2.77 110.191 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' B' ' 7' ' ' HIS . . . -171.85 178.76 2.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.299 -0.875 . . . . 1.64 110.242 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' B' ' 6' ' ' ALA . 10.0 t-160 62.73 57.71 1.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.276 -0.89 . . . . 2.56 110.098 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -153.8 74.01 0.97 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.28 -0.887 . . . . 3.23 110.172 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -87.02 176.32 7.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.295 -0.878 . . . . 2.24 110.168 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.89 159.93 20.24 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 2.28 110.147 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -96.06 -16.25 21.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.212 -0.93 . . . . 2.71 110.21 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.58 120.78 21.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.249 -0.907 . . . . 3.16 110.253 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.45 159.25 0.06 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.263 -0.898 . . . . 4.73 110.191 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -110.33 149.76 29.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 4.99 110.423 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -97.96 -15.42 20.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.286 -0.884 . . . . 5.24 110.365 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -49.9 12.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.954 . . . . 4.24 110.052 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 17' ' ' ASP . 0.9 OUTLIER -84.94 15.11 4.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.279 -0.888 . . . . 5.59 109.738 179.429 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -66.17 0.55 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.412 -0.805 . . . . 4.76 110.63 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.653 ' CG2' ' CB ' ' A' ' 41' ' ' ALA . 3.3 pt -55.03 -58.4 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 118.438 -1.305 . . . . 2.77 109.667 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 19' ' ' ILE . 0.8 OUTLIER -27.76 -52.77 0.08 Allowed 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.548 -0.72 . . . . 3.27 110.355 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 6.4 m-20 -55.3 -60.25 3.66 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.836 -1.172 . . . . 2.72 107.836 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' B' ' 19' ' ' ILE . 1.5 t -57.01 -47.1 81.68 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.124 -1.065 . . . . 2.0 108.124 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.491 ' HB2' ' CA ' ' B' ' 20' ' ' LYS . 1.1 m-85 -43.96 -56.69 3.77 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.618 -0.882 . . . . 2.5 108.618 178.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' B' ' 21' ' ' ASP . 3.9 t-80 -42.64 -47.45 5.29 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.714 -0.795 . . . . 3.07 108.887 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' B' ' 28' ' ' ASP . 0.1 OUTLIER -63.07 -49.62 73.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.487 -0.931 . . . . 1.91 108.487 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' CB ' ' B' ' 43' ' ' ILE . 0.4 OUTLIER -53.99 -37.85 64.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.375 -0.972 . . . . 2.17 108.375 178.43 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -53.24 -32.92 50.71 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.137 -1.06 . . . . 2.85 108.137 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' B' ' 25' ' ' SER . 36.4 t70 -67.66 -26.46 66.22 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 108.921 -0.77 . . . . 1.76 108.921 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' B' ' 26' ' ' LEU . 49.7 m -66.0 -74.78 0.1 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.599 -0.841 . . . . 1.38 108.794 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.529 HG13 ' HA ' ' B' ' 33' ' ' LEU . 1.4 t -108.17 104.59 54.24 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 1.51 109.114 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' B' ' 32' ' ' SER . 39.5 Cg_endo -65.15 114.26 2.75 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 O-C-N 123.921 1.485 . . . . 1.77 109.984 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' B' ' 33' ' ' LEU . 0.5 OUTLIER 66.11 9.85 6.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 2.43 109.143 -178.524 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.541 ' CD1' ' HB2' ' B' ' 36' ' ' GLU . 0.2 OUTLIER 71.16 -0.32 3.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.527 -0.733 . . . . 1.72 110.937 -179.726 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 46.85 37.31 4.69 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.578 -0.701 . . . . 3.67 111.469 178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.68 -44.21 0.92 Allowed Glycine 0 N--CA 1.49 2.299 0 C-N-CA 119.241 -1.457 . . . . 2.06 110.779 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.541 ' HB2' ' CD1' ' B' ' 33' ' ' LEU . 4.7 mm-40 -69.53 135.33 49.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.916 -1.343 . . . . 2.87 110.506 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' B' ' 38' ' ' ALA . 21.6 mmtm -51.97 -21.09 2.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 4.1 109.195 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.558 ' CB ' ' HB3' ' B' ' 42' ' ' GLN . . . 44.97 98.83 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.504 -0.747 . . . . 2.2 111.595 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.528 ' N ' ' HG3' ' B' ' 42' ' ' GLN . 1.4 p -111.94 -78.5 0.58 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.185 -0.947 . . . . 2.99 110.541 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.465 ' O ' ' OE1' ' B' ' 42' ' ' GLN . 0.0 OUTLIER -107.98 -52.33 2.78 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.36 -0.978 . . . . 4.88 108.36 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.641 ' CB ' ' CG2' ' A' ' 19' ' ' ILE . . . -93.27 35.25 1.09 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.793 -1.188 . . . . 2.0 107.793 177.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.558 ' HB3' ' CB ' ' B' ' 38' ' ' ALA . 0.0 OUTLIER -41.24 -64.39 0.56 Allowed 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.456 0.646 . . . . 2.48 110.343 -178.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.57 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 1.0 OUTLIER -72.91 -20.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 C-N-CA 118.905 -1.118 . . . . 3.05 109.981 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.649 ' CD2' ' CD2' ' A' ' 44' ' ' LEU . 3.5 mt -61.77 -52.88 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.492 -1.38 . . . . 2.23 107.987 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -50.23 -55.13 16.58 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.149 -0.969 . . . . 2.49 108.548 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.529 ' HB2' ' CD1' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -63.97 -63.75 1.07 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.521 -0.871 . . . . 2.55 109.482 178.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -34.23 -55.06 0.51 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.845 -0.535 . . . . 1.21 111.434 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' B' ' 44' ' ' LEU . 1.2 m -55.08 -53.08 60.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.048 -1.032 . . . . 2.39 110.713 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.544 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 0.1 OUTLIER -63.16 -24.57 67.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 2.27 110.583 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.544 ' N ' ' HG3' ' B' ' 49' ' ' GLU . 1.9 m-30 -78.52 -51.18 10.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.126 -0.984 . . . . 2.67 110.422 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 24.0 mt -52.43 -56.24 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 1.82 110.397 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -65.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 2.49 110.341 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -46.92 -63.12 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 2.31 110.25 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.467 ' SD ' ' CB ' ' A' ' 54' ' ' MET . 40.8 mtt -45.84 -72.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 1.62 111.174 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' B' ' 54' ' ' MET . 1.5 ttp180 -39.37 -49.22 1.99 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.263 -0.898 . . . . 3.05 110.939 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.35 -73.21 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 3.61 110.502 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -51.15 -45.58 61.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 2.16 110.57 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' B' ' 57' ' ' LYS . 29.2 t -40.76 -60.04 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.29 -0.881 . . . . 1.46 110.583 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.48 -60.37 3.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.918 . . . . 2.39 110.629 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 94.1 m -52.78 -51.36 60.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.181 -0.95 . . . . 1.42 110.552 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' B' ' 57' ' ' LYS . 12.0 mt -49.6 -65.94 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.232 -0.918 . . . . 1.66 110.686 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.497 ' HA ' HG13 ' B' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.33 2.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.325 -0.859 . . . . 1.58 110.626 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' B' ' 62' ' ' GLN . 0.0 OUTLIER -41.95 -39.37 1.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 1.81 110.398 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -28.48 62.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 1.39 110.066 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.497 HG13 ' HA ' ' B' ' 62' ' ' GLN . 1.9 mt -74.19 -32.67 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.31 -0.869 . . . . 1.33 109.497 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -54.93 11.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 1.77 110.012 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -52.55 -35.14 53.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 1.88 110.157 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 68' ' ' LEU . 1.7 mm? -68.18 -69.01 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.242 -0.911 . . . . 1.6 110.952 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.521 ' N ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.67 -30.72 0.13 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.439 -0.788 . . . . 2.71 110.317 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -69.92 -47.93 60.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 3.19 110.092 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' B' ' 73' ' ' ALA . 88.8 mm-40 -60.4 -75.88 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 2.14 110.696 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.493 ' N ' HD11 ' B' ' 75' ' ' LEU . 9.3 p-10 -38.77 -27.12 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.281 -0.887 . . . . 0.96 110.706 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -73.59 -47.96 36.37 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 1.23 109.155 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 1.2 mt -73.59 -36.04 65.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.531 -0.731 . . . . 1.91 109.316 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.567 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -57.93 -54.12 50.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.404 -0.81 . . . . 1.34 109.356 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.46 ' HA ' ' HB ' ' B' ' 79' ' ' VAL . 3.5 mt-10 -52.91 -46.25 67.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 1.35 109.982 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -53.39 -19.29 3.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.197 -0.939 . . . . 2.32 110.001 179.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.492 ' HA ' ' HB1' ' B' ' 81' ' ' ALA . 1.3 tt0 -106.17 -43.33 4.84 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.155 -1.054 . . . . 2.02 108.155 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.523 ' CG2' HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -53.65 -37.63 32.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 CA-C-N 115.81 -0.632 . . . . 1.52 109.649 178.608 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -98.51 -29.78 12.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 3.22 110.386 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' B' ' 77' ' ' GLN . . . -49.42 -46.07 47.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.035 -1.041 . . . . 1.52 110.262 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' B' ' 84' ' ' GLY . 0.4 OUTLIER -79.15 -40.42 30.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.18 -0.95 . . . . 1.69 110.391 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 64.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.182 -0.948 . . . . 2.26 110.294 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 82' ' ' LEU . . . -141.32 -39.38 0.08 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.575 -1.41 . . . . 1.76 109.575 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.421 ' O ' ' C ' ' B' ' 86' ' ' GLY . 0.2 OUTLIER -141.01 36.0 1.75 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.242 -1.152 . . . . 3.17 110.241 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' B' ' 87' ' ' CYS . . . 44.2 73.78 0.24 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.608 -1.397 . . . . 2.55 109.608 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' CYS . . . . . 0.474 ' C ' ' O ' ' B' ' 86' ' ' GLY . 14.2 p . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 118.006 -0.997 . . . . 3.46 110.887 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.25 0.548 . . . . 3.94 110.199 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.91 99.12 0.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.845 . . . . 3.23 110.162 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -112.86 61.27 0.64 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 2.54 110.198 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -111.29 -172.2 1.98 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.232 -0.918 . . . . 3.42 110.229 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.82 162.8 13.26 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 3.03 110.176 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.15 132.16 56.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -0.904 . . . . 1.95 110.126 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.89 -58.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 3.66 110.379 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 10' ' ' ALA . 16.3 m-70 -86.75 174.21 8.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 4.42 110.313 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 8' ' ' HIS . 45.1 m-80 60.47 -73.52 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.487 -0.758 . . . . 3.35 110.662 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' HIS . . . 58.64 176.41 0.07 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.21 -0.931 . . . . 2.17 109.967 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.91 61.91 3.24 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -0.925 . . . . 3.29 110.261 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -150.79 119.56 6.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 4.04 110.294 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.14 -152.74 0.52 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.874 . . . . 3.14 109.913 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.11 14.86 9.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 3.81 110.188 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' NE ' ' B' ' 40' ' ' ARG . 40.9 mtp180 -134.22 -24.09 1.65 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.231 -0.918 . . . . 3.93 110.915 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -122.78 31.32 6.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.774 -1.204 . . . . 3.78 110.104 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 28.1 t0 -132.9 -59.56 0.89 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.359 -0.838 . . . . 3.81 110.089 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -39.41 -73.1 0.05 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.448 -0.783 . . . . 6.84 110.981 -179.655 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.625 ' CD1' HD12 ' B' ' 44' ' ' LEU . 31.4 mm -43.92 -78.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.101 -1.0 . . . . 2.08 108.78 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 19.0 mttp -32.69 -44.47 0.11 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.579 -0.701 . . . . 5.15 110.459 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 3.1 t0 -58.99 -57.12 14.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.829 -1.169 . . . . 2.76 108.132 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' LEU . 39.8 m -59.98 -38.32 82.22 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.188 -1.042 . . . . 1.99 108.188 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.697 ' CE1' ' CB ' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -50.84 -61.97 1.89 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.306 -0.998 . . . . 2.73 108.306 178.457 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -44.17 -44.14 7.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.322 -0.951 . . . . 2.77 108.948 179.038 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -70.01 -31.97 69.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.782 . . . . 1.87 108.911 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' C ' HG12 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -77.55 -52.04 9.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.562 -0.711 . . . . 2.37 109.682 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' N ' HG12 ' A' ' 43' ' ' ILE . 4.6 ttm180 -51.48 -39.39 57.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 2.66 109.057 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -77.53 -2.43 35.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.535 -0.728 . . . . 2.29 109.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -88.02 -41.07 13.36 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.353 -0.842 . . . . 1.84 111.566 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.558 ' CG1' ' HG ' ' A' ' 33' ' ' LEU . 92.6 t -120.08 72.49 18.02 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 120.362 -1.461 . . . . 1.85 111.109 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -79.73 2.57 8.28 Favored 'Trans proline' 0 C--N 1.3 -2.001 0 O-C-N 123.802 1.422 . . . . 1.61 108.644 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -110.71 20.24 17.82 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.602 -0.686 . . . . 2.26 110.428 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.558 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -44.77 -49.77 10.47 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.536 -1.283 . . . . 2.26 107.536 178.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 43.4 18.36 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 115.316 -0.856 . . . . 4.09 112.088 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' LEU . . . -154.95 12.58 0.45 Allowed Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.782 -1.327 . . . . 2.61 109.782 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' OE1' ' HB3' ' A' ' 45' ' ' ASP . 5.6 mm-40 -125.43 154.22 42.29 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.118 -1.225 . . . . 3.47 110.193 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 38' ' ' ALA . 3.3 tptm -86.31 22.98 1.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 4.33 109.786 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.598 ' HA ' ' CB ' ' A' ' 42' ' ' GLN . . . 39.77 -168.22 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.869 0.842 . . . . 3.7 112.209 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER 158.8 -162.92 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.297 -1.001 . . . . 4.98 108.297 -179.171 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -49.83 -67.56 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.563 -1.336 . . . . 7.19 109.301 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.697 ' CB ' ' CE1' ' A' ' 23' ' ' PHE . . . -117.89 71.04 0.81 Allowed 'General case' 0 C--N 1.309 -1.162 0 O-C-N 120.853 -1.155 . . . . 3.09 108.471 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.598 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -60.36 -0.97 0.29 Allowed 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.356 -0.838 . . . . 2.84 112.451 -179.237 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.555 HG12 ' N ' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -75.55 -55.18 12.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.059 -1.651 . . . . 3.42 108.561 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.686 HD13 ' CE1' ' B' ' 23' ' ' PHE . 5.3 mt -31.56 -38.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.203 0.525 . . . . 2.14 110.296 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.6 t0 -66.82 -59.04 3.89 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.546 -1.279 . . . . 2.29 107.546 177.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 2.2 mmtt -68.29 -39.71 82.0 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 119.381 -0.928 . . . . 3.18 110.078 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 51' ' ' ILE . . . -52.69 -67.32 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.026 -1.046 . . . . 1.29 110.457 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.523 ' OG1' ' HG ' ' B' ' 26' ' ' LEU . 1.3 m -43.99 -55.19 4.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.064 -1.023 . . . . 2.28 110.659 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.53 71.81 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 118.542 -1.263 . . . . 2.26 110.053 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.545 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 m-85 -66.84 -48.73 67.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 2.82 110.932 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 10.6 mt -50.87 -34.46 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.047 -1.033 . . . . 1.41 110.617 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' TYR . 21.8 mm-40 -89.04 -65.12 1.05 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 2.69 110.337 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.49 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -41.08 -34.03 0.4 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.277 -0.889 . . . . 2.53 110.194 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.458 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 3.7 mmt -81.42 -53.06 6.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.107 -0.996 . . . . 1.4 110.449 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -49.2 -45.92 44.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 3.11 110.175 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.6 -41.24 75.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 3.1 110.168 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.75 -56.53 18.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 2.84 110.07 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.29 -32.46 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 2.06 110.145 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -63.29 -67.56 0.41 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 2.74 110.018 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.4 m -63.11 -27.0 69.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -0.919 . . . . 1.99 110.018 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 64' ' ' ASP . 19.8 mt -69.41 -72.28 0.19 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 1.51 109.934 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.517 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.8 OUTLIER -40.42 -50.61 2.87 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.546 -0.721 . . . . 1.85 110.118 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -32.6 27.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.276 -0.89 . . . . 2.14 109.773 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.2 m-20 -82.72 -21.4 34.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 1.43 109.966 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.541 ' CG1' HD11 ' B' ' 65' ' ' ILE . 2.5 mt -76.46 -38.79 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 1.29 109.16 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -42.92 68.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.825 . . . . 2.02 109.275 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.441 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 12.4 t0 -56.91 -43.7 81.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.367 -0.833 . . . . 1.6 109.509 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.527 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 62.2 mt -68.97 -48.46 63.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 1.26 109.586 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.47 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 10.1 ttmt -48.77 -49.72 37.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.8 109.631 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -59.34 -46.95 87.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.281 -0.887 . . . . 3.58 109.778 179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.52 ' C ' ' CD1' ' A' ' 75' ' ' LEU . 73.2 mt-30 -47.56 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 2.05 110.754 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 68' ' ' LEU . 2.6 p30 -38.6 -26.79 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.201 -0.937 . . . . 1.08 110.967 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -66.57 -35.67 80.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.877 -1.139 . . . . 1.4 109.507 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' A' ' 70' ' ' ARG . 6.1 mp -85.84 -47.48 9.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.451 -0.78 . . . . 2.4 110.559 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.59 ' CB ' ' CB ' ' B' ' 75' ' ' LEU . 3.1 mp -61.54 -24.44 66.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.991 -1.068 . . . . 1.15 109.572 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.514 ' N ' HD21 ' B' ' 75' ' ' LEU . 1.6 tp10 -80.82 -48.91 11.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 1.65 110.362 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 11.3 pt20 -67.28 -6.85 20.25 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.189 -0.944 . . . . 2.38 110.253 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.479 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 19.6 tp60 -105.25 -42.5 5.25 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.037 -1.097 . . . . 2.21 108.037 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -53.48 -42.36 48.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 N-CA-C 109.203 -0.666 . . . . 1.32 109.203 178.318 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.491 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -89.45 -35.32 16.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -0.763 . . . . 3.3 110.258 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' A' ' 78' ' ' GLN . . . -49.12 -30.93 7.26 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 1.53 110.653 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -118.39 5.97 11.82 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.052 -1.03 . . . . 2.15 110.635 -179.627 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.48 ' HB2' ' HA ' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -58.96 80.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.125 -0.984 . . . . 1.9 110.435 -179.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -120.51 90.04 0.46 Allowed Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.139 -1.584 . . . . 1.64 109.139 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER 68.84 33.08 3.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -1.127 . . . . 2.85 109.971 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.11 73.27 0.3 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.52 -1.432 . . . . 2.23 109.52 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.424 ' C ' ' HB2' ' B' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.26 -1.141 . . . . 2.16 110.214 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.27 0.557 . . . . 3.58 110.15 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.94 99.19 0.07 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.246 -0.909 . . . . 2.02 110.112 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -112.93 61.19 0.64 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.289 -0.882 . . . . 2.89 110.235 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -111.3 -172.31 2.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 2.92 110.239 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.59 162.86 13.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 2.77 110.172 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.18 132.26 56.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.888 . . . . 1.64 110.143 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.77 -58.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.185 -0.947 . . . . 2.56 110.334 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' B' ' 10' ' ' ALA . 16.2 m-70 -86.71 174.07 9.07 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 3.23 110.361 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' B' ' 8' ' ' HIS . 45.5 m-80 60.56 -73.48 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.549 -0.719 . . . . 2.24 110.621 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' B' ' 8' ' ' HIS . . . 58.71 176.38 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.155 -0.966 . . . . 2.28 110.017 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.96 61.92 3.27 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.17 -0.956 . . . . 2.71 110.19 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -150.81 119.57 6.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.288 -0.882 . . . . 3.16 110.352 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.13 -152.8 0.52 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 4.73 109.952 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.02 14.85 9.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.192 -0.943 . . . . 4.99 110.196 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.556 ' O ' ' NE ' ' A' ' 40' ' ' ARG . 41.1 mtp180 -134.37 -23.78 1.64 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 5.24 110.954 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -123.04 31.32 6.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.782 -1.199 . . . . 4.24 110.06 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 28.2 t0 -132.99 -59.53 0.88 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 5.59 110.065 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -39.32 -73.19 0.05 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.532 -0.73 . . . . 4.76 110.941 -179.683 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.607 ' CD1' HD12 ' A' ' 44' ' ' LEU . 32.0 mm -43.67 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.161 -0.962 . . . . 2.77 108.871 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' B' ' 19' ' ' ILE . 18.8 mttp -32.8 -44.59 0.11 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.619 -0.675 . . . . 3.27 110.475 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' B' ' 17' ' ' ASP . 3.1 t0 -58.86 -57.23 13.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.871 -1.143 . . . . 2.72 108.142 178.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.472 ' O ' ' N ' ' B' ' 26' ' ' LEU . 40.0 m -59.92 -38.13 81.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.208 -1.034 . . . . 2.0 108.208 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.69 ' CE1' ' CB ' ' B' ' 41' ' ' ALA . 0.8 OUTLIER -51.03 -61.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.314 -0.995 . . . . 2.5 108.314 178.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -44.25 -44.13 7.76 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.339 -0.944 . . . . 3.07 109.0 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -69.94 -32.02 70.07 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.864 -0.791 . . . . 1.91 108.864 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.559 ' CD2' HG21 ' B' ' 43' ' ' ILE . 0.5 OUTLIER -77.36 -53.0 8.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 2.17 109.642 179.295 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.557 ' N ' HG12 ' B' ' 43' ' ' ILE . 4.5 ttm180 -50.66 -39.55 51.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.17 -0.956 . . . . 2.85 109.14 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.54 -2.28 34.79 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.54 -0.725 . . . . 1.76 109.538 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -87.85 -42.29 12.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.323 -0.861 . . . . 1.38 111.341 -179.321 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.538 ' CG1' ' HG ' ' B' ' 33' ' ' LEU . 92.9 t -118.82 72.56 11.29 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 120.454 -1.404 . . . . 1.51 111.346 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -79.79 2.59 8.27 Favored 'Trans proline' 0 C--N 1.301 -1.955 0 O-C-N 123.698 1.367 . . . . 1.77 108.59 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.459 ' O ' ' C ' ' B' ' 33' ' ' LEU . 0.5 OUTLIER -110.87 20.6 17.38 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.571 -0.706 . . . . 2.43 110.448 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.561 ' CD2' ' HG3' ' B' ' 46' ' ' LYS . 0.6 OUTLIER -45.29 -49.39 12.7 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.465 -1.309 . . . . 1.72 107.465 178.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 43.34 18.43 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 115.353 -0.839 . . . . 3.67 112.109 178.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' B' ' 33' ' ' LEU . . . -154.93 12.32 0.45 Allowed Glycine 0 N--CA 1.487 2.057 0 C-N-CA 119.479 -1.343 . . . . 2.06 109.912 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.444 ' OE1' ' HB3' ' B' ' 45' ' ' ASP . 5.7 mm-40 -125.22 154.24 41.93 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.089 -1.242 . . . . 2.87 110.222 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' B' ' 38' ' ' ALA . 3.3 tptm -86.29 23.02 1.65 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.278 -0.889 . . . . 4.1 109.823 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.592 ' HA ' ' CB ' ' B' ' 42' ' ' GLN . . . 39.83 -168.21 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.96 0.886 . . . . 2.2 112.226 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 0.5 OUTLIER 158.77 -162.94 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.284 -1.006 . . . . 2.99 108.284 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.528 ' NE ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -49.77 -67.67 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.588 -1.32 . . . . 4.88 109.269 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.69 ' CB ' ' CE1' ' B' ' 23' ' ' PHE . . . -117.63 70.89 0.8 Allowed 'General case' 0 C--N 1.311 -1.109 0 O-C-N 120.881 -1.137 . . . . 2.0 108.419 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.592 ' CB ' ' HA ' ' B' ' 38' ' ' ALA . 0.0 OUTLIER -60.47 -0.77 0.28 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 115.503 -0.771 . . . . 2.48 112.438 -179.112 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.559 HG21 ' CD2' ' B' ' 26' ' ' LEU . 0.9 OUTLIER -75.67 -55.08 12.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 120.024 -1.673 . . . . 3.05 108.588 -179.65 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.641 HD13 ' CE1' ' A' ' 23' ' ' PHE . 5.4 mt -31.55 -38.33 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.209 0.528 . . . . 2.23 110.341 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 43' ' ' ILE . 5.6 t0 -66.92 -59.09 3.81 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.492 -1.299 . . . . 2.49 107.492 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.561 ' HG3' ' CD2' ' B' ' 33' ' ' LEU . 2.3 mmtt -68.08 -39.62 82.86 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 119.33 -0.948 . . . . 2.55 110.174 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.467 ' O ' HG13 ' B' ' 51' ' ' ILE . . . -53.43 -66.94 0.3 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.09 . . . . 1.21 110.59 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' B' ' 44' ' ' LEU . 1.3 m -43.84 -55.14 4.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.057 -1.027 . . . . 2.39 110.548 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.45 71.68 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.584 -1.246 . . . . 2.27 109.992 -179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.536 ' N ' ' HG3' ' B' ' 49' ' ' GLU . 1.3 m-85 -67.02 -48.6 67.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.995 . . . . 2.67 111.0 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.475 ' O ' ' HB2' ' B' ' 55' ' ' ARG . 10.6 mt -50.84 -34.61 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.054 -1.029 . . . . 1.82 110.57 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' B' ' 53' ' ' TYR . 22.0 mm-40 -88.92 -65.0 1.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.07 -1.019 . . . . 2.49 110.451 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.49 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -41.27 -33.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.341 -0.849 . . . . 2.31 110.18 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.458 ' SD ' ' HB3' ' A' ' 54' ' ' MET . 3.7 mmt -81.4 -53.13 6.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 1.62 110.448 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -49.15 -45.95 44.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.117 -0.99 . . . . 3.05 110.125 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -69.58 -41.3 75.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.296 -0.878 . . . . 3.61 110.099 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.0 OUTLIER -61.72 -56.49 19.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 2.16 110.077 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.27 -32.59 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 1.46 110.155 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.18 -67.52 0.42 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 2.39 110.063 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 91.6 m -63.21 -27.01 69.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 1.42 109.974 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' B' ' 64' ' ' ASP . 19.9 mt -69.39 -72.16 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.913 . . . . 1.66 109.943 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.519 ' CA ' HG13 ' B' ' 65' ' ' ILE . 0.8 OUTLIER -40.55 -50.55 2.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.522 -0.736 . . . . 1.58 110.103 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -32.52 28.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.863 . . . . 1.81 109.767 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 61' ' ' LEU . 1.2 m-20 -82.69 -21.4 34.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.39 109.919 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.541 HD11 ' CG1' ' A' ' 65' ' ' ILE . 2.6 mt -76.53 -38.7 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 1.33 109.152 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -43.02 68.29 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.387 -0.821 . . . . 1.77 109.274 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' B' ' 71' ' ' GLN . 12.6 t0 -56.77 -43.76 81.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.371 -0.831 . . . . 1.88 109.463 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 68' ' ' LEU . 63.9 mt -69.04 -48.31 63.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 1.6 109.605 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -48.86 -49.86 37.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 2.71 109.607 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.539 ' O ' ' CD1' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -59.05 -47.27 85.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 3.19 109.82 179.545 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.526 ' C ' ' CD1' ' B' ' 75' ' ' LEU . 73.0 mt-30 -47.27 -81.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 2.14 110.675 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -36.7 -29.3 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.96 110.734 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -66.38 -35.67 80.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.085 -1.009 . . . . 1.23 109.727 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 6.1 mp -85.83 -47.6 9.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 1.91 110.558 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.59 ' CB ' ' CB ' ' A' ' 75' ' ' LEU . 3.1 mp -61.34 -24.54 66.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.012 -1.055 . . . . 1.34 109.576 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 1.6 tp10 -80.8 -48.82 11.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.816 . . . . 1.35 110.436 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' B' ' 81' ' ' ALA . 11.3 pt20 -67.39 -6.78 20.6 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.157 -0.964 . . . . 2.32 110.216 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.484 ' HA ' ' HB1' ' B' ' 81' ' ' ALA . 19.6 tp60 -105.27 -42.56 5.23 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.952 -1.129 . . . . 2.02 107.952 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' B' ' 75' ' ' LEU . 0.9 OUTLIER -53.52 -42.34 49.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 109.168 -0.678 . . . . 1.52 109.168 178.413 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.495 ' HB2' ' NH1' ' B' ' 80' ' ' ARG . 0.1 OUTLIER -89.47 -35.25 16.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.487 -0.758 . . . . 3.22 110.288 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.484 ' HB1' ' HA ' ' B' ' 78' ' ' GLN . . . -49.25 -30.92 7.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 1.52 110.64 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' B' ' 84' ' ' GLY . 0.5 OUTLIER -118.43 6.01 11.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.013 -1.055 . . . . 1.69 110.611 -179.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 79' ' ' VAL . 0.9 OUTLIER -58.88 80.29 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.973 . . . . 2.26 110.375 -179.75 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 82' ' ' LEU . . . -120.51 90.0 0.46 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.175 -1.57 . . . . 1.76 109.175 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' B' ' 84' ' ' GLY . 0.5 OUTLIER 69.02 32.97 3.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.333 -1.098 . . . . 3.17 110.034 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.14 73.19 0.31 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.561 -1.416 . . . . 2.55 109.561 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.221 -1.164 . . . . 3.46 110.229 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.231 0.539 . . . . 3.94 110.287 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.8 99.42 0.47 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.155 -0.966 . . . . 3.23 109.924 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -101.05 -25.53 14.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 2.54 110.467 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -118.82 136.17 54.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.92 . . . . 3.42 110.332 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -151.56 71.72 1.0 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.217 -0.927 . . . . 3.03 110.164 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 -155.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 1.95 110.209 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 8' ' ' HIS . 7.6 m-70 -93.76 103.13 15.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.234 -0.916 . . . . 3.66 110.274 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 7' ' ' HIS . 34.7 m170 42.52 77.66 0.06 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.89 . . . . 4.42 110.259 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -56.13 148.8 17.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.253 -0.904 . . . . 3.35 110.155 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.79 107.6 1.49 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 2.17 110.355 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.26 -18.18 6.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 3.29 110.234 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -110.41 88.17 2.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 4.04 109.897 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.41 -32.42 48.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.326 -0.859 . . . . 3.14 110.638 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.51 -143.61 0.3 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.215 -0.928 . . . . 3.81 110.73 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.07 46.21 0.97 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 3.93 110.198 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -144.21 58.74 1.34 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.896 . . . . 3.78 110.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.8 t0 178.85 -30.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 3.81 110.261 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.453 ' CB ' ' HB2' ' B' ' 40' ' ' ARG . 67.9 m-70 -61.75 -65.96 0.61 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 6.84 110.534 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.536 ' HB ' ' CD2' ' B' ' 44' ' ' LEU . 10.1 pt -51.19 -46.56 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.845 -1.159 . . . . 2.08 109.887 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 23.9 mtpt -40.9 -59.37 1.45 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.206 -0.934 . . . . 5.15 109.626 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' LYS . 84.3 m-20 -45.0 -46.21 11.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.46 -0.941 . . . . 2.76 108.46 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.511 ' CB ' ' HB3' ' B' ' 44' ' ' LEU . 1.0 OUTLIER -70.97 -47.68 57.61 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.955 -0.698 . . . . 1.99 109.286 178.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.677 ' CE1' ' CD2' ' B' ' 44' ' ' LEU . 4.9 m-30 -43.86 -67.56 0.27 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.667 -0.864 . . . . 2.73 108.667 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' PHE . 64.4 m80 -40.41 -53.99 2.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.592 -0.692 . . . . 2.77 109.947 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -37.89 86.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 1.87 109.307 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.583 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -69.51 -51.21 37.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.531 -0.731 . . . . 2.37 109.535 179.476 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -50.52 -36.83 35.91 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.52 -0.918 . . . . 2.66 108.52 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.73 65.78 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.6 -0.889 . . . . 2.29 108.6 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' LEU . 12.3 m -63.93 -61.71 2.11 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.823 -0.806 . . . . 1.84 108.823 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.579 ' CG1' ' HA ' ' A' ' 33' ' ' LEU . 7.9 t -109.57 102.16 48.82 Favored Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 119.028 -1.069 . . . . 1.85 109.584 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.545 ' O ' ' HB2' ' A' ' 32' ' ' SER . 40.6 Cg_endo -67.06 118.59 5.69 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.028 1.541 . . . . 1.61 110.728 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.545 ' HB2' ' O ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER 68.66 -8.29 0.64 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 116.095 -0.502 . . . . 2.26 110.965 -179.203 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.579 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.8 OUTLIER 54.56 16.71 1.41 Allowed 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 123.044 1.402 . . . . 2.26 111.566 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' LEU . 1.4 tp60 40.95 63.46 1.18 Allowed 'General case' 0 C--N 1.26 -3.316 0 CA-C-N 113.758 -1.565 . . . . 4.09 109.282 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 36' ' ' GLU . . . 110.65 24.38 5.6 Favored Glycine 0 N--CA 1.486 2.016 0 N-CA-C 108.738 -1.745 . . . . 2.61 108.738 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -35.43 159.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.645 0.736 . . . . 3.47 111.501 -179.525 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 20.4 ptmt 171.8 -16.44 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.1 0.476 . . . . 4.33 109.844 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 39' ' ' SER . . . -32.06 -93.65 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.671 -0.643 . . . . 3.7 111.865 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 1.6 p 163.82 160.49 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.369 -0.832 . . . . 4.98 110.971 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.558 ' HD3' ' N ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER 41.87 -102.08 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.369 -0.832 . . . . 7.19 111.006 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.607 ' CB ' ' CE1' ' A' ' 23' ' ' PHE . . . -78.77 -35.22 44.81 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.326 -1.484 . . . . 3.09 107.223 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 12.9 mt-30 74.66 -18.35 0.43 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.312 -0.858 . . . . 2.84 111.715 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.583 ' CG2' ' HB3' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -79.07 -20.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.63 -1.294 . . . . 3.42 108.827 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.68 ' CD2' ' CE1' ' B' ' 23' ' ' PHE . 5.9 mp -68.63 -47.45 66.58 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.209 -0.996 . . . . 2.14 108.656 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.526 ' HB2' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -52.04 -48.87 64.36 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.584 -0.895 . . . . 2.29 108.584 178.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.54 ' CE ' HG21 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -75.31 -40.64 58.28 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.405 -0.918 . . . . 3.18 109.531 178.793 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' B' ' 47' ' ' ALA . . . -49.94 -48.34 51.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.502 -0.748 . . . . 1.29 109.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.523 ' OG1' ' CD1' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -65.26 -44.53 87.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.384 -0.823 . . . . 2.28 110.094 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 53' ' ' TYR . 37.6 mm-40 -61.87 -56.8 15.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 2.26 110.135 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.481 ' O ' ' HB2' ' A' ' 54' ' ' MET . 2.8 m-30 -52.28 -64.84 0.69 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.114 -0.991 . . . . 2.82 109.838 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 64.0 mt -41.65 -41.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.41 110.418 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 48' ' ' THR . 2.9 tt0 -80.1 -73.38 0.36 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.037 -1.039 . . . . 2.69 110.304 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -44.58 -46.17 9.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 2.53 110.02 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -66.7 -55.65 14.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 1.4 110.393 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 1.3 ttp180 -41.16 -71.23 0.09 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.217 -0.927 . . . . 3.11 110.58 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -50.56 -28.83 9.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 3.1 110.453 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -71.39 -38.85 71.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 2.84 110.24 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.58 -46.75 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.952 . . . . 2.06 110.143 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -56.74 -60.86 2.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 2.74 110.245 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' LEU . 97.6 m -51.83 -61.12 2.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.181 -0.949 . . . . 1.99 110.173 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.1 mt -42.72 -46.96 5.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.268 -0.895 . . . . 1.51 110.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HA ' HG13 ' A' ' 65' ' ' ILE . 5.1 tm0? -57.49 -48.71 78.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 1.85 110.472 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -35.28 28.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.125 -0.985 . . . . 2.14 110.211 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.462 ' O ' HD11 ' A' ' 68' ' ' LEU . 29.6 t0 -72.46 -22.02 61.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 1.43 110.176 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.529 HD11 ' CG1' ' B' ' 65' ' ' ILE . 1.0 OUTLIER -83.56 -47.08 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.223 -0.923 . . . . 1.29 109.597 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -44.92 82.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -0.887 . . . . 2.02 109.797 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -63.15 -55.66 23.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.339 -0.85 . . . . 1.6 109.928 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 97.8 mt -60.26 -44.49 95.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.238 -0.913 . . . . 1.26 110.324 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 24.7 ttmt -48.89 -54.25 16.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.937 . . . . 2.8 110.501 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -40.29 90.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.201 -0.937 . . . . 3.58 110.338 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 40.3 mm-40 -50.55 -81.45 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.294 -0.879 . . . . 2.05 110.537 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -42.22 -26.78 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 1.08 110.306 -179.688 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -59.91 -64.49 0.93 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.022 . . . . 1.4 109.606 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 71' ' ' GLN . 0.8 OUTLIER -77.55 -25.96 50.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 2.4 109.545 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.546 ' CD1' ' HB3' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -60.17 -47.8 84.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.372 -0.83 . . . . 1.15 109.738 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.437 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 52.3 tt0 -72.66 -33.36 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 1.65 109.875 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 1.6 mm-40 -58.83 -14.72 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.365 -0.834 . . . . 2.38 109.975 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 2.5 tp60 -106.61 -36.7 6.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.862 -1.162 . . . . 2.21 107.862 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.437 ' HB ' ' HA ' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -66.27 -17.87 23.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 108.754 -0.832 . . . . 1.32 108.754 178.337 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.515 ' HG3' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -109.27 -25.16 10.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.468 -0.77 . . . . 3.3 109.866 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.515 ' N ' ' HG3' ' A' ' 80' ' ' ARG . . . -101.53 17.18 23.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 1.53 110.087 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 1.1 tm? -156.5 33.66 0.32 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.264 -0.897 . . . . 2.15 110.162 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.84 -172.22 0.8 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.944 -1.098 . . . . 1.9 110.217 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.32 -161.49 13.68 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.652 -1.379 . . . . 1.64 109.652 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' CYS . 19.0 m -92.7 134.44 35.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.334 -1.098 . . . . 2.85 110.209 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.436 ' N ' ' CD2' ' B' ' 82' ' ' LEU . . . -44.54 99.61 0.02 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.577 -1.409 . . . . 2.23 109.577 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.287 -1.125 . . . . 2.16 110.228 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.222 0.534 . . . . 3.58 110.291 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.53 99.27 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 2.02 110.013 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -101.0 -25.13 14.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.895 . . . . 2.89 110.5 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -119.26 136.08 54.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.143 -0.973 . . . . 2.92 110.358 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -151.43 71.69 1.01 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.301 -0.874 . . . . 2.77 110.231 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.71 -155.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.247 -0.908 . . . . 1.64 110.231 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -93.69 103.17 15.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.228 -0.92 . . . . 2.56 110.288 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 34.6 m170 42.46 77.69 0.06 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -0.862 . . . . 3.23 110.297 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.17 148.73 17.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.913 . . . . 2.24 110.155 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.72 107.62 1.51 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.196 -0.94 . . . . 2.28 110.388 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.29 -18.09 6.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.23 -0.919 . . . . 2.71 110.23 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -110.46 88.07 2.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.934 . . . . 3.16 109.901 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.4 -32.36 48.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.206 -0.934 . . . . 4.73 110.631 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.46 -143.67 0.3 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.224 -0.922 . . . . 4.99 110.679 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 45.92 0.98 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.313 -0.867 . . . . 5.24 110.201 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 0.1 OUTLIER -143.86 58.71 1.36 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 4.24 110.325 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' B' ' 16' ' ' ARG . 3.8 t0 178.88 -30.27 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 5.59 110.35 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -61.83 -65.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.369 -0.832 . . . . 4.76 110.493 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.595 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 10.8 pt -51.25 -46.41 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 120.824 -1.172 . . . . 2.77 109.959 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' B' ' 19' ' ' ILE . 23.8 mtpt -41.14 -59.51 1.48 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.943 . . . . 3.27 109.586 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' B' ' 20' ' ' LYS . 84.2 m-20 -44.75 -46.41 10.47 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.427 -0.953 . . . . 2.72 108.427 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.508 ' CB ' ' HB3' ' A' ' 44' ' ' LEU . 1.2 t -70.69 -47.68 58.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.594 -0.691 . . . . 2.0 109.301 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.68 ' CE1' ' CD2' ' A' ' 44' ' ' LEU . 4.9 m-30 -44.09 -67.44 0.28 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.739 -0.837 . . . . 2.5 108.739 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' B' ' 23' ' ' PHE . 64.7 m80 -40.44 -54.29 2.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.63 -0.669 . . . . 3.07 109.833 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -37.79 85.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.161 -0.962 . . . . 1.91 109.391 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.581 ' HB3' ' CG2' ' B' ' 43' ' ' ILE . 0.1 OUTLIER -69.6 -51.19 37.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 2.17 109.575 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.55 -36.79 36.03 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.251 -0.905 . . . . 2.85 108.562 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.6 65.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.66 -0.867 . . . . 1.76 108.66 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 26' ' ' LEU . 11.4 m -63.87 -62.74 1.45 Allowed 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.675 -0.861 . . . . 1.38 108.675 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.591 ' CG1' ' HA ' ' B' ' 33' ' ' LEU . 8.4 t -108.5 102.12 45.9 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 119.157 -1.017 . . . . 1.51 109.789 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.525 ' O ' ' HB2' ' B' ' 32' ' ' SER . 40.1 Cg_endo -67.2 118.77 5.83 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.991 1.521 . . . . 1.77 110.722 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.525 ' HB2' ' O ' ' B' ' 31' ' ' PRO . 0.4 OUTLIER 68.67 -8.67 0.61 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 116.063 -0.517 . . . . 2.43 110.916 -179.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.591 ' HA ' ' CG1' ' B' ' 30' ' ' VAL . 1.2 mt 54.72 16.51 1.41 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 123.035 1.398 . . . . 1.72 111.529 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' B' ' 33' ' ' LEU . 1.3 tp60 41.14 62.79 1.37 Allowed 'General case' 0 C--N 1.261 -3.28 0 CA-C-N 113.771 -1.559 . . . . 3.67 109.402 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' B' ' 36' ' ' GLU . . . 112.07 22.16 6.02 Favored Glycine 0 N--CA 1.483 1.833 0 N-CA-C 108.864 -1.694 . . . . 2.06 108.864 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' B' ' 35' ' ' GLY . 0.1 OUTLIER -33.55 159.0 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.822 0.82 . . . . 2.87 111.676 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' B' ' 36' ' ' GLU . 20.4 ptmt 171.92 -16.32 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 116.115 -0.493 . . . . 4.1 109.677 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.55 ' O ' ' CB ' ' B' ' 39' ' ' SER . . . -32.38 -93.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.641 -0.662 . . . . 2.2 111.885 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 1.6 p 163.84 160.57 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.433 -0.792 . . . . 2.99 111.026 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.545 ' HD3' ' N ' ' B' ' 41' ' ' ALA . 0.0 OUTLIER 41.72 -101.85 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.458 -0.776 . . . . 4.88 111.001 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.648 ' HB1' ' CZ ' ' B' ' 23' ' ' PHE . . . -78.91 -35.36 43.61 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.262 -1.524 . . . . 2.0 107.283 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' B' ' 41' ' ' ALA . 13.0 mt-30 74.94 -18.49 0.43 Allowed 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.36 -0.836 . . . . 2.48 111.707 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.581 ' CG2' ' HB3' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -79.06 -20.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.697 -1.252 . . . . 3.05 108.921 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.677 ' CD2' ' CE1' ' A' ' 23' ' ' PHE . 5.7 mp -68.9 -47.68 65.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.063 -1.023 . . . . 2.23 108.555 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.535 ' HB2' ' CB ' ' B' ' 38' ' ' ALA . 0.2 OUTLIER -51.81 -48.79 63.73 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.623 -0.881 . . . . 2.49 108.623 178.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.54 ' CE ' HG21 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -75.47 -40.55 57.23 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.39 -0.924 . . . . 2.55 109.598 178.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 47' ' ' ALA . . . -50.5 -47.68 57.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.387 -0.82 . . . . 1.21 109.773 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.491 ' OG1' ' HG ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -65.48 -44.2 87.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.432 -0.792 . . . . 2.39 110.003 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' B' ' 53' ' ' TYR . 37.6 mm-40 -62.09 -56.69 16.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.259 -0.901 . . . . 2.27 110.083 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' B' ' 54' ' ' MET . 2.7 m-30 -52.45 -64.68 0.74 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.121 -0.987 . . . . 2.67 109.827 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.512 ' O ' ' CB ' ' B' ' 55' ' ' ARG . 62.7 mt -41.92 -41.7 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.885 . . . . 1.82 110.467 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 48' ' ' THR . 2.9 tt0 -80.29 -73.07 0.38 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.054 -1.029 . . . . 2.49 110.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -44.71 -46.27 10.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.304 -0.873 . . . . 2.31 109.971 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.465 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.3 OUTLIER -66.71 -55.27 15.85 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 1.62 110.474 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' B' ' 51' ' ' ILE . 1.3 ttp180 -41.56 -71.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.294 -0.879 . . . . 3.05 110.612 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -50.61 -28.85 9.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 3.61 110.357 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' B' ' 54' ' ' MET . 0.1 OUTLIER -71.2 -39.11 71.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.176 -0.953 . . . . 2.16 110.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.42 -46.73 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 1.46 110.141 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -56.78 -60.6 3.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 2.39 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 61' ' ' LEU . 98.0 m -52.14 -61.02 2.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 1.42 110.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.456 ' O ' HG13 ' B' ' 65' ' ' ILE . 7.1 mt -42.71 -46.93 5.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -0.881 . . . . 1.66 110.247 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.485 ' HA ' HG13 ' B' ' 65' ' ' ILE . 5.1 tm0? -57.45 -48.47 79.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 1.58 110.509 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -35.28 30.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 1.81 110.223 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.49 -21.94 61.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 1.39 110.176 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.529 ' CG1' HD11 ' A' ' 65' ' ' ILE . 1.1 mt -83.58 -47.25 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 1.33 109.676 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -44.99 81.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 1.77 109.8 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -63.2 -55.51 24.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.353 -0.842 . . . . 1.88 109.933 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' B' ' 71' ' ' GLN . 97.2 mt -60.25 -44.59 95.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.91 . . . . 1.6 110.248 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' B' ' 65' ' ' ILE . 24.6 ttmt -48.86 -54.34 15.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.188 -0.945 . . . . 2.71 110.486 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.431 ' O ' HD23 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.32 -40.51 90.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 3.19 110.405 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.53 ' HB3' ' CD1' ' B' ' 75' ' ' LEU . 40.7 mm-40 -50.21 -81.52 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 2.14 110.216 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.528 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -40.18 -29.2 0.07 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.328 -0.857 . . . . 0.96 110.28 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -59.55 -64.72 0.84 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.919 . . . . 1.23 109.73 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 71' ' ' GLN . 0.8 OUTLIER -77.39 -26.09 51.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 1.91 109.581 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.546 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -60.0 -47.97 83.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.422 -0.799 . . . . 1.34 109.72 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' B' ' 79' ' ' VAL . 52.0 tt0 -72.52 -33.56 66.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.499 -0.75 . . . . 1.35 109.842 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' B' ' 81' ' ' ALA . 1.6 mm-40 -58.56 -14.93 9.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 2.32 109.989 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 2.6 tp60 -106.51 -36.92 6.64 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.841 -1.17 . . . . 2.02 107.841 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.44 ' HB ' ' HA ' ' B' ' 76' ' ' GLU . 0.9 OUTLIER -66.03 -17.98 23.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 108.779 -0.823 . . . . 1.52 108.779 178.292 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -109.28 -24.96 10.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.468 -0.77 . . . . 3.22 109.855 179.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.501 ' N ' ' HG3' ' B' ' 80' ' ' ARG . . . -101.61 17.17 23.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.269 -0.894 . . . . 1.52 110.147 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.562 ' O ' ' CD1' ' B' ' 82' ' ' LEU . 1.1 tm? -156.63 33.71 0.31 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.272 -0.892 . . . . 1.69 110.105 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.86 -172.43 0.83 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.925 -1.11 . . . . 2.26 110.225 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.6 -161.45 13.6 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.616 -1.393 . . . . 1.76 109.616 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.434 ' O ' ' N ' ' B' ' 87' ' ' CYS . 18.8 m -92.79 134.29 35.21 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.261 -1.141 . . . . 3.17 110.174 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' B' ' 85' ' ' SER . . . -44.46 99.63 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.564 -1.415 . . . . 2.55 109.564 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' B' ' 85' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.172 -1.193 . . . . 3.46 110.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.632 HD12 ' CZ ' ' B' ' 23' ' ' PHE . 1.2 mm . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 108.699 -0.852 . . . . 1.72 108.699 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -27.94 -42.68 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.22 0.533 . . . . 4.71 110.609 179.06 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' ILE . 3.5 t70 -57.38 -67.16 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 118.985 -1.086 . . . . 2.7599999999999998 108.207 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' PHE . 74.0 p -54.72 -41.55 70.48 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.166 -1.049 . . . . 1.6399999999999999 108.166 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.669 ' CZ ' HD12 ' B' ' 19' ' ' ILE . 0.9 OUTLIER -44.48 -59.9 2.22 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.585 -0.894 . . . . 1.9299999999999999 108.585 178.223 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 23' ' ' PHE . 19.3 m170 -41.13 -51.66 3.39 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.811 -0.811 . . . . 2.3100000000000001 108.811 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -44.19 73.12 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.351 -0.981 . . . . 1.74 108.351 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.874 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.18 -38.16 87.38 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.543 -0.723 . . . . 1.74 109.218 178.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' PHE . 2.8 ttt180 -43.63 -40.58 4.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.865 . . . . 2.2599999999999998 109.276 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -23.88 39.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 2.29 109.504 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.581 ' HB2' ' HA ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -48.42 -56.43 8.23 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.913 -1.143 . . . . 1.4399999999999999 107.913 178.717 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 46' ' ' LYS . 13.4 t . . . . . 0 C--N 1.31 -1.115 0 N-CA-C 108.305 -0.998 . . . . 1.3 108.305 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.531 ' HG3' HG13 ' A' ' 43' ' ' ILE . 19.6 pt20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.922 0.391 . . . . 2.8399999999999999 110.666 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.874 HG21 ' HB3' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.41 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.513 -1.275 . . . . 2.9500000000000002 108.136 178.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.682 HD13 ' CE1' ' B' ' 23' ' ' PHE . 23.0 mt -70.05 -43.3 71.52 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.874 -0.787 . . . . 1.4299999999999999 108.874 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.438 -0.949 . . . . 2.29 108.438 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HB3' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -80.04 -39.01 30.72 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.642 -0.823 . . . . 2.6600000000000001 109.569 178.793 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.896 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -54.66 -40.8 69.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.141 -0.975 . . . . 0.72999999999999998 109.452 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 2.7 m -70.85 -40.03 72.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.351 -0.843 . . . . 1.76 110.002 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -68.29 -35.75 78.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.136 -0.978 . . . . 2.2599999999999998 109.647 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' O ' ' CB ' ' A' ' 54' ' ' MET . 2.9 m-85 -65.02 -71.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 2.2599999999999998 110.136 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.906 HD11 ' HA ' ' B' ' 47' ' ' ALA . 48.3 mt -40.29 -37.72 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.384 -0.823 . . . . 0.88 110.506 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 48' ' ' THR . 43.6 mm-40 -77.53 -74.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 2.4399999999999999 110.131 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -55.06 -54.61 40.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 1.73 109.605 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.569 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.8 ttt -45.38 -46.79 13.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.115 -0.991 . . . . 1.3999999999999999 109.607 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 1.3 tmm_? -63.13 -45.46 91.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.331 -0.856 . . . . 2.6000000000000001 109.578 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -45.69 68.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.357 -0.84 . . . . 2.46 109.715 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -56.62 -52.86 63.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.358 -0.839 . . . . 2.3599999999999999 109.903 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -47.46 -58.31 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.298 -0.876 . . . . 1.3999999999999999 109.977 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -47.09 -64.4 0.79 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.216 -0.927 . . . . 2.1200000000000001 110.044 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -57.68 -37.76 73.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.173 -0.954 . . . . 1.3500000000000001 109.94 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.0 mt -59.27 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 0.80000000000000004 109.838 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -42.72 -26.82 0.14 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.8500000000000001 110.127 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -59.54 -45.11 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 1.75 109.57 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.767 ' O ' HD12 ' A' ' 68' ' ' LEU . 13.2 p30 -76.53 -17.75 59.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 1.4299999999999999 109.839 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.757 HD11 HD11 ' B' ' 65' ' ' ILE . 2.3 mt -80.71 -42.24 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.56000000000000005 108.722 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -38.51 90.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.455 -0.778 . . . . 2.02 109.121 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -46.22 58.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.502 -0.749 . . . . 1.6000000000000001 109.274 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 64' ' ' ASP . 33.9 mt -64.46 -37.2 86.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.826 . . . . 0.68000000000000005 109.339 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 1.5 tppp? -58.5 -44.11 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.47 -0.769 . . . . 2.2000000000000002 109.804 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -67.4 -36.23 80.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.848 . . . . 3.0099999999999998 109.762 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.745 ' C ' HD12 ' A' ' 75' ' ' LEU . 90.9 mt-30 -58.24 -86.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.337 -0.852 . . . . 1.8899999999999999 109.998 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.538 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -40.58 -27.16 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.95999999999999996 110.388 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 69' ' ' LYS . . . -65.61 -54.62 25.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.109 -0.994 . . . . 0.68999999999999995 109.128 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 4.5 mp -82.57 -24.82 33.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.919 -0.771 . . . . 1.8400000000000001 108.919 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.833 ' HB3' HD22 ' B' ' 75' ' ' LEU . 0.2 OUTLIER -64.97 -52.9 53.71 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.542 -0.724 . . . . 0.54000000000000004 109.457 179.279 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' CD2' ' B' ' 75' ' ' LEU . 4.6 tt0 -68.18 -29.22 68.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.463 -0.773 . . . . 1.6499999999999999 109.772 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 1.1 tp-100 -66.33 -11.56 51.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.345 -0.847 . . . . 1.8799999999999999 109.728 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 -38.54 6.08 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.716 -1.216 . . . . 1.5600000000000001 107.716 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.707 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.61 0 N-CA-C 108.582 -0.895 . . . . 0.72999999999999998 108.582 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.669 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 1.2 mm . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 108.726 -0.842 . . . . 1.99 108.726 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.602 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -27.96 -42.92 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-O 121.214 0.531 . . . . 2.8300000000000001 110.564 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 19' ' ' ILE . 3.5 t70 -57.05 -67.17 0.34 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.053 -1.059 . . . . 2.7200000000000002 108.233 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.428 ' O ' ' C ' ' B' ' 23' ' ' PHE . 65.8 p -54.88 -41.38 70.81 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.203 -1.036 . . . . 1.8200000000000001 108.203 177.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.682 ' CE1' HD13 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -44.67 -59.84 2.29 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.475 -0.935 . . . . 1.6200000000000001 108.475 178.242 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' B' ' 23' ' ' PHE . 19.4 m170 -41.11 -51.75 3.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.814 -0.81 . . . . 2.4100000000000001 108.814 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -44.16 72.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.418 -0.956 . . . . 1.3600000000000001 108.418 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.853 ' HB3' HG21 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -66.26 -38.25 87.4 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.486 -0.758 . . . . 1.6299999999999999 109.193 178.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' B' ' 26' ' ' LEU . 2.8 ttt180 -43.46 -40.62 3.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.819 . . . . 2.4500000000000002 109.281 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -80.92 -23.88 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.759 . . . . 1.76 109.637 179.107 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.559 ' HB2' ' HA ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -48.33 -56.18 8.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.931 -1.137 . . . . 1.24 107.931 178.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' B' ' 46' ' ' LYS . 12.5 t . . . . . 0 C--N 1.303 -1.437 0 N-CA-C 108.358 -0.978 . . . . 0.84999999999999998 108.358 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLN . . . . . 0.543 ' HG3' HG13 ' B' ' 43' ' ' ILE . 19.5 pt20 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.99 0.424 . . . . 2.48 110.705 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.853 HG21 ' HB3' ' B' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.42 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 2.3999999999999999 108.162 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.668 HD13 ' CE1' ' A' ' 23' ' ' PHE . 23.3 mt -70.16 -43.15 71.46 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 1.55 108.863 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -53.18 -47.28 68.97 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.353 -0.98 . . . . 2.4900000000000002 108.353 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -80.02 -39.05 30.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.668 -0.813 . . . . 2.1400000000000001 109.623 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.906 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -55.05 -40.49 70.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.70999999999999996 109.557 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 2.8 m -70.73 -40.06 72.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 2.02 109.812 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 46' ' ' LYS . 0.2 OUTLIER -68.39 -35.63 77.97 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.184 -0.947 . . . . 2.27 109.667 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' MET . 3.0 m-85 -65.05 -71.54 0.18 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.311 -0.868 . . . . 2.3599999999999999 110.137 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.896 HD11 ' HA ' ' A' ' 47' ' ' ALA . 49.8 mt -40.27 -37.82 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.361 -0.837 . . . . 1.3300000000000001 110.421 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 48' ' ' THR . 43.6 mm-40 -77.48 -74.97 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.213 -0.929 . . . . 2.4900000000000002 110.106 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.571 ' CD2' ' N ' ' B' ' 54' ' ' MET . 0.0 OUTLIER -55.01 -54.65 40.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 1.48 109.601 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.571 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.8 ttt -45.34 -46.75 13.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.116 -0.99 . . . . 0.95999999999999996 109.596 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 1.2 tmm_? -63.18 -45.31 92.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 2.5299999999999998 109.545 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -45.77 69.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.342 -0.849 . . . . 3.1000000000000001 109.691 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -56.59 -52.87 63.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -0.822 . . . . 1.52 109.9 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 66.9 t -47.46 -58.21 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.256 -0.903 . . . . 0.85999999999999999 110.015 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' B' ' 63' ' ' GLN . 0.8 OUTLIER -47.25 -64.26 0.83 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.151 -0.968 . . . . 1.96 110.026 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -57.74 -37.83 74.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.83999999999999997 109.869 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.491 ' O ' HG13 ' B' ' 65' ' ' ILE . 8.0 mt -59.13 -78.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.343 -0.848 . . . . 1.0600000000000001 109.849 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.555 ' HA ' ' CG1' ' B' ' 65' ' ' ILE . 0.7 OUTLIER -42.45 -26.99 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.52 110.062 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' B' ' 61' ' ' LEU . 0.0 OUTLIER -59.49 -45.07 92.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.5 109.643 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.752 ' O ' HD12 ' B' ' 68' ' ' LEU . 12.9 p30 -76.53 -17.78 59.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 1.3899999999999999 109.828 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 65' ' ' ILE . 1.9 mt -80.71 -42.25 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.232 -0.917 . . . . 0.64000000000000001 108.746 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.65 91.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.472 -0.768 . . . . 1.77 109.012 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -46.24 58.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.525 -0.734 . . . . 1.8799999999999999 109.327 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.752 HD12 ' O ' ' B' ' 64' ' ' ASP . 35.1 mt -64.54 -37.11 86.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.331 -0.856 . . . . 1.0700000000000001 109.338 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 73' ' ' ALA . 1.5 tppp? -58.49 -44.23 89.3 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.383 -0.823 . . . . 2.25 109.753 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -67.4 -36.25 80.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.309 -0.87 . . . . 2.75 109.836 179.679 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.74 ' C ' HD12 ' B' ' 75' ' ' LEU . 91.2 mt-30 -58.23 -86.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 2.0 109.924 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.513 ' HA ' ' HB2' ' B' ' 75' ' ' LEU . 7.5 p-10 -39.93 -27.83 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.485 -0.76 . . . . 0.69999999999999996 110.426 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' B' ' 69' ' ' LYS . . . -65.5 -54.67 24.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.108 -0.995 . . . . 0.64000000000000001 109.207 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' B' ' 74' ' ' LEU . 4.4 mp -82.57 -24.8 33.8 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.935 -0.765 . . . . 1.3 108.935 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.833 HD22 ' HB3' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -64.88 -52.96 53.71 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.473 0.654 . . . . 0.52000000000000002 109.493 179.231 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.481 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 4.6 tt0 -68.11 -29.18 68.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.443 -0.786 . . . . 1.3500000000000001 109.751 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 1.1 tp-100 -66.37 -11.52 51.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.324 -0.86 . . . . 2.1000000000000001 109.727 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.72 -38.51 6.09 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.762 -1.199 . . . . 1.98 107.762 178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.607 0 N-CA-C 108.558 -0.905 . . . . 0.77000000000000002 108.558 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.998 HG22 HD22 ' B' ' 44' ' ' LEU . 4.4 pt . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 110.7 -0.111 . . . . 1.72 110.7 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 19' ' ' ILE . 1.8 mttm -36.05 -64.72 0.3 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.366 -0.834 . . . . 4.71 109.96 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' LYS . 1.4 t0 -46.41 -45.29 17.84 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 2.7599999999999998 107.886 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -63.14 -49.44 74.33 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.763 -0.828 . . . . 1.6399999999999999 108.763 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 1.077 ' CE1' HD21 ' B' ' 44' ' ' LEU . 9.7 m-30 -48.58 -63.23 1.15 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.352 -0.843 . . . . 1.9299999999999999 109.002 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -42.64 -52.36 4.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.441 -0.787 . . . . 2.3100000000000001 109.6 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -29.68 68.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.372 -0.83 . . . . 1.74 109.178 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.731 HD23 HG21 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -71.52 -45.6 61.95 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.664 -0.648 . . . . 1.74 109.63 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.544 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.08 -27.03 63.28 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.139 -1.059 . . . . 2.2599999999999998 108.139 178.742 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 34.5 t0 -71.86 -25.6 62.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.765 -0.584 . . . . 2.29 109.658 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -71.0 -36.0 72.29 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.147 -0.97 . . . . 1.4399999999999999 108.612 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 30' ' ' VAL 0.285 8.2 t . . . . . 0 C--N 1.312 -1.058 0 N-CA-C 108.398 -0.964 . . . . 1.3 108.398 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 112.085 0.402 . . . . 2.8399999999999999 112.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.78 HG22 ' HB2' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -72.73 -49.15 42.44 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.539 0 O-C-N 120.173 -1.579 . . . . 2.9500000000000002 109.765 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.059 HD21 ' CE1' ' B' ' 23' ' ' PHE . 10.7 mp -35.82 -43.43 0.3 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.035 -1.041 . . . . 1.4299999999999999 109.698 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 49' ' ' GLU . 2.1 t0 -62.24 -51.31 68.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.611 -0.885 . . . . 2.29 108.611 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.542 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 36.0 mmtt -81.16 -52.01 7.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.266 -0.896 . . . . 2.6600000000000001 110.127 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.941 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -31.01 -56.57 0.23 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.194 0.521 . . . . 0.72999999999999998 110.901 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.544 ' OG1' ' HA ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -79.98 -52.78 7.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.932 -1.105 . . . . 1.76 110.879 -179.481 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.543 ' N ' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -45.3 -29.79 1.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.86 -1.136 . . . . 2.2599999999999998 108.833 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' MET . 3.3 m-85 -72.79 -47.91 42.61 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.042 -0.725 . . . . 2.2599999999999998 109.042 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 ' HA ' ' B' ' 47' ' ' ALA . 69.1 mt -56.2 -68.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.447 -0.783 . . . . 0.88 109.972 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ILE . 53.4 mt-30 -42.03 -59.45 1.74 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.447 -0.783 . . . . 2.4399999999999999 110.095 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CD2' ' N ' ' A' ' 54' ' ' MET . 28.5 t80 -56.57 -71.05 0.1 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.889 . . . . 1.73 110.136 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.493 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.6 mtt -46.93 -57.63 4.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 1.3999999999999999 110.308 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 4.2 tmt_? -43.07 -62.43 1.04 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 2.6000000000000001 110.033 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -51.85 -32.58 32.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 2.46 109.781 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.33 -0.856 . . . . 2.3599999999999999 110.009 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' B' ' 58' ' ' VAL . 65.2 t -44.51 -46.14 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.27 -0.894 . . . . 1.3999999999999999 110.061 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -55.42 33.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.258 -0.901 . . . . 2.1200000000000001 110.056 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 6.9 p -63.15 -42.44 99.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.319 -0.863 . . . . 1.3500000000000001 110.178 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 65' ' ' ILE . 43.7 mt -61.17 -61.08 2.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 0.80000000000000004 110.18 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.498 ' HA ' HG13 ' A' ' 65' ' ' ILE . 1.1 mt-30 -42.36 -63.12 0.81 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.836 . . . . 1.8500000000000001 110.391 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' GLN . 72.0 mm-40 -43.4 -36.16 1.84 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.163 -0.961 . . . . 1.75 110.17 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' THR . 12.9 m-20 -73.56 -22.36 60.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 1.4299999999999999 110.175 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -86.4 -36.58 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.56000000000000005 109.482 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.89 -48.93 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 2.02 109.838 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' OE1' ' A' ' 71' ' ' GLN . 22.9 m-20 -65.06 -48.07 75.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 1.6000000000000001 109.741 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 68' ' ' LEU . 17.6 mt -62.1 -39.89 94.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.329 -0.857 . . . . 0.68000000000000005 109.97 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -61.02 -47.92 84.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 2.2000000000000002 110.114 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.593 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -62.65 -35.08 78.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.275 -0.891 . . . . 3.0099999999999998 110.027 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.819 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.07 -80.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.341 -0.849 . . . . 1.8899999999999999 110.221 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.599 ' HB2' ' HB3' ' B' ' 71' ' ' GLN . 0.1 OUTLIER -39.22 -27.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.95999999999999996 110.222 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -62.89 -66.59 0.52 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 0.68999999999999995 108.925 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD23 ' HD3' ' A' ' 70' ' ' ARG . 1.8 pp -72.39 -23.63 61.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.83 . . . . 1.8400000000000001 109.083 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.897 ' HB3' HD22 ' B' ' 75' ' ' LEU . 0.3 OUTLIER -65.43 -46.91 78.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.413 -0.804 . . . . 0.54000000000000004 109.544 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 72' ' ' ASN . 5.0 tt0 -70.43 -33.91 71.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.391 -0.818 . . . . 1.6499999999999999 109.892 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -63.84 -11.38 26.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.914 . . . . 1.8799999999999999 109.703 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.502 ' HB3' HG22 ' B' ' 79' ' ' VAL . 2.7 tp-100 -109.94 -41.09 4.57 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.064 -1.087 . . . . 1.5600000000000001 108.064 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.886 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.3 -1.574 0 N-CA-C 108.81 -0.811 . . . . 0.72999999999999998 108.81 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 1.033 HG22 HD22 ' A' ' 44' ' ' LEU . 4.8 pt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 110.741 -0.096 . . . . 1.99 110.741 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' B' ' 19' ' ' ILE . 1.8 mttm -36.0 -64.78 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.418 -0.801 . . . . 2.8300000000000001 110.023 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' B' ' 20' ' ' LYS . 1.4 t0 -46.38 -45.25 17.7 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.941 -1.133 . . . . 2.7200000000000002 107.941 178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.539 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.5 OUTLIER -63.18 -49.36 74.57 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.746 -0.835 . . . . 1.8200000000000001 108.746 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 1.059 ' CE1' HD21 ' A' ' 44' ' ' LEU . 9.7 m-30 -48.68 -63.17 1.17 Allowed 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.281 -0.887 . . . . 1.6200000000000001 109.047 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' B' ' 23' ' ' PHE . 0.6 OUTLIER -42.63 -52.37 4.87 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.777 -0.769 . . . . 2.4100000000000001 109.636 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -29.61 68.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 1.3600000000000001 109.14 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.722 HD23 HG21 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -71.48 -45.76 61.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.657 -0.652 . . . . 1.6299999999999999 109.65 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.543 ' N ' HG12 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -57.96 -26.92 62.92 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.127 -1.064 . . . . 2.4500000000000002 108.127 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' B' ' 27' ' ' ARG . 34.2 t0 -71.97 -26.21 62.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.785 -0.572 . . . . 1.76 109.781 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -70.8 -34.98 72.3 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.24 108.51 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.594 HG12 ' O ' ' B' ' 30' ' ' VAL . 12.6 t . . . . . 0 C--N 1.299 -1.621 0 N-CA-C 109.073 -0.714 . . . . 0.84999999999999998 109.073 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 112.012 0.375 . . . . 2.48 112.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.802 HG22 ' HB2' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -72.77 -49.38 40.68 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 120.202 -1.561 . . . . 2.3999999999999999 109.79 -179.283 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 1.077 HD21 ' CE1' ' A' ' 23' ' ' PHE . 10.1 mp -35.52 -43.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.116 -0.99 . . . . 1.55 109.725 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 2.0 t0 -62.19 -51.38 68.06 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.704 -0.85 . . . . 2.4900000000000002 108.704 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.543 ' HA ' ' CG ' ' B' ' 49' ' ' GLU . 36.0 mmtt -81.09 -52.15 7.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.307 -0.871 . . . . 2.1400000000000001 110.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 1.021 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -31.81 -55.67 0.29 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.81 -0.556 . . . . 0.70999999999999996 111.36 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.549 HG22 ' N ' ' B' ' 49' ' ' GLU . 0.6 OUTLIER -79.88 -52.99 7.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.986 -1.071 . . . . 2.02 110.496 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.549 ' N ' HG22 ' B' ' 48' ' ' THR . 0.2 OUTLIER -45.33 -29.73 1.11 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.807 -1.183 . . . . 2.27 108.82 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' B' ' 54' ' ' MET . 3.3 m-85 -72.84 -47.93 42.09 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.028 -0.73 . . . . 2.3599999999999999 109.028 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.941 HD11 ' HA ' ' A' ' 47' ' ' ALA . 69.0 mt -56.15 -68.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 1.3300000000000001 109.951 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' ILE . 53.3 mt-30 -42.06 -59.43 1.75 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.414 -0.804 . . . . 2.4900000000000002 110.095 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' N ' ' B' ' 54' ' ' MET . 28.4 t80 -56.63 -71.02 0.1 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.344 -0.848 . . . . 1.48 110.133 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.498 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.6 mtt -46.91 -57.65 4.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.191 -0.943 . . . . 0.95999999999999996 110.33 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 4.2 tmt_? -43.04 -62.41 1.04 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 2.5299999999999998 110.06 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm-85 -51.9 -32.48 32.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.927 . . . . 3.1000000000000001 109.861 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 1.52 110.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 58' ' ' VAL . 66.2 t -44.68 -46.08 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 0.85999999999999999 110.034 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -55.35 34.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.861 . . . . 1.96 110.058 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 64' ' ' ASP . 6.9 p -63.16 -42.49 99.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 0.83999999999999997 110.143 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.513 ' O ' HG13 ' B' ' 65' ' ' ILE . 44.1 mt -61.16 -61.12 2.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.872 . . . . 1.0600000000000001 110.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.509 ' CA ' HG13 ' B' ' 65' ' ' ILE . 1.1 mt-30 -42.25 -63.18 0.79 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 1.52 110.383 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' B' ' 62' ' ' GLN . 72.6 mm-40 -43.41 -36.13 1.83 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.167 -0.958 . . . . 1.5 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' B' ' 60' ' ' THR . 12.8 m-20 -73.57 -22.43 60.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.276 -0.89 . . . . 1.3899999999999999 110.15 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 61' ' ' LEU . 0.8 OUTLIER -86.37 -36.47 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.301 -0.875 . . . . 0.64000000000000001 109.517 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.0 -48.86 72.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 1.77 109.803 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.432 ' O ' ' OE1' ' B' ' 71' ' ' GLN . 23.0 m-20 -65.1 -48.09 74.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 1.8799999999999999 109.781 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' B' ' 68' ' ' LEU . 17.6 mt -62.01 -39.91 93.89 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 1.0700000000000001 109.984 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -61.08 -48.0 83.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.25 110.036 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ARG . . . . . 0.588 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -62.65 -35.08 78.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.231 -0.918 . . . . 2.75 110.053 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.803 ' C ' HD12 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -61.18 -79.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.313 -0.867 . . . . 2.0 110.242 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.53 ' HA ' ' HB2' ' B' ' 75' ' ' LEU . 1.3 p-10 -39.46 -27.58 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.273 -0.892 . . . . 0.69999999999999996 110.251 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -62.88 -66.66 0.51 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 0.64000000000000001 108.955 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.544 HD23 ' HD3' ' B' ' 70' ' ' ARG . 1.8 pp -72.28 -23.66 61.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.3 109.092 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.897 HD22 ' HB3' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -65.42 -46.99 77.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.434 -0.791 . . . . 0.52000000000000002 109.524 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 72' ' ' ASN . 4.9 tt0 -70.36 -33.98 72.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.373 -0.83 . . . . 1.3500000000000001 109.838 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -63.74 -11.45 26.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.1000000000000001 109.708 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.485 ' HB3' HG22 ' A' ' 79' ' ' VAL . 2.7 tp-100 -109.96 -40.96 4.6 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.068 -1.086 . . . . 1.98 108.068 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.886 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.3 -1.568 0 N-CA-C 108.778 -0.823 . . . . 0.77000000000000002 108.778 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.662 HD12 ' CZ ' ' B' ' 23' ' ' PHE . 1.9 mm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.868 -0.419 . . . . 1.72 109.868 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 2.2 mtmm -28.93 -40.69 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.243 0.545 . . . . 4.71 111.082 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -57.49 -62.96 1.41 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.82 -1.175 . . . . 2.7599999999999998 108.205 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.479 ' O ' ' HB2' ' A' ' 25' ' ' SER . 0.6 OUTLIER -55.64 -44.44 77.14 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.078 -1.082 . . . . 1.6399999999999999 108.078 178.169 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CZ ' HD12 ' B' ' 19' ' ' ILE . 2.8 m-30 -45.05 -60.99 1.81 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.56 -0.904 . . . . 1.9299999999999999 108.56 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 54.6 t-80 -40.61 -37.13 0.68 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.429 0.633 . . . . 2.3100000000000001 109.639 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -62.87 -41.21 99.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 1.74 110.282 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.646 ' CD1' ' HB3' ' B' ' 44' ' ' LEU . 1.9 mp -75.44 -41.25 56.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.037 -1.04 . . . . 1.74 109.76 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -45.99 15.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.538 -0.726 . . . . 2.2599999999999998 109.848 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -95.93 15.19 21.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 2.29 109.43 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.548 ' CB ' ' HA ' ' A' ' 26' ' ' LEU . 22.8 t -90.91 -52.94 4.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.565 -0.709 . . . . 1.4399999999999999 109.677 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.777 ' CG2' HG21 ' B' ' 51' ' ' ILE . 88.6 t . . . . . 0 C--N 1.312 -1.061 0 O-C-N 120.925 -1.11 . . . . 1.3 109.946 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' HA ' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.132 0.492 . . . . 2.8399999999999999 109.946 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 4.9 mt -63.83 -28.28 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.576 -1.268 . . . . 2.9500000000000002 107.576 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.898 HD21 HD21 ' B' ' 44' ' ' LEU . 1.3 mp -86.93 -45.08 11.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.535 -0.757 . . . . 1.4299999999999999 110.191 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -43.18 -47.38 6.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 2.29 108.998 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 47' ' ' ALA . 8.0 mmtp -78.4 -56.41 4.47 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.686 -0.857 . . . . 2.6600000000000001 108.686 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 44' ' ' LEU . . . -35.72 -45.69 0.39 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 0.72999999999999998 110.487 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.631 HG23 ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -70.78 -50.96 30.22 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 1.76 110.561 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 78.6 mt-10 -51.5 -29.79 17.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -0.833 . . . . 2.2599999999999998 110.107 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CE1' HG11 ' A' ' 30' ' ' VAL . 6.0 m-85 -75.22 -44.32 46.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.851 . . . . 2.2599999999999998 110.582 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.842 HG21 ' CG2' ' B' ' 30' ' ' VAL . 78.2 mt -62.44 -75.29 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 0.88 110.543 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ILE . 16.1 pt20 -43.9 -34.48 1.66 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 2.4399999999999999 110.241 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 8.0 t80 -70.69 -46.01 63.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 1.73 110.054 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.718 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -67.74 -53.18 29.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 1.3999999999999999 110.249 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.39 -43.91 16.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.095 -1.003 . . . . 2.6000000000000001 109.959 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -55.4 10.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.231 -0.918 . . . . 2.46 110.139 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.713 ' HG2' HD12 ' A' ' 61' ' ' LEU . 7.5 tttt -58.92 -44.97 91.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.922 . . . . 2.3599999999999999 110.04 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 54' ' ' MET . 99.4 t -54.08 -51.98 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -0.907 . . . . 1.3999999999999999 109.977 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.88 -51.48 60.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 2.1200000000000001 109.875 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 p -62.58 -49.81 73.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.297 -0.877 . . . . 1.3500000000000001 109.889 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.713 HD12 ' HG2' ' A' ' 57' ' ' LYS . 7.8 mt -55.99 -59.92 4.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.80000000000000004 109.83 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 65' ' ' ILE . 45.7 tp60 -43.97 -58.15 2.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 1.8500000000000001 109.963 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -45.64 -33.06 2.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 1.75 109.721 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -22.17 56.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.831 . . . . 1.4299999999999999 109.821 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.605 HD11 HD11 ' B' ' 65' ' ' ILE . 2.5 mt -80.83 -48.24 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 0.56000000000000005 109.35 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.38 -40.55 96.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 2.02 109.532 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.05 -52.58 64.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.32 -0.863 . . . . 1.6000000000000001 109.663 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 45.6 mt -60.71 -43.6 97.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.68000000000000005 109.65 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -50.8 14.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 2.2000000000000002 109.806 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.506 ' O ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.08 -38.78 83.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.414 -0.803 . . . . 3.0099999999999998 110.305 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.842 ' O ' HD12 ' A' ' 75' ' ' LEU . 13.9 mm100 -56.7 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.153 -0.967 . . . . 1.8899999999999999 110.626 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 71' ' ' GLN . 6.8 t30 -36.21 -31.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 0.95999999999999996 110.763 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -75.06 -37.15 61.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 0.68999999999999995 110.265 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' GLN . 6.3 mp -80.12 -38.88 30.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.8400000000000001 110.958 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 71' ' ' GLN . 4.3 mp -63.26 -41.93 99.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.845 -1.159 . . . . 0.54000000000000004 109.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' B' ' 75' ' ' LEU . 9.1 tt0 -66.8 -38.42 86.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.6499999999999999 110.111 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 69.5 tp60 -70.49 -2.56 14.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 1.8799999999999999 110.245 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -103.0 -47.44 4.36 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.679 -1.23 . . . . 1.5600000000000001 107.679 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.832 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.605 0 N-CA-C 108.735 -0.839 . . . . 0.72999999999999998 108.735 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.726 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 1.9 mm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.876 -0.416 . . . . 1.99 109.876 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.591 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 2.2 mtmm -28.59 -40.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 121.253 0.549 . . . . 2.8300000000000001 111.1 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -57.47 -63.09 1.35 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.831 -1.168 . . . . 2.7200000000000002 108.234 178.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' B' ' 25' ' ' SER . 0.6 OUTLIER -55.62 -44.25 76.9 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.155 -1.054 . . . . 1.8200000000000001 108.155 178.052 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.824 ' CD1' HD22 ' A' ' 44' ' ' LEU . 2.7 m-30 -45.19 -60.92 1.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.584 -0.895 . . . . 1.6200000000000001 108.584 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' PHE . 54.6 t-80 -40.72 -37.06 0.69 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.359 0.6 . . . . 2.4100000000000001 109.679 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' B' ' 29' ' ' SER . 0.1 OUTLIER -62.85 -41.34 99.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.448 -0.783 . . . . 1.3600000000000001 110.228 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.631 ' HG ' HG23 ' A' ' 48' ' ' THR . 1.8 mp -75.3 -41.39 57.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.081 -1.012 . . . . 1.6299999999999999 109.7 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.95 -45.86 15.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.4500000000000002 109.871 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -96.13 15.24 21.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 1.76 109.415 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.537 ' CB ' ' HA ' ' B' ' 26' ' ' LEU . 30.4 t -91.08 -52.0 5.05 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.442 -0.786 . . . . 1.24 109.81 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.842 ' CG2' HG21 ' A' ' 51' ' ' ILE . 91.6 t . . . . . 0 C--N 1.303 -1.449 0 O-C-N 121.144 -0.972 . . . . 0.84999999999999998 110.197 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLN . . . . . 0.446 ' HA ' ' HB2' ' B' ' 45' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.096 0.474 . . . . 2.48 110.006 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.487 HG22 ' HB3' ' B' ' 26' ' ' LEU . 4.3 mt -63.77 -28.3 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 107.594 -1.261 . . . . 2.3999999999999999 107.594 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.898 HD21 HD21 ' A' ' 44' ' ' LEU . 1.2 mp -86.96 -44.94 11.24 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.579 -0.737 . . . . 1.55 110.192 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.446 ' HB2' ' HA ' ' B' ' 42' ' ' GLN . 0.4 OUTLIER -43.24 -47.53 6.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.397 -0.814 . . . . 2.4900000000000002 109.012 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' B' ' 47' ' ' ALA . 7.9 mmtp -78.3 -56.05 4.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.819 -0.808 . . . . 2.1400000000000001 108.819 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' B' ' 44' ' ' LEU . . . -36.99 -44.63 0.52 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.545 -0.722 . . . . 0.70999999999999996 110.729 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.527 HG23 ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -70.99 -50.77 30.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.172 -0.955 . . . . 2.02 110.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' B' ' 53' ' ' TYR . 77.5 mt-10 -51.53 -29.78 18.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.27 110.085 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.598 ' CE1' HG11 ' B' ' 30' ' ' VAL . 5.9 m-85 -75.16 -44.4 46.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 2.3599999999999999 110.587 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.777 HG21 ' CG2' ' A' ' 30' ' ' VAL . 77.8 mt -62.36 -75.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.096 -1.002 . . . . 1.3300000000000001 110.549 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' B' ' 51' ' ' ILE . 16.1 pt20 -43.9 -34.47 1.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 2.4900000000000002 110.224 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.512 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 7.7 t80 -70.72 -46.03 63.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 1.48 110.013 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.71 ' O ' HG23 ' B' ' 58' ' ' VAL . 0.5 OUTLIER -67.75 -53.14 29.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.313 -0.867 . . . . 0.95999999999999996 110.249 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.48 -43.82 17.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.14 -0.975 . . . . 2.5299999999999998 109.95 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -55.36 10.78 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 3.1000000000000001 110.12 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.719 ' HG2' HD12 ' B' ' 61' ' ' LEU . 7.9 tttt -58.85 -45.02 91.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -0.903 . . . . 1.52 110.028 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 54' ' ' MET . 99.2 t -54.16 -51.86 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.85999999999999999 109.968 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.96 -51.46 61.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 1.96 109.841 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 57' ' ' LYS . 3.3 p -62.56 -49.77 73.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.353 -0.842 . . . . 0.83999999999999997 109.945 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.719 HD12 ' HG2' ' B' ' 57' ' ' LYS . 7.8 mt -56.12 -59.85 4.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 1.0600000000000001 109.795 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' B' ' 65' ' ' ILE . 47.5 tp60 -43.75 -58.41 2.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 1.52 109.895 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.58 -32.95 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 1.5 109.765 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -22.02 55.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.341 -0.849 . . . . 1.3899999999999999 109.794 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.605 HD11 HD11 ' A' ' 65' ' ' ILE . 2.4 mt -81.07 -48.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.417 -0.802 . . . . 0.64000000000000001 109.337 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.37 -40.53 96.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.344 -0.848 . . . . 1.77 109.515 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.02 -52.82 63.75 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 1.8799999999999999 109.594 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' B' ' 71' ' ' GLN . 45.6 mt -60.55 -43.55 97.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.91 . . . . 1.0700000000000001 109.696 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.608 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 0.0 OUTLIER -45.98 -50.84 14.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 2.25 109.857 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ARG . . . . . 0.497 ' O ' HD13 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.16 -38.62 83.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.413 -0.804 . . . . 2.75 110.353 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.846 ' O ' HD12 ' B' ' 75' ' ' LEU . 13.9 mm100 -56.86 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.146 -0.971 . . . . 2.0 110.691 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' B' ' 69' ' ' LYS . 0.6 OUTLIER -37.67 -29.99 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.394 -0.816 . . . . 0.69999999999999996 110.793 -179.216 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -75.39 -37.17 60.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 0.64000000000000001 110.087 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 71' ' ' GLN . 6.2 mp -80.21 -38.83 30.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 1.3 110.913 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.846 HD12 ' O ' ' B' ' 71' ' ' GLN . 4.5 mp -63.39 -41.82 98.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.786 -1.196 . . . . 0.52000000000000002 109.796 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 9.4 tt0 -66.82 -38.21 86.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 1.3500000000000001 110.12 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' B' ' 77' ' ' GLN . 69.4 tp60 -70.73 -2.45 14.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.284 -0.885 . . . . 2.1000000000000001 110.202 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -103.07 -47.45 4.34 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.721 -1.215 . . . . 1.98 107.721 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.298 -1.648 0 N-CA-C 108.646 -0.872 . . . . 0.77000000000000002 108.646 177.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.564 HD12 HD12 ' B' ' 19' ' ' ILE . 3.3 pt . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 109.694 -0.484 . . . . 1.72 109.694 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -27.77 -52.88 0.08 Allowed 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.546 -0.721 . . . . 4.71 110.311 179.019 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.3 m-20 -55.18 -60.28 3.6 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.827 -1.175 . . . . 2.7599999999999998 107.827 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ILE . 1.5 t -57.06 -47.02 81.99 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.159 -1.052 . . . . 1.6399999999999999 108.159 177.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.552 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . 1.2 m-85 -43.99 -56.64 3.82 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.646 -0.872 . . . . 1.9299999999999999 108.646 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 21' ' ' ASP . 3.9 t-80 -42.61 -47.48 5.24 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.694 -0.802 . . . . 2.3100000000000001 108.901 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.734 ' HB3' HG21 ' B' ' 48' ' ' THR . 0.1 OUTLIER -63.14 -49.54 73.98 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.332 -0.947 . . . . 1.74 108.508 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.59 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -54.05 -37.79 64.53 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.399 -0.963 . . . . 1.74 108.399 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 24' ' ' HIS . 3.3 tpt180 -53.2 -32.98 50.79 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.089 -1.078 . . . . 2.2599999999999998 108.089 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 25' ' ' SER . 36.4 t70 -67.65 -26.1 66.05 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.901 -0.777 . . . . 2.29 108.901 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.662 ' HB3' HG21 ' B' ' 51' ' ' ILE . 49.4 m -66.25 -76.18 0.08 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.517 -0.92 . . . . 1.4399999999999999 108.517 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.609 HG11 ' HG2' ' A' ' 46' ' ' LYS . 1.6 t . . . . . 0 C--N 1.312 -1.062 0 O-C-N 120.932 -1.105 . . . . 1.3 108.808 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.525 0.678 . . . . 2.8399999999999999 110.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.59 HG21 ' HB3' ' A' ' 26' ' ' LEU . 1.1 mp -72.79 -21.06 19.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 C-N-CA 118.878 -1.129 . . . . 2.9500000000000002 109.986 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' B' ' 44' ' ' LEU . 3.6 mt -61.72 -52.9 62.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.513 -1.367 . . . . 1.4299999999999999 107.973 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -50.17 -55.1 16.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.17 -0.956 . . . . 2.29 108.576 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.609 ' HG2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -64.09 -63.61 1.11 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.285 -0.884 . . . . 2.6600000000000001 109.429 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.548 ' HB1' ' HB1' ' B' ' 47' ' ' ALA . . . -33.75 -55.65 0.46 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.937 -0.477 . . . . 0.72999999999999998 111.204 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.746 HG21 ' HB3' ' B' ' 25' ' ' SER . 1.2 m -55.14 -53.0 61.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.12 -0.987 . . . . 1.76 110.857 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -63.22 -24.53 67.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.118 -0.989 . . . . 2.2599999999999998 110.552 -179.217 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.572 ' HD2' HG23 ' B' ' 51' ' ' ILE . 1.9 m-30 -78.55 -51.1 10.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.132 -0.98 . . . . 2.2599999999999998 110.403 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' B' ' 29' ' ' SER . 23.6 mt -52.43 -56.29 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.88 110.444 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -65.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.177 -0.952 . . . . 2.4399999999999999 110.344 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -46.9 -63.25 1.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 1.73 110.272 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 40.7 mtt -45.79 -72.61 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 1.3999999999999999 111.191 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' MET . 1.6 ttp180 -39.49 -49.16 2.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.319 -0.863 . . . . 2.6000000000000001 110.971 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 2.46 110.472 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -51.14 -45.52 61.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 2.3599999999999999 110.521 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' MET . 30.2 t -40.82 -59.94 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 1.3999999999999999 110.611 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.56 -60.39 3.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 2.1200000000000001 110.584 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.2 m -52.65 -51.44 60.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 1.3500000000000001 110.566 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 61' ' ' LEU . 12.0 mt -49.56 -65.93 0.48 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 0.80000000000000004 110.757 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.537 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.37 2.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.322 -0.861 . . . . 1.8500000000000001 110.662 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.03 -39.2 1.85 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -0.938 . . . . 1.75 110.35 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -72.85 -28.48 62.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 1.4299999999999999 110.033 179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.542 HD11 HD11 ' B' ' 65' ' ' ILE . 1.8 mt -74.16 -32.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.327 -0.858 . . . . 0.56000000000000005 109.503 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -54.88 11.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 2.02 110.034 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -52.62 -35.06 53.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -0.9 . . . . 1.6000000000000001 110.15 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 64' ' ' ASP . 1.6 mm? -68.19 -68.9 0.36 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.68000000000000005 110.94 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HA ' HD11 ' B' ' 68' ' ' LEU . 0.0 OUTLIER -40.77 -31.06 0.14 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.747 . . . . 2.2000000000000002 110.214 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.54 -47.94 62.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.271 -0.893 . . . . 3.0099999999999998 110.164 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.879 ' C ' HD12 ' A' ' 75' ' ' LEU . 88.6 mm-40 -60.48 -76.05 0.05 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.317 -0.864 . . . . 1.8899999999999999 110.672 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' OD1' ' HA ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -39.14 -26.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.29 -0.881 . . . . 0.95999999999999996 110.645 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -73.61 -48.01 35.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.94 -1.1 . . . . 0.68999999999999995 109.118 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 70' ' ' ARG . 1.2 mt -73.48 -36.16 65.77 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.747 . . . . 1.8400000000000001 109.296 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.879 HD12 ' C ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -57.87 -54.28 48.71 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.426 -0.796 . . . . 0.54000000000000004 109.36 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 3.6 mt-10 -52.69 -46.24 67.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.491 -0.756 . . . . 1.6499999999999999 110.074 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -19.35 3.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 1.8799999999999999 109.99 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -106.13 -43.28 4.86 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.191 -1.04 . . . . 1.5600000000000001 108.191 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.117 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.59 0 CA-C-N 115.833 -0.621 . . . . 0.72999999999999998 109.627 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.564 HD12 HD12 ' A' ' 19' ' ' ILE . 3.3 pt . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.667 -0.494 . . . . 1.99 109.667 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 19' ' ' ILE . 0.8 OUTLIER -27.76 -52.77 0.08 Allowed 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.548 -0.72 . . . . 2.8300000000000001 110.355 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 6.4 m-20 -55.3 -60.25 3.66 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.836 -1.172 . . . . 2.7200000000000002 107.836 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' B' ' 19' ' ' ILE . 1.5 t -57.01 -47.1 81.68 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.124 -1.065 . . . . 1.8200000000000001 108.124 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.536 ' HB2' ' HA ' ' B' ' 20' ' ' LYS . 1.1 m-85 -43.96 -56.69 3.77 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.618 -0.882 . . . . 1.6200000000000001 108.618 178.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.495 ' HB3' ' O ' ' B' ' 21' ' ' ASP . 3.9 t-80 -42.64 -47.45 5.29 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.714 -0.795 . . . . 2.4100000000000001 108.887 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.746 ' HB3' HG21 ' A' ' 48' ' ' THR . 0.1 OUTLIER -63.07 -49.62 73.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.487 -0.931 . . . . 1.3600000000000001 108.487 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB3' ' CB ' ' B' ' 43' ' ' ILE . 0.4 OUTLIER -53.99 -37.85 64.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.375 -0.972 . . . . 1.6299999999999999 108.375 178.43 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' B' ' 24' ' ' HIS . 3.3 tpt180 -53.24 -32.92 50.71 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.137 -1.06 . . . . 2.4500000000000002 108.137 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' B' ' 25' ' ' SER . 36.4 t70 -67.66 -26.46 66.22 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 108.921 -0.77 . . . . 1.76 108.921 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.693 ' HB3' HG21 ' A' ' 51' ' ' ILE . 49.7 m -66.0 -74.78 0.1 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.599 -0.841 . . . . 1.24 108.794 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.639 HG11 ' HG2' ' B' ' 46' ' ' LYS . 1.4 t . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.84999999999999998 109.114 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 121.456 0.646 . . . . 2.48 110.343 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.583 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 1.0 OUTLIER -72.91 -20.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 C-N-CA 118.905 -1.118 . . . . 2.3999999999999999 109.981 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.827 ' CD2' HD22 ' A' ' 44' ' ' LEU . 3.5 mt -61.77 -52.88 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.492 -1.38 . . . . 1.55 107.987 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -50.23 -55.13 16.58 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.149 -0.969 . . . . 2.4900000000000002 108.548 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.639 ' HG2' HG11 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -63.97 -63.75 1.07 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.521 -0.871 . . . . 2.1400000000000001 109.482 178.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -34.23 -55.06 0.51 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.845 -0.535 . . . . 0.70999999999999996 111.434 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.734 HG21 ' HB3' ' A' ' 25' ' ' SER . 1.2 m -55.08 -53.08 60.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.048 -1.032 . . . . 2.02 110.713 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.543 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 0.1 OUTLIER -63.16 -24.57 67.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 2.27 110.583 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.546 ' HD2' HG23 ' A' ' 51' ' ' ILE . 1.9 m-30 -78.52 -51.18 10.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.126 -0.984 . . . . 2.3599999999999999 110.422 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.662 HG21 ' HB3' ' A' ' 29' ' ' SER . 24.0 mt -52.43 -56.24 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 1.3300000000000001 110.397 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -65.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 2.4900000000000002 110.341 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.483 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -46.92 -63.12 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 1.48 110.25 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.48 ' O ' HG23 ' B' ' 58' ' ' VAL . 40.8 mtt -45.84 -72.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.95999999999999996 111.174 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.416 ' O ' ' HB ' ' B' ' 58' ' ' VAL . 1.5 ttp180 -39.37 -49.22 1.99 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.263 -0.898 . . . . 2.5299999999999998 110.939 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.35 -73.21 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 3.1000000000000001 110.502 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -51.15 -45.58 61.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 1.52 110.57 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 54' ' ' MET . 29.2 t -40.76 -60.04 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.29 -0.881 . . . . 0.85999999999999999 110.583 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.48 -60.37 3.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.918 . . . . 1.96 110.629 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 94.1 m -52.78 -51.36 60.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.181 -0.95 . . . . 0.83999999999999997 110.552 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' B' ' 61' ' ' LEU . 12.0 mt -49.6 -65.94 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.232 -0.918 . . . . 1.0600000000000001 110.686 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.525 ' HA ' HG13 ' B' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.33 2.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.325 -0.859 . . . . 1.52 110.626 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' B' ' 62' ' ' GLN . 0.0 OUTLIER -41.95 -39.37 1.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 1.5 110.398 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.631 ' O ' HD23 ' B' ' 68' ' ' LEU . 0.8 OUTLIER -72.75 -28.48 62.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 1.3899999999999999 110.066 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.542 HD11 HD11 ' A' ' 65' ' ' ILE . 1.9 mt -74.19 -32.67 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.31 -0.869 . . . . 0.64000000000000001 109.497 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -54.93 11.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 1.77 110.012 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' B' ' 71' ' ' GLN . 71.7 m-20 -52.55 -35.14 53.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 1.8799999999999999 110.157 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.631 HD23 ' O ' ' B' ' 64' ' ' ASP . 1.7 mm? -68.18 -69.01 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.242 -0.911 . . . . 1.0700000000000001 110.952 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.67 -30.72 0.13 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.439 -0.788 . . . . 2.25 110.317 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -69.92 -47.93 60.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 2.75 110.092 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.884 ' C ' HD12 ' B' ' 75' ' ' LEU . 88.8 mm-40 -60.4 -75.88 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 2.0 110.696 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' B' ' 69' ' ' LYS . 9.3 p-10 -38.77 -27.12 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.281 -0.887 . . . . 0.69999999999999996 110.706 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -73.59 -47.96 36.37 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 0.64000000000000001 109.155 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 1.2 mt -73.59 -36.04 65.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.531 -0.731 . . . . 1.3 109.316 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.884 HD12 ' C ' ' B' ' 71' ' ' GLN . 0.4 OUTLIER -57.93 -54.12 50.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.404 -0.81 . . . . 0.52000000000000002 109.356 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.513 ' HG3' HD21 ' A' ' 75' ' ' LEU . 3.5 mt-10 -52.91 -46.25 67.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 1.3500000000000001 109.982 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -19.29 3.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.197 -0.939 . . . . 2.1000000000000001 110.001 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -106.17 -43.33 4.84 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.155 -1.054 . . . . 1.98 108.155 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 1.117 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.3 -1.576 0 CA-C-N 115.81 -0.632 . . . . 0.77000000000000002 109.649 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.042 HG23 HD12 ' B' ' 44' ' ' LEU . 31.4 mm . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 108.78 -0.822 . . . . 1.72 108.78 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 19.0 mttp -32.69 -44.47 0.11 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.579 -0.701 . . . . 4.71 110.459 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.99 -57.12 14.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.829 -1.169 . . . . 2.7599999999999998 108.132 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' LEU . 39.8 m -59.98 -38.32 82.22 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.188 -1.042 . . . . 1.6399999999999999 108.188 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.816 ' CE1' HD11 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -50.84 -61.97 1.89 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.306 -0.998 . . . . 1.9299999999999999 108.306 178.457 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -44.17 -44.14 7.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.322 -0.951 . . . . 2.3100000000000001 108.948 179.038 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -70.01 -31.97 69.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.782 . . . . 1.74 108.911 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.743 ' HB3' HD13 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -77.55 -52.04 9.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.562 -0.711 . . . . 1.74 109.682 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.567 ' N ' HG12 ' A' ' 43' ' ' ILE . 4.6 ttm180 -51.48 -39.39 57.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 2.2599999999999998 109.057 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -77.53 -2.43 35.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.535 -0.728 . . . . 2.29 109.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.512 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -88.02 -41.07 13.36 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.353 -0.842 . . . . 1.4399999999999999 111.566 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 30' ' ' VAL . 92.6 t . . . . . 0 N--CA 1.488 1.472 0 O-C-N 120.362 -1.461 . . . . 1.3 111.109 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.291 0.567 . . . . 2.8399999999999999 112.451 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -75.55 -55.18 12.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.059 -1.651 . . . . 2.9500000000000002 108.561 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.045 HD12 HG23 ' B' ' 19' ' ' ILE . 5.3 mt -31.56 -38.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.203 0.525 . . . . 1.4299999999999999 110.296 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.6 t0 -66.82 -59.04 3.89 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.546 -1.279 . . . . 2.29 107.546 177.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 2.2 mmtt -68.29 -39.71 82.0 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 119.381 -0.928 . . . . 2.6600000000000001 110.078 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.474 ' O ' HG13 ' A' ' 51' ' ' ILE . . . -52.69 -67.32 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.026 -1.046 . . . . 0.72999999999999998 110.457 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.53 HG23 ' HG ' ' B' ' 26' ' ' LEU . 1.3 m -43.99 -55.19 4.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.064 -1.023 . . . . 1.76 110.659 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.57 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.53 71.81 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 118.542 -1.263 . . . . 2.2599999999999998 110.053 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.57 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 m-85 -66.84 -48.73 67.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 2.2599999999999998 110.932 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 10.6 mt -50.87 -34.46 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.047 -1.033 . . . . 0.88 110.617 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' TYR . 21.8 mm-40 -89.04 -65.12 1.05 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 2.4399999999999999 110.337 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -41.08 -34.03 0.4 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.277 -0.889 . . . . 1.73 110.194 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.477 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 3.7 mmt -81.42 -53.06 6.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.107 -0.996 . . . . 1.3999999999999999 110.449 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -49.2 -45.92 44.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 2.6000000000000001 110.175 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.6 -41.24 75.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 2.46 110.168 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.75 -56.53 18.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 2.3599999999999999 110.07 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.29 -32.46 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 1.3999999999999999 110.145 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -63.29 -67.56 0.41 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 2.1200000000000001 110.018 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.4 m -63.11 -27.0 69.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -0.919 . . . . 1.3500000000000001 110.018 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 64' ' ' ASP . 19.8 mt -69.41 -72.28 0.19 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.80000000000000004 109.934 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.8 OUTLIER -40.42 -50.61 2.87 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.546 -0.721 . . . . 1.8500000000000001 110.118 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.46 -32.6 27.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.276 -0.89 . . . . 1.75 109.773 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.2 m-20 -82.72 -21.4 34.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 1.4299999999999999 109.966 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.567 HD11 HD11 ' B' ' 65' ' ' ILE . 2.5 mt -76.46 -38.79 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 0.56000000000000005 109.16 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -42.92 68.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.825 . . . . 2.02 109.275 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 12.4 t0 -56.91 -43.7 81.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.367 -0.833 . . . . 1.6000000000000001 109.509 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 62.2 mt -68.97 -48.46 63.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.68000000000000005 109.586 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.627 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 10.1 ttmt -48.77 -49.72 37.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.2000000000000002 109.631 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.692 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -59.34 -46.95 87.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.281 -0.887 . . . . 3.0099999999999998 109.778 179.586 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.862 ' O ' HD12 ' A' ' 75' ' ' LEU . 73.2 mt-30 -47.56 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 1.8899999999999999 110.754 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.627 ' ND2' ' O ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -38.6 -26.79 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.201 -0.937 . . . . 0.95999999999999996 110.967 -178.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -66.57 -35.67 80.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.877 -1.139 . . . . 0.68999999999999995 109.507 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' A' ' 70' ' ' ARG . 6.1 mp -85.84 -47.48 9.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.451 -0.78 . . . . 1.8400000000000001 110.559 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.862 HD12 ' O ' ' A' ' 71' ' ' GLN . 3.1 mp -61.54 -24.44 66.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.991 -1.068 . . . . 0.54000000000000004 109.572 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' B' ' 75' ' ' LEU . 1.6 tp10 -80.82 -48.91 11.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 1.6499999999999999 110.362 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.49 ' HG2' ' HA ' ' A' ' 74' ' ' LEU . 11.3 pt20 -67.28 -6.85 20.25 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.189 -0.944 . . . . 1.8799999999999999 110.253 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -105.25 -42.5 5.25 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.037 -1.097 . . . . 1.5600000000000001 108.037 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.062 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.622 0 N-CA-C 109.203 -0.666 . . . . 0.72999999999999998 109.203 178.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 1.045 HG23 HD12 ' A' ' 44' ' ' LEU . 32.0 mm . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 108.871 -0.789 . . . . 1.99 108.871 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.565 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 18.8 mttp -32.8 -44.59 0.11 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.619 -0.675 . . . . 2.8300000000000001 110.475 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.86 -57.23 13.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.871 -1.143 . . . . 2.7200000000000002 108.142 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.488 ' O ' ' N ' ' B' ' 26' ' ' LEU . 40.0 m -59.92 -38.13 81.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.208 -1.034 . . . . 1.8200000000000001 108.208 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.818 ' CE1' HD11 ' B' ' 44' ' ' LEU . 0.8 OUTLIER -51.03 -61.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.314 -0.995 . . . . 1.6200000000000001 108.314 178.52 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -44.25 -44.13 7.76 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.339 -0.944 . . . . 2.4100000000000001 109.0 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -69.94 -32.02 70.07 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.864 -0.791 . . . . 1.3600000000000001 108.864 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.77 ' HB3' HD13 ' B' ' 43' ' ' ILE . 0.5 OUTLIER -77.36 -53.0 8.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 1.6299999999999999 109.642 179.295 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.57 ' N ' HG12 ' B' ' 43' ' ' ILE . 4.5 ttm180 -50.66 -39.55 51.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.17 -0.956 . . . . 2.4500000000000002 109.14 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.54 -2.28 34.79 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.54 -0.725 . . . . 1.76 109.538 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -87.85 -42.29 12.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.323 -0.861 . . . . 1.24 111.341 -179.321 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.601 HG12 ' O ' ' B' ' 30' ' ' VAL . 92.9 t . . . . . 0 N--CA 1.49 1.552 0 O-C-N 120.454 -1.404 . . . . 0.84999999999999998 111.346 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.302 0.573 . . . . 2.48 112.438 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.77 HD13 ' HB3' ' B' ' 26' ' ' LEU . 0.9 OUTLIER -75.67 -55.08 12.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 120.024 -1.673 . . . . 2.3999999999999999 108.588 -179.65 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 1.042 HD12 HG23 ' A' ' 19' ' ' ILE . 5.4 mt -31.55 -38.33 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.209 0.528 . . . . 1.55 110.341 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 43' ' ' ILE . 5.6 t0 -66.92 -59.09 3.81 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.492 -1.299 . . . . 2.4900000000000002 107.492 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.609 ' HZ2' ' HE2' ' B' ' 50' ' ' TYR . 2.3 mmtt -68.08 -39.62 82.86 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 119.33 -0.948 . . . . 2.1400000000000001 110.174 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -53.43 -66.94 0.3 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.09 . . . . 0.70999999999999996 110.59 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.509 HG23 ' HG ' ' A' ' 26' ' ' LEU . 1.3 m -43.84 -55.14 4.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.057 -1.027 . . . . 2.02 110.548 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.56 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.45 71.68 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.584 -1.246 . . . . 2.27 109.992 -179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.609 ' HE2' ' HZ2' ' B' ' 46' ' ' LYS . 1.3 m-85 -67.02 -48.6 67.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.995 . . . . 2.3599999999999999 111.0 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' B' ' 55' ' ' ARG . 10.6 mt -50.84 -34.61 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.054 -1.029 . . . . 1.3300000000000001 110.57 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' B' ' 53' ' ' TYR . 22.0 mm-40 -88.92 -65.0 1.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.07 -1.019 . . . . 2.4900000000000002 110.451 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -41.27 -33.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.341 -0.849 . . . . 1.48 110.18 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.477 ' SD ' ' HB3' ' A' ' 54' ' ' MET . 3.7 mmt -81.4 -53.13 6.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 0.95999999999999996 110.448 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -49.15 -45.95 44.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.117 -0.99 . . . . 2.5299999999999998 110.125 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -69.58 -41.3 75.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.296 -0.878 . . . . 3.1000000000000001 110.099 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.0 OUTLIER -61.72 -56.49 19.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 1.52 110.077 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.27 -32.59 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 0.85999999999999999 110.155 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.18 -67.52 0.42 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 1.96 110.063 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 91.6 m -63.21 -27.01 69.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.83999999999999997 109.974 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.514 ' O ' HG13 ' B' ' 65' ' ' ILE . 19.9 mt -69.39 -72.16 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.913 . . . . 1.0600000000000001 109.943 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.513 ' CA ' HG13 ' B' ' 65' ' ' ILE . 0.8 OUTLIER -40.55 -50.55 2.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.522 -0.736 . . . . 1.52 110.103 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.59 -32.52 28.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.863 . . . . 1.5 109.767 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 61' ' ' LEU . 1.2 m-20 -82.69 -21.4 34.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.3899999999999999 109.919 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.567 HD11 HD11 ' A' ' 65' ' ' ILE . 2.6 mt -76.53 -38.7 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.64000000000000001 109.152 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -43.02 68.29 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.387 -0.821 . . . . 1.77 109.274 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' B' ' 71' ' ' GLN . 12.6 t0 -56.77 -43.76 81.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.371 -0.831 . . . . 1.8799999999999999 109.463 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 68' ' ' LEU . 63.9 mt -69.04 -48.31 63.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 1.0700000000000001 109.605 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.441 ' HA ' HD22 ' A' ' 68' ' ' LEU . 10.1 ttmt -48.86 -49.86 37.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 2.25 109.607 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -59.05 -47.27 85.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 2.75 109.82 179.545 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.856 ' O ' HD12 ' B' ' 75' ' ' LEU . 73.0 mt-30 -47.27 -81.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 2.0 110.675 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -36.7 -29.3 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.69999999999999996 110.734 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -66.38 -35.67 80.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.085 -1.009 . . . . 0.64000000000000001 109.727 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 6.1 mp -85.83 -47.6 9.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 1.3 110.558 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.856 HD12 ' O ' ' B' ' 71' ' ' GLN . 3.1 mp -61.34 -24.54 66.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.012 -1.055 . . . . 0.52000000000000002 109.576 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 1.6 tp10 -80.8 -48.82 11.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.816 . . . . 1.3500000000000001 110.436 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' B' ' 74' ' ' LEU . 11.3 pt20 -67.39 -6.78 20.6 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.157 -0.964 . . . . 2.1000000000000001 110.216 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -105.27 -42.56 5.23 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.952 -1.129 . . . . 1.98 107.952 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 1.062 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.298 -1.642 0 N-CA-C 109.168 -0.678 . . . . 0.77000000000000002 109.168 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.681 HG22 HD22 ' B' ' 44' ' ' LEU . 10.1 pt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.887 -0.412 . . . . 1.72 109.887 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 23.9 mtpt -40.9 -59.37 1.45 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.206 -0.934 . . . . 4.71 109.626 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' LYS . 84.3 m-20 -45.0 -46.21 11.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.46 -0.941 . . . . 2.7599999999999998 108.46 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.539 ' CB ' ' HB3' ' B' ' 44' ' ' LEU . 1.0 OUTLIER -70.97 -47.68 57.61 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.955 -0.698 . . . . 1.6399999999999999 109.286 178.611 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.951 ' CE1' HD21 ' B' ' 44' ' ' LEU . 4.9 m-30 -43.86 -67.56 0.27 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.667 -0.864 . . . . 1.9299999999999999 108.667 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' PHE . 64.4 m80 -40.41 -53.99 2.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.592 -0.692 . . . . 2.3100000000000001 109.947 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.51 ' HB3' HG21 ' B' ' 48' ' ' THR . 0.2 OUTLIER -62.04 -37.89 86.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 1.74 109.307 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.812 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -69.51 -51.21 37.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.531 -0.731 . . . . 1.74 109.535 179.476 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -50.52 -36.83 35.91 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.52 -0.918 . . . . 2.2599999999999998 108.52 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.73 65.78 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.6 -0.889 . . . . 2.29 108.6 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' LEU . 12.3 m -63.93 -61.71 2.11 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.823 -0.806 . . . . 1.4399999999999999 108.823 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.589 HG21 ' CD ' ' A' ' 46' ' ' LYS . 7.9 t . . . . . 0 N--CA 1.487 1.409 0 C-N-CA 119.028 -1.069 . . . . 1.3 109.584 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.178 0.513 . . . . 2.8399999999999999 111.715 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.812 HG21 ' HB3' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -79.07 -20.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.63 -1.294 . . . . 2.9500000000000002 108.827 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.969 HD21 ' CE1' ' B' ' 23' ' ' PHE . 5.9 mp -68.63 -47.45 66.58 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.209 -0.996 . . . . 1.4299999999999999 108.656 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -48.87 64.36 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.584 -0.895 . . . . 2.29 108.584 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.713 ' HZ3' HD13 ' B' ' 51' ' ' ILE . 0.2 OUTLIER -75.31 -40.64 58.28 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.405 -0.918 . . . . 2.6600000000000001 109.531 178.793 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.791 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -49.94 -48.34 51.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.502 -0.748 . . . . 0.72999999999999998 109.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.751 HG23 ' HA ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -65.26 -44.53 87.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.384 -0.823 . . . . 1.76 110.094 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 53' ' ' TYR . 37.6 mm-40 -61.87 -56.8 15.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 2.2599999999999998 110.135 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.502 ' O ' ' HB2' ' A' ' 54' ' ' MET . 2.8 m-30 -52.28 -64.84 0.69 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.114 -0.991 . . . . 2.2599999999999998 109.838 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' HA ' ' B' ' 47' ' ' ALA . 64.0 mt -41.65 -41.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 0.88 110.418 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' THR . 2.9 tt0 -80.1 -73.38 0.36 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.037 -1.039 . . . . 2.4399999999999999 110.304 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -44.58 -46.17 9.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 1.73 110.02 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.502 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -66.7 -55.65 14.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 1.3999999999999999 110.393 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 1.3 ttp180 -41.16 -71.23 0.09 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.217 -0.927 . . . . 2.6000000000000001 110.58 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -50.56 -28.83 9.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 2.46 110.453 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -71.39 -38.85 71.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 2.3599999999999999 110.24 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.75 HG22 HG22 ' B' ' 58' ' ' VAL . 98.6 t -65.58 -46.75 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.952 . . . . 1.3999999999999999 110.143 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -56.74 -60.86 2.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 2.1200000000000001 110.245 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' LEU . 97.6 m -51.83 -61.12 2.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.181 -0.949 . . . . 1.3500000000000001 110.173 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.1 mt -42.72 -46.96 5.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.268 -0.895 . . . . 0.80000000000000004 110.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.527 ' HA ' HG13 ' A' ' 65' ' ' ILE . 5.1 tm0? -57.49 -48.71 78.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 1.8500000000000001 110.472 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -35.28 28.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.125 -0.985 . . . . 1.75 110.211 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -72.46 -22.02 61.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 1.4299999999999999 110.176 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 HD22 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -83.56 -47.08 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.223 -0.923 . . . . 0.56000000000000005 109.597 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -44.92 82.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -0.887 . . . . 2.02 109.797 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -63.15 -55.66 23.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.339 -0.85 . . . . 1.6000000000000001 109.928 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' B' ' 69' ' ' LYS . 97.8 mt -60.26 -44.49 95.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.238 -0.913 . . . . 0.68000000000000005 110.324 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HA ' HD22 ' B' ' 68' ' ' LEU . 24.7 ttmt -48.89 -54.25 16.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.937 . . . . 2.2000000000000002 110.501 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.801 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -60.44 -40.29 90.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.201 -0.937 . . . . 3.0099999999999998 110.338 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.838 ' C ' HD12 ' A' ' 75' ' ' LEU . 40.3 mm-40 -50.55 -81.45 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.294 -0.879 . . . . 1.8899999999999999 110.537 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.515 ' HB3' ' HB3' ' B' ' 71' ' ' GLN . 0.8 OUTLIER -42.22 -26.78 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 0.95999999999999996 110.306 -179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -59.91 -64.49 0.93 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.022 . . . . 0.68999999999999995 109.606 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -77.55 -25.96 50.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 1.8400000000000001 109.545 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.882 HD22 ' HB3' ' B' ' 75' ' ' LEU . 0.3 OUTLIER -60.17 -47.8 84.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.372 -0.83 . . . . 0.54000000000000004 109.738 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 52.3 tt0 -72.66 -33.36 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 1.6499999999999999 109.875 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 1.6 mm-40 -58.83 -14.72 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.365 -0.834 . . . . 1.8799999999999999 109.975 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.438 ' HG2' HG22 ' B' ' 79' ' ' VAL . 2.5 tp60 -106.61 -36.7 6.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.862 -1.162 . . . . 1.5600000000000001 107.862 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.598 0 N-CA-C 108.754 -0.832 . . . . 0.72999999999999998 108.754 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.78 HG22 HD22 ' A' ' 44' ' ' LEU . 10.8 pt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 109.959 -0.385 . . . . 1.99 109.959 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.467 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 23.8 mtpt -41.14 -59.51 1.48 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.943 . . . . 2.8300000000000001 109.586 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' B' ' 20' ' ' LYS . 84.2 m-20 -44.75 -46.41 10.47 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.427 -0.953 . . . . 2.7200000000000002 108.427 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.532 ' CB ' ' HB3' ' A' ' 44' ' ' LEU . 1.2 t -70.69 -47.68 58.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.594 -0.691 . . . . 1.8200000000000001 109.301 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.969 ' CE1' HD21 ' A' ' 44' ' ' LEU . 4.9 m-30 -44.09 -67.44 0.28 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.739 -0.837 . . . . 1.6200000000000001 108.739 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' B' ' 23' ' ' PHE . 64.7 m80 -40.44 -54.29 2.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.63 -0.669 . . . . 2.4100000000000001 109.833 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.575 ' HB3' HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -61.75 -37.79 85.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.161 -0.962 . . . . 1.3600000000000001 109.391 179.146 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.816 ' HB3' HG21 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -69.6 -51.19 37.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 1.6299999999999999 109.575 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.55 -36.79 36.03 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.251 -0.905 . . . . 2.4500000000000002 108.562 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.6 65.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.66 -0.867 . . . . 1.76 108.66 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 26' ' ' LEU . 11.4 m -63.87 -62.74 1.45 Allowed 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.675 -0.861 . . . . 1.24 108.675 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.592 HG21 ' CD ' ' B' ' 46' ' ' LYS . 8.4 t . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 119.157 -1.017 . . . . 0.84999999999999998 109.789 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.212 0.529 . . . . 2.48 111.707 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.816 HG21 ' HB3' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -79.06 -20.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.697 -1.252 . . . . 2.3999999999999999 108.921 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.951 HD21 ' CE1' ' A' ' 23' ' ' PHE . 5.7 mp -68.9 -47.68 65.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.063 -1.023 . . . . 1.55 108.555 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -48.79 63.73 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.623 -0.881 . . . . 2.4900000000000002 108.623 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.66 ' HZ3' HD13 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -75.47 -40.55 57.23 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.39 -0.924 . . . . 2.1400000000000001 109.598 178.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.787 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -50.5 -47.68 57.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.387 -0.82 . . . . 0.70999999999999996 109.773 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -65.48 -44.2 87.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.432 -0.792 . . . . 2.02 110.003 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' B' ' 53' ' ' TYR . 37.6 mm-40 -62.09 -56.69 16.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.259 -0.901 . . . . 2.27 110.083 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' B' ' 54' ' ' MET . 2.7 m-30 -52.45 -64.68 0.74 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.121 -0.987 . . . . 2.3599999999999999 109.827 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.791 HD11 ' HA ' ' A' ' 47' ' ' ALA . 62.7 mt -41.92 -41.7 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.885 . . . . 1.3300000000000001 110.467 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' B' ' 48' ' ' THR . 2.9 tt0 -80.29 -73.07 0.38 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.054 -1.029 . . . . 2.4900000000000002 110.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -44.71 -46.27 10.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.304 -0.873 . . . . 1.48 109.971 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.485 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.3 OUTLIER -66.71 -55.27 15.85 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.95999999999999996 110.474 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' B' ' 51' ' ' ILE . 1.3 ttp180 -41.56 -71.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.294 -0.879 . . . . 2.5299999999999998 110.612 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -50.61 -28.85 9.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 3.1000000000000001 110.357 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' B' ' 54' ' ' MET . 0.1 OUTLIER -71.2 -39.11 71.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.176 -0.953 . . . . 1.52 110.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 58' ' ' VAL . 99.0 t -65.42 -46.73 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.85999999999999999 110.141 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -56.78 -60.6 3.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 1.96 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 61' ' ' LEU . 98.0 m -52.14 -61.02 2.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 0.83999999999999997 110.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.553 HD22 HD12 ' A' ' 65' ' ' ILE . 7.1 mt -42.71 -46.93 5.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -0.881 . . . . 1.0600000000000001 110.247 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.53 ' HA ' HG13 ' B' ' 65' ' ' ILE . 5.1 tm0? -57.45 -48.47 79.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 1.52 110.509 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -35.28 30.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 1.5 110.223 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.49 -21.94 61.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 1.3899999999999999 110.176 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' B' ' 62' ' ' GLN . 1.1 mt -83.58 -47.25 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 0.64000000000000001 109.676 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -44.99 81.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 1.77 109.8 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -63.2 -55.51 24.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.353 -0.842 . . . . 1.8799999999999999 109.933 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' B' ' 71' ' ' GLN . 97.2 mt -60.25 -44.59 95.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.91 . . . . 1.0700000000000001 110.248 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.518 ' HA ' HD22 ' A' ' 68' ' ' LEU . 24.6 ttmt -48.86 -54.34 15.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.188 -0.945 . . . . 2.25 110.486 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ARG . . . . . 0.797 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -60.32 -40.51 90.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 2.75 110.405 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.837 ' C ' HD12 ' B' ' 75' ' ' LEU . 40.7 mm-40 -50.21 -81.52 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 2.0 110.216 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -40.18 -29.2 0.07 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.328 -0.857 . . . . 0.69999999999999996 110.28 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -59.55 -64.72 0.84 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.919 . . . . 0.64000000000000001 109.73 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 71' ' ' GLN . 0.8 OUTLIER -77.39 -26.09 51.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 1.3 109.581 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.882 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -60.0 -47.97 83.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.422 -0.799 . . . . 0.52000000000000002 109.72 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.488 ' HA ' ' HB ' ' B' ' 79' ' ' VAL . 52.0 tt0 -72.52 -33.56 66.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.499 -0.75 . . . . 1.3500000000000001 109.842 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -58.56 -14.93 9.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 2.1000000000000001 109.989 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -106.51 -36.92 6.64 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.841 -1.17 . . . . 1.98 107.841 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.672 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.298 -1.645 0 N-CA-C 108.779 -0.823 . . . . 0.77000000000000002 108.779 178.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.258 0.551 . . . . 3.4100000000000001 110.161 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.87 142.31 16.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 2.8399999999999999 110.264 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.54 -78.6 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.223 -0.923 . . . . 2.54 110.126 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 166.01 24.22 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.216 -0.927 . . . . 2.98 110.081 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 7' ' ' HIS . 6.9 tpp180 -85.52 -92.65 0.09 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -0.922 . . . . 2.6600000000000001 110.374 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 5' ' ' ARG . . . 53.01 -88.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.143 -0.973 . . . . 1.53 110.207 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -119.67 -154.54 0.58 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 3.0699999999999998 110.242 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.421 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.0 OUTLIER -115.9 63.54 0.7 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.151 -0.968 . . . . 3.73 110.311 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 8' ' ' HIS . 13.3 t-20 64.3 9.55 4.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.276 -0.89 . . . . 3.0600000000000001 110.326 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.13 -169.72 1.69 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.175 -0.953 . . . . 1.6799999999999999 110.015 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -45.74 129.72 9.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 2.79 109.92 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 tp10 -66.35 -157.67 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 4.04 110.659 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 37.95 -152.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.593 -0.692 . . . . 2.77 111.018 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HE2' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -164.95 -148.98 0.12 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.352 -0.843 . . . . 3.4399999999999999 109.778 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HG2' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.6 32.21 0.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.043 -1.036 . . . . 3.4300000000000002 110.839 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -105.27 -13.77 15.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.156 -0.965 . . . . 3.4700000000000002 109.611 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 13' ' ' ARG . 1.3 p30 -124.33 0.77 8.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.513 -0.742 . . . . 3.8100000000000001 110.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.56 ' CD2' HG12 ' A' ' 19' ' ' ILE . 16.1 p-80 -46.78 -32.92 3.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.147 -0.971 . . . . 6.29 109.28 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.632 HD12 ' CZ ' ' B' ' 23' ' ' PHE . 1.2 mm -53.91 -79.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.161 -0.962 . . . . 1.72 108.699 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -27.94 -42.68 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.22 0.533 . . . . 4.71 110.609 179.06 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' ILE . 3.5 t70 -57.38 -67.16 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 118.985 -1.086 . . . . 2.7599999999999998 108.207 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' PHE . 74.0 p -54.72 -41.55 70.48 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.166 -1.049 . . . . 1.6399999999999999 108.166 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.669 ' CZ ' HD12 ' B' ' 19' ' ' ILE . 0.9 OUTLIER -44.48 -59.9 2.22 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.585 -0.894 . . . . 1.9299999999999999 108.585 178.223 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 23' ' ' PHE . 19.3 m170 -41.13 -51.66 3.39 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.811 -0.811 . . . . 2.3100000000000001 108.811 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -44.19 73.12 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.351 -0.981 . . . . 1.74 108.351 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.874 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.18 -38.16 87.38 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.543 -0.723 . . . . 1.74 109.218 178.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' PHE . 2.8 ttt180 -43.63 -40.58 4.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.865 . . . . 2.2599999999999998 109.276 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -23.88 39.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 2.29 109.504 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.581 ' HB2' ' HA ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -48.42 -56.43 8.23 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.913 -1.143 . . . . 1.4399999999999999 107.913 178.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.068 HG11 HD23 ' A' ' 33' ' ' LEU . 13.4 t -98.23 111.07 58.7 Favored Pre-proline 0 C--N 1.31 -1.115 0 N-CA-C 108.305 -0.998 . . . . 1.3 108.305 178.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -73.06 -24.44 17.21 Favored 'Trans proline' 0 C--N 1.3 -1.987 0 O-C-N 123.49 1.258 . . . . 1.6100000000000001 110.016 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.01 -13.76 43.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.267 -0.896 . . . . 2.2599999999999998 109.592 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.068 HD23 HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -50.87 -31.15 16.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.567 -0.708 . . . . 1.8999999999999999 109.719 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.15 -45.33 83.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.431 -0.793 . . . . 3.6699999999999999 110.304 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.54 -4.51 90.12 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.614 -1.394 . . . . 2.3199999999999998 109.614 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 38' ' ' ALA . 2.2 tm-20 -122.55 41.55 3.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.142 -1.21 . . . . 3.4700000000000002 110.078 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -47.47 90.32 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.063 0.935 . . . . 3.9500000000000002 110.503 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.681 ' HB3' ' HA ' ' A' ' 42' ' ' GLN . . . -99.33 65.37 1.41 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.041 -1.037 . . . . 3.7000000000000002 110.714 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.8 OUTLIER 66.48 169.84 0.24 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.133 -0.98 . . . . 4.5700000000000003 110.463 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -48.16 -40.96 25.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.304 -0.873 . . . . 6.3600000000000003 110.425 -179.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.55 ' CB ' HD12 ' A' ' 44' ' ' LEU . . . -76.31 8.15 3.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 2.4399999999999999 110.514 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.681 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 19.6 pt20 -44.75 -37.92 4.09 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.133 -0.979 . . . . 2.8399999999999999 110.666 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.874 HG21 ' HB3' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.41 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.513 -1.275 . . . . 2.9500000000000002 108.136 178.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.682 HD13 ' CE1' ' B' ' 23' ' ' PHE . 23.0 mt -70.05 -43.3 71.52 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.874 -0.787 . . . . 1.4299999999999999 108.874 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.438 -0.949 . . . . 2.29 108.438 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HB3' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -80.04 -39.01 30.72 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.642 -0.823 . . . . 2.6600000000000001 109.569 178.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.896 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -54.66 -40.8 69.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.141 -0.975 . . . . 0.72999999999999998 109.452 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 2.7 m -70.85 -40.03 72.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.351 -0.843 . . . . 1.76 110.002 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -68.29 -35.75 78.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.136 -0.978 . . . . 2.2599999999999998 109.647 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' O ' ' CB ' ' A' ' 54' ' ' MET . 2.9 m-85 -65.02 -71.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 2.2599999999999998 110.136 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.906 HD11 ' HA ' ' B' ' 47' ' ' ALA . 48.3 mt -40.29 -37.72 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.384 -0.823 . . . . 0.88 110.506 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 48' ' ' THR . 43.6 mm-40 -77.53 -74.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 2.4399999999999999 110.131 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -55.06 -54.61 40.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 1.73 109.605 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.569 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.8 ttt -45.38 -46.79 13.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.115 -0.991 . . . . 1.3999999999999999 109.607 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 1.3 tmm_? -63.13 -45.46 91.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.331 -0.856 . . . . 2.6000000000000001 109.578 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -45.69 68.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.357 -0.84 . . . . 2.46 109.715 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -56.62 -52.86 63.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.358 -0.839 . . . . 2.3599999999999999 109.903 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -47.46 -58.31 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.298 -0.876 . . . . 1.3999999999999999 109.977 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -47.09 -64.4 0.79 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.216 -0.927 . . . . 2.1200000000000001 110.044 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -57.68 -37.76 73.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.173 -0.954 . . . . 1.3500000000000001 109.94 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.0 mt -59.27 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 0.80000000000000004 109.838 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -42.72 -26.82 0.14 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.8500000000000001 110.127 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -59.54 -45.11 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 1.75 109.57 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.767 ' O ' HD12 ' A' ' 68' ' ' LEU . 13.2 p30 -76.53 -17.75 59.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 1.4299999999999999 109.839 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.757 HD11 HD11 ' B' ' 65' ' ' ILE . 2.3 mt -80.71 -42.24 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.56000000000000005 108.722 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -38.51 90.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.455 -0.778 . . . . 2.02 109.121 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -46.22 58.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.502 -0.749 . . . . 1.6000000000000001 109.274 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 64' ' ' ASP . 33.9 mt -64.46 -37.2 86.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.826 . . . . 0.68000000000000005 109.339 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 1.5 tppp? -58.5 -44.11 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.47 -0.769 . . . . 2.2000000000000002 109.804 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -67.4 -36.23 80.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.848 . . . . 3.0099999999999998 109.762 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.745 ' C ' HD12 ' A' ' 75' ' ' LEU . 90.9 mt-30 -58.24 -86.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.337 -0.852 . . . . 1.8899999999999999 109.998 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.538 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -40.58 -27.16 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.95999999999999996 110.388 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 69' ' ' LYS . . . -65.61 -54.62 25.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.109 -0.994 . . . . 0.68999999999999995 109.128 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 4.5 mp -82.57 -24.82 33.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.919 -0.771 . . . . 1.8400000000000001 108.919 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.833 ' HB3' HD22 ' B' ' 75' ' ' LEU . 0.2 OUTLIER -64.97 -52.9 53.71 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.542 -0.724 . . . . 0.54000000000000004 109.457 179.279 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' CD2' ' B' ' 75' ' ' LEU . 4.6 tt0 -68.18 -29.22 68.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.463 -0.773 . . . . 1.6499999999999999 109.772 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 1.1 tp-100 -66.33 -11.56 51.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.345 -0.847 . . . . 1.8799999999999999 109.728 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 -38.54 6.08 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.716 -1.216 . . . . 1.5600000000000001 107.716 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.707 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -61.57 -24.93 35.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 108.582 -0.895 . . . . 0.72999999999999998 108.582 178.094 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.21 -28.54 12.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.621 -0.675 . . . . 2.8500000000000001 109.56 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 77' ' ' GLN . . . -84.97 10.1 12.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.334 -0.854 . . . . 1.23 110.007 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.791 HD11 HD11 ' B' ' 82' ' ' LEU . 0.7 OUTLIER -121.37 -49.72 2.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.281 -0.887 . . . . 1.6799999999999999 109.975 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' N ' HD13 ' A' ' 82' ' ' LEU . 23.6 pt-20 -50.51 140.5 13.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.932 . . . . 1.8999999999999999 110.195 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 85' ' ' SER . . . 99.79 53.82 1.09 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.541 -1.424 . . . . 1.6399999999999999 109.541 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.2 OUTLIER 64.05 109.78 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -1.169 . . . . 2.5800000000000001 110.101 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' CYS . . . -160.75 -36.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.599 -1.401 . . . . 1.7 109.599 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' GLY . 9.8 p . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.437 -1.037 . . . . 2.1600000000000001 110.455 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.231 0.538 . . . . 2.9700000000000002 110.183 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.85 142.37 16.27 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 1.6200000000000001 110.209 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.58 -78.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 2.8900000000000001 110.123 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.53 166.01 24.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.193 -0.942 . . . . 2.4100000000000001 110.132 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' B' ' 7' ' ' HIS . 6.8 tpp180 -85.52 -92.79 0.09 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.18 -0.95 . . . . 2.3199999999999998 110.351 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' B' ' 5' ' ' ARG . . . 53.1 -88.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.133 -0.979 . . . . 1.5800000000000001 110.222 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -119.73 -154.45 0.58 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.25 -0.906 . . . . 2.0499999999999998 110.198 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' B' ' 8' ' ' HIS . 1.1 t60 -115.91 63.46 0.7 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.209 -0.932 . . . . 3.23 110.376 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' B' ' 8' ' ' HIS . 13.3 t-20 64.35 9.52 4.97 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.294 -0.878 . . . . 2.0099999999999998 110.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.09 -169.71 1.69 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.179 -0.951 . . . . 1.79 110.027 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.81 129.77 9.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.172 -0.955 . . . . 2.1899999999999999 109.909 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' B' ' 13' ' ' ARG . 3.2 tp10 -66.32 -157.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 3.1600000000000001 110.592 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER 37.98 -152.04 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.434 0.635 . . . . 4.1500000000000004 111.05 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.427 ' N ' ' HG2' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -165.1 -149.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 4.6299999999999999 109.717 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.409 ' HG2' ' HE2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -84.53 32.19 0.51 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.028 -1.045 . . . . 4.9199999999999999 110.82 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -105.26 -13.79 15.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.15 -0.969 . . . . 3.8500000000000001 109.603 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.459 ' OD2' ' HB2' ' B' ' 13' ' ' ARG . 1.3 p30 -124.28 0.66 8.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.502 -0.749 . . . . 5.5899999999999999 110.046 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.564 ' CD2' HG12 ' B' ' 19' ' ' ILE . 16.2 p-80 -46.63 -32.91 3.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.139 -0.976 . . . . 4.2199999999999998 109.331 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.669 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 1.2 mm -53.87 -79.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.198 -0.939 . . . . 1.99 108.726 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.602 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -27.96 -42.92 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-O 121.214 0.531 . . . . 2.8300000000000001 110.564 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 19' ' ' ILE . 3.5 t70 -57.05 -67.17 0.34 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.053 -1.059 . . . . 2.7200000000000002 108.233 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.428 ' O ' ' C ' ' B' ' 23' ' ' PHE . 65.8 p -54.88 -41.38 70.81 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.203 -1.036 . . . . 1.8200000000000001 108.203 177.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.682 ' CE1' HD13 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -44.67 -59.84 2.29 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.475 -0.935 . . . . 1.6200000000000001 108.475 178.242 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' B' ' 23' ' ' PHE . 19.4 m170 -41.11 -51.75 3.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.814 -0.81 . . . . 2.4100000000000001 108.814 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -44.16 72.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.418 -0.956 . . . . 1.3600000000000001 108.418 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.853 ' HB3' HG21 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -66.26 -38.25 87.4 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.486 -0.758 . . . . 1.6299999999999999 109.193 178.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' B' ' 26' ' ' LEU . 2.8 ttt180 -43.46 -40.62 3.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.819 . . . . 2.4500000000000002 109.281 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -80.92 -23.88 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.759 . . . . 1.76 109.637 179.107 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.559 ' HB2' ' HA ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -48.33 -56.18 8.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.931 -1.137 . . . . 1.24 107.931 178.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 1.089 HG11 HD23 ' B' ' 33' ' ' LEU . 12.5 t -98.18 110.27 55.43 Favored Pre-proline 0 C--N 1.303 -1.437 0 N-CA-C 108.358 -0.978 . . . . 0.84999999999999998 108.358 178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -73.02 -24.56 17.16 Favored 'Trans proline' 0 C--N 1.3 -1.99 0 O-C-N 123.408 1.215 . . . . 1.77 110.043 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.04 -13.41 44.46 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.28 -0.887 . . . . 2.04 109.555 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 1.089 HD23 HG11 ' B' ' 30' ' ' VAL . 0.1 OUTLIER -51.18 -31.1 18.9 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.575 -0.703 . . . . 1.4299999999999999 109.616 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -45.49 83.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.453 -0.779 . . . . 3.3399999999999999 110.24 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.35 -4.53 89.96 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.666 -1.374 . . . . 2.0600000000000001 109.666 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' B' ' 38' ' ' ALA . 2.1 tm-20 -122.51 41.42 3.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.162 -1.199 . . . . 2.8700000000000001 110.091 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.6 ' N ' ' CD ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -47.44 90.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.985 0.898 . . . . 3.77 110.571 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' B' ' 42' ' ' GLN . . . -99.46 65.6 1.4 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.07 -1.019 . . . . 2.2000000000000002 110.692 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.491 ' O ' ' HG2' ' B' ' 42' ' ' GLN . 0.7 OUTLIER 66.5 169.91 0.24 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.131 -0.981 . . . . 2.6400000000000001 110.467 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.548 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -48.25 -40.84 25.95 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.336 -0.852 . . . . 4.2199999999999998 110.479 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.536 ' CB ' HD12 ' B' ' 44' ' ' LEU . . . -76.43 8.31 3.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 2.0 110.514 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.69 ' HA ' ' HB3' ' B' ' 38' ' ' ALA . 19.5 pt20 -44.8 -37.89 4.13 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.096 -1.002 . . . . 2.48 110.705 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.853 HG21 ' HB3' ' B' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.42 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 2.3999999999999999 108.162 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.668 HD13 ' CE1' ' A' ' 23' ' ' PHE . 23.3 mt -70.16 -43.15 71.46 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 1.55 108.863 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -53.18 -47.28 68.97 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.353 -0.98 . . . . 2.4900000000000002 108.353 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -80.02 -39.05 30.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.668 -0.813 . . . . 2.1400000000000001 109.623 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.906 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -55.05 -40.49 70.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.70999999999999996 109.557 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 2.8 m -70.73 -40.06 72.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 2.02 109.812 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 46' ' ' LYS . 0.2 OUTLIER -68.39 -35.63 77.97 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.184 -0.947 . . . . 2.27 109.667 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' MET . 3.0 m-85 -65.05 -71.54 0.18 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.311 -0.868 . . . . 2.3599999999999999 110.137 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.896 HD11 ' HA ' ' A' ' 47' ' ' ALA . 49.8 mt -40.27 -37.82 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.361 -0.837 . . . . 1.3300000000000001 110.421 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 48' ' ' THR . 43.6 mm-40 -77.48 -74.97 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.213 -0.929 . . . . 2.4900000000000002 110.106 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.571 ' CD2' ' N ' ' B' ' 54' ' ' MET . 0.0 OUTLIER -55.01 -54.65 40.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 1.48 109.601 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.571 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.8 ttt -45.34 -46.75 13.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.116 -0.99 . . . . 0.95999999999999996 109.596 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 1.2 tmm_? -63.18 -45.31 92.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 2.5299999999999998 109.545 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -45.77 69.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.342 -0.849 . . . . 3.1000000000000001 109.691 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -56.59 -52.87 63.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -0.822 . . . . 1.52 109.9 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 66.9 t -47.46 -58.21 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.256 -0.903 . . . . 0.85999999999999999 110.015 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' B' ' 63' ' ' GLN . 0.8 OUTLIER -47.25 -64.26 0.83 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.151 -0.968 . . . . 1.96 110.026 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -57.74 -37.83 74.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.83999999999999997 109.869 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.491 ' O ' HG13 ' B' ' 65' ' ' ILE . 8.0 mt -59.13 -78.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.343 -0.848 . . . . 1.0600000000000001 109.849 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.555 ' HA ' ' CG1' ' B' ' 65' ' ' ILE . 0.7 OUTLIER -42.45 -26.99 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.52 110.062 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' B' ' 61' ' ' LEU . 0.0 OUTLIER -59.49 -45.07 92.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.5 109.643 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.752 ' O ' HD12 ' B' ' 68' ' ' LEU . 12.9 p30 -76.53 -17.78 59.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 1.3899999999999999 109.828 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 65' ' ' ILE . 1.9 mt -80.71 -42.25 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.232 -0.917 . . . . 0.64000000000000001 108.746 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.65 91.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.472 -0.768 . . . . 1.77 109.012 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -46.24 58.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.525 -0.734 . . . . 1.8799999999999999 109.327 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.752 HD12 ' O ' ' B' ' 64' ' ' ASP . 35.1 mt -64.54 -37.11 86.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.331 -0.856 . . . . 1.0700000000000001 109.338 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 73' ' ' ALA . 1.5 tppp? -58.49 -44.23 89.3 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.383 -0.823 . . . . 2.25 109.753 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -67.4 -36.25 80.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.309 -0.87 . . . . 2.75 109.836 179.679 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.74 ' C ' HD12 ' B' ' 75' ' ' LEU . 91.2 mt-30 -58.23 -86.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 2.0 109.924 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.513 ' HA ' ' HB2' ' B' ' 75' ' ' LEU . 7.5 p-10 -39.93 -27.83 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.485 -0.76 . . . . 0.69999999999999996 110.426 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' B' ' 69' ' ' LYS . . . -65.5 -54.67 24.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.108 -0.995 . . . . 0.64000000000000001 109.207 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' B' ' 74' ' ' LEU . 4.4 mp -82.57 -24.8 33.8 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.935 -0.765 . . . . 1.3 108.935 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.833 HD22 ' HB3' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -64.88 -52.96 53.71 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.473 0.654 . . . . 0.52000000000000002 109.493 179.231 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.481 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 4.6 tt0 -68.11 -29.18 68.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.443 -0.786 . . . . 1.3500000000000001 109.751 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 1.1 tp-100 -66.37 -11.52 51.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.324 -0.86 . . . . 2.1000000000000001 109.727 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.72 -38.51 6.09 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.762 -1.199 . . . . 1.98 107.762 178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -61.63 -25.04 35.73 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 108.558 -0.905 . . . . 0.77000000000000002 108.558 178.082 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.08 -28.55 12.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.653 -0.654 . . . . 2.75 109.574 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' B' ' 77' ' ' GLN . . . -85.0 10.2 12.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.86 . . . . 1.1499999999999999 109.991 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -121.5 -49.49 2.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.264 -0.898 . . . . 1.0800000000000001 110.005 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.45 ' N ' HD13 ' B' ' 82' ' ' LEU . 23.6 pt-20 -50.75 140.47 14.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.204 -0.935 . . . . 2.2599999999999998 110.19 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.9 53.82 1.09 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.508 -1.437 . . . . 1.76 109.508 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.05 109.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.31 -1.112 . . . . 3.1099999999999999 110.135 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' B' ' 87' ' ' CYS . . . -160.58 -37.01 0.02 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.6 -1.4 . . . . 2.1600000000000001 109.6 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' B' ' 86' ' ' GLY . 8.8 p . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.448 -1.031 . . . . 3.46 110.518 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.235 0.541 . . . . 3.4100000000000001 110.223 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 3' ' ' ASP . . . -129.11 -164.87 1.44 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.937 . . . . 2.8399999999999999 110.296 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 17.6 t70 65.89 12.81 8.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.348 -0.845 . . . . 2.54 110.215 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 42.78 78.87 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.336 -0.852 . . . . 2.98 110.212 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' ALA . 2.3 ttt85 -63.99 83.75 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.301 -0.874 . . . . 2.6600000000000001 110.234 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 7' ' ' HIS . . . 41.29 -142.07 0.08 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.324 -0.86 . . . . 1.53 110.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 16.1 m-70 56.64 168.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 3.0699999999999998 110.377 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.12 138.83 24.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.32 -0.863 . . . . 3.73 110.102 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -152.27 149.54 28.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.255 -0.903 . . . . 3.0600000000000001 110.168 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.56 81.29 1.53 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.271 -0.893 . . . . 1.6799999999999999 110.186 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.66 21.28 6.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 2.79 110.26 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -147.56 76.65 1.41 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.25 -0.906 . . . . 4.04 110.248 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 11.4 ttt180 -46.09 -69.14 0.14 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.304 -0.872 . . . . 2.77 110.193 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER 64.84 -151.18 0.27 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.199 -0.938 . . . . 3.4399999999999999 110.579 179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -123.01 -7.67 8.35 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.303 -0.873 . . . . 3.4300000000000002 109.84 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -49.39 -34.71 16.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.35 -0.843 . . . . 3.4700000000000002 111.021 -179.458 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 10.3 t70 -96.72 -6.14 37.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.058 -1.026 . . . . 3.8100000000000001 110.897 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.545 ' HB3' ' HG3' ' B' ' 40' ' ' ARG . 0.5 OUTLIER -63.38 -83.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.968 -1.082 . . . . 6.29 111.408 -179.215 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.998 HG22 HD22 ' B' ' 44' ' ' LEU . 4.4 pt -60.96 -50.63 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.49 -1.381 . . . . 1.72 110.7 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 19' ' ' ILE . 1.8 mttm -36.05 -64.72 0.3 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.366 -0.834 . . . . 4.71 109.96 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.512 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 1.4 t0 -46.41 -45.29 17.84 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 2.7599999999999998 107.886 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -63.14 -49.44 74.33 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.763 -0.828 . . . . 1.6399999999999999 108.763 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 1.077 ' CE1' HD21 ' B' ' 44' ' ' LEU . 9.7 m-30 -48.58 -63.23 1.15 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.352 -0.843 . . . . 1.9299999999999999 109.002 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -42.64 -52.36 4.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.441 -0.787 . . . . 2.3100000000000001 109.6 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -29.68 68.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.372 -0.83 . . . . 1.74 109.178 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.731 HD23 HG21 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -71.52 -45.6 61.95 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.664 -0.648 . . . . 1.74 109.63 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.544 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.08 -27.03 63.28 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.139 -1.059 . . . . 2.2599999999999998 108.139 178.742 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 34.5 t0 -71.86 -25.6 62.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.765 -0.584 . . . . 2.29 109.658 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -71.0 -36.0 72.29 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.147 -0.97 . . . . 1.4399999999999999 108.612 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.189 ' CG1' HD13 ' A' ' 33' ' ' LEU 0.285 8.2 t -109.17 90.26 7.86 Favored Pre-proline 0 C--N 1.312 -1.058 0 N-CA-C 108.398 -0.964 . . . . 1.3 108.398 179.435 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' O ' ' HB3' ' A' ' 32' ' ' SER . 43.4 Cg_endo -69.52 169.56 18.34 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 O-C-N 123.921 1.484 . . . . 1.6100000000000001 110.812 -178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.478 ' O ' ' OE1' ' A' ' 36' ' ' GLU . 0.1 OUTLIER 64.98 6.81 3.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.531 -0.731 . . . . 2.2599999999999998 110.57 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.189 HD13 ' CG1' ' A' ' 30' ' ' VAL . 1.4 tp -87.63 -74.15 0.45 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.111 -0.993 . . . . 1.8999999999999999 109.665 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER 49.27 -89.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.541 -0.724 . . . . 3.6699999999999999 110.45 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 33' ' ' LEU . . . -123.19 45.22 1.21 Allowed Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.915 -1.274 . . . . 2.3199999999999998 109.915 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' OE1' ' O ' ' A' ' 32' ' ' SER . 3.0 tt0 -68.68 -139.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -1.192 . . . . 3.4700000000000002 109.943 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -25.51 34.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.158 -0.963 . . . . 3.9500000000000002 110.09 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.701 ' HB1' ' HA ' ' A' ' 42' ' ' GLN . . . -65.75 159.7 24.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.139 -0.975 . . . . 3.7000000000000002 110.145 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.31 175.74 9.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.163 -0.961 . . . . 4.5700000000000003 110.646 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 58.21 -110.68 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 6.3600000000000003 108.872 -179.347 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.763 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . . . -75.14 -26.86 59.48 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 120.277 -1.514 . . . . 2.4399999999999999 107.522 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.701 ' HA ' ' HB1' ' A' ' 38' ' ' ALA . 15.1 mt-30 65.7 -43.48 0.37 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.132 -0.485 . . . . 2.8399999999999999 112.085 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.78 HG22 ' HB2' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -72.73 -49.15 42.44 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.539 0 O-C-N 120.173 -1.579 . . . . 2.9500000000000002 109.765 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.059 HD21 ' CE1' ' B' ' 23' ' ' PHE . 10.7 mp -35.82 -43.43 0.3 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.035 -1.041 . . . . 1.4299999999999999 109.698 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 49' ' ' GLU . 2.1 t0 -62.24 -51.31 68.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.611 -0.885 . . . . 2.29 108.611 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.542 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 36.0 mmtt -81.16 -52.01 7.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.266 -0.896 . . . . 2.6600000000000001 110.127 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.941 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -31.01 -56.57 0.23 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.194 0.521 . . . . 0.72999999999999998 110.901 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.544 ' OG1' ' HA ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -79.98 -52.78 7.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.932 -1.105 . . . . 1.76 110.879 -179.481 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.543 ' N ' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -45.3 -29.79 1.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.86 -1.136 . . . . 2.2599999999999998 108.833 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' MET . 3.3 m-85 -72.79 -47.91 42.61 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.042 -0.725 . . . . 2.2599999999999998 109.042 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 ' HA ' ' B' ' 47' ' ' ALA . 69.1 mt -56.2 -68.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.447 -0.783 . . . . 0.88 109.972 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ILE . 53.4 mt-30 -42.03 -59.45 1.74 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.447 -0.783 . . . . 2.4399999999999999 110.095 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CD2' ' N ' ' A' ' 54' ' ' MET . 28.5 t80 -56.57 -71.05 0.1 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.889 . . . . 1.73 110.136 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.493 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.6 mtt -46.93 -57.63 4.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 1.3999999999999999 110.308 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 4.2 tmt_? -43.07 -62.43 1.04 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 2.6000000000000001 110.033 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -51.85 -32.58 32.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 2.46 109.781 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.33 -0.856 . . . . 2.3599999999999999 110.009 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' B' ' 58' ' ' VAL . 65.2 t -44.51 -46.14 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.27 -0.894 . . . . 1.3999999999999999 110.061 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -55.42 33.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.258 -0.901 . . . . 2.1200000000000001 110.056 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 6.9 p -63.15 -42.44 99.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.319 -0.863 . . . . 1.3500000000000001 110.178 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 65' ' ' ILE . 43.7 mt -61.17 -61.08 2.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 0.80000000000000004 110.18 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.498 ' HA ' HG13 ' A' ' 65' ' ' ILE . 1.1 mt-30 -42.36 -63.12 0.81 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.836 . . . . 1.8500000000000001 110.391 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' GLN . 72.0 mm-40 -43.4 -36.16 1.84 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.163 -0.961 . . . . 1.75 110.17 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' THR . 12.9 m-20 -73.56 -22.36 60.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 1.4299999999999999 110.175 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -86.4 -36.58 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.56000000000000005 109.482 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.89 -48.93 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 2.02 109.838 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' OE1' ' A' ' 71' ' ' GLN . 22.9 m-20 -65.06 -48.07 75.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 1.6000000000000001 109.741 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 68' ' ' LEU . 17.6 mt -62.1 -39.89 94.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.329 -0.857 . . . . 0.68000000000000005 109.97 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -61.02 -47.92 84.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 2.2000000000000002 110.114 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.593 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -62.65 -35.08 78.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.275 -0.891 . . . . 3.0099999999999998 110.027 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.819 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.07 -80.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.341 -0.849 . . . . 1.8899999999999999 110.221 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.599 ' HB2' ' HB3' ' B' ' 71' ' ' GLN . 0.1 OUTLIER -39.22 -27.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.95999999999999996 110.222 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -62.89 -66.59 0.52 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 0.68999999999999995 108.925 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD23 ' HD3' ' A' ' 70' ' ' ARG . 1.8 pp -72.39 -23.63 61.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.83 . . . . 1.8400000000000001 109.083 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.897 ' HB3' HD22 ' B' ' 75' ' ' LEU . 0.3 OUTLIER -65.43 -46.91 78.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.413 -0.804 . . . . 0.54000000000000004 109.544 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 72' ' ' ASN . 5.0 tt0 -70.43 -33.91 71.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.391 -0.818 . . . . 1.6499999999999999 109.892 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.632 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.7 tp-100 -63.84 -11.38 26.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.914 . . . . 1.8799999999999999 109.703 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.502 ' HB3' HG22 ' B' ' 79' ' ' VAL . 2.7 tp-100 -109.94 -41.09 4.57 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.064 -1.087 . . . . 1.5600000000000001 108.064 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.886 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -60.09 -16.2 11.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.81 -0.811 . . . . 0.72999999999999998 108.81 178.216 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -112.92 -45.56 3.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.523 -0.736 . . . . 2.8500000000000001 109.841 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 77' ' ' GLN . . . -47.3 -24.95 0.85 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 1.23 110.011 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.57 HD21 ' SG ' ' A' ' 87' ' ' CYS . 1.6 tt -116.04 -45.35 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 1.6799999999999999 110.09 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -76.14 53.54 0.81 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.21 -0.931 . . . . 1.8999999999999999 110.168 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -137.1 -49.56 0.07 OUTLIER Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.376 -1.49 . . . . 1.6399999999999999 109.376 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.7 m -97.38 -14.86 20.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -1.109 . . . . 2.5800000000000001 110.1 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.49 52.83 2.58 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.658 -1.377 . . . . 1.7 109.658 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.57 ' SG ' HD21 ' A' ' 82' ' ' LEU . 70.8 m . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.182 -1.187 . . . . 2.1600000000000001 110.269 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.199 0.523 . . . . 2.9700000000000002 110.189 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' B' ' 3' ' ' ASP . . . -129.08 -164.87 1.44 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.264 -0.898 . . . . 1.6200000000000001 110.328 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.473 ' HB3' ' O ' ' B' ' 2' ' ' ALA . 17.4 t70 65.9 12.77 8.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 2.8900000000000001 110.219 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 3' ' ' ASP . 0.0 OUTLIER 42.8 78.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.307 -0.87 . . . . 2.4100000000000001 110.148 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' B' ' 6' ' ' ALA . 2.2 ttt85 -63.92 83.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -0.875 . . . . 2.3199999999999998 110.247 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' B' ' 7' ' ' HIS . . . 41.32 -142.04 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.364 -0.835 . . . . 1.5800000000000001 110.236 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' B' ' 6' ' ' ALA . 16.1 m-70 56.57 168.93 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.281 -0.887 . . . . 2.0499999999999998 110.385 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.08 138.87 24.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.331 -0.856 . . . . 3.23 110.14 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -152.28 149.47 28.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 2.0099999999999998 110.145 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.53 81.27 1.52 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 1.79 110.19 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.63 21.31 6.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.24 -0.912 . . . . 2.1899999999999999 110.269 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -147.64 76.71 1.4 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.892 . . . . 3.1600000000000001 110.235 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' B' ' 14' ' ' LYS . 11.5 ttt180 -46.05 -69.19 0.14 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.313 -0.867 . . . . 4.1500000000000004 110.232 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' B' ' 13' ' ' ARG . 0.1 OUTLIER 64.81 -151.17 0.27 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.226 -0.921 . . . . 4.6299999999999999 110.529 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -123.0 -7.63 8.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.273 -0.892 . . . . 4.9199999999999999 109.881 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -49.46 -34.61 17.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.345 -0.847 . . . . 3.8500000000000001 111.043 -179.44 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 10.2 t70 -96.69 -6.25 36.91 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.029 -1.044 . . . . 5.5899999999999999 110.862 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.479 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -63.34 -83.1 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.991 -1.068 . . . . 4.2199999999999998 111.371 -179.161 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 1.033 HG22 HD22 ' A' ' 44' ' ' LEU . 4.8 pt -60.8 -50.84 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.558 -1.339 . . . . 1.99 110.741 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' B' ' 19' ' ' ILE . 1.8 mttm -36.0 -64.78 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.418 -0.801 . . . . 2.8300000000000001 110.023 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' B' ' 17' ' ' ASP . 1.4 t0 -46.38 -45.25 17.7 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.941 -1.133 . . . . 2.7200000000000002 107.941 178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.539 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.5 OUTLIER -63.18 -49.36 74.57 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.746 -0.835 . . . . 1.8200000000000001 108.746 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 1.059 ' CE1' HD21 ' A' ' 44' ' ' LEU . 9.7 m-30 -48.68 -63.17 1.17 Allowed 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.281 -0.887 . . . . 1.6200000000000001 109.047 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' B' ' 23' ' ' PHE . 0.6 OUTLIER -42.63 -52.37 4.87 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.777 -0.769 . . . . 2.4100000000000001 109.636 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -29.61 68.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 1.3600000000000001 109.14 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.722 HD23 HG21 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -71.48 -45.76 61.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.657 -0.652 . . . . 1.6299999999999999 109.65 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.543 ' N ' HG12 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -57.96 -26.92 62.92 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.127 -1.064 . . . . 2.4500000000000002 108.127 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' B' ' 27' ' ' ARG . 34.2 t0 -71.97 -26.21 62.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.785 -0.572 . . . . 1.76 109.781 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -70.8 -34.98 72.3 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.24 108.51 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 1.119 ' CG1' HD13 ' B' ' 33' ' ' LEU . 12.6 t -109.22 89.15 6.58 Favored Pre-proline 0 C--N 1.299 -1.621 0 N-CA-C 109.073 -0.714 . . . . 0.84999999999999998 109.073 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' B' ' 32' ' ' SER . 44.0 Cg_endo -69.68 169.37 18.96 Favored 'Trans proline' 0 C--N 1.303 -1.823 0 O-C-N 123.953 1.502 . . . . 1.77 110.96 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.49 ' O ' ' OE1' ' B' ' 36' ' ' GLU . 0.1 OUTLIER 64.97 6.76 3.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.553 -0.717 . . . . 2.04 110.564 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 1.119 HD13 ' CG1' ' B' ' 30' ' ' VAL . 1.8 tp -87.78 -73.92 0.47 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.143 -0.973 . . . . 1.4299999999999999 109.732 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.451 ' O ' ' NE2' ' B' ' 42' ' ' GLN . 0.4 OUTLIER 49.17 -88.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.486 -0.759 . . . . 3.3399999999999999 110.453 179.672 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' B' ' 33' ' ' LEU . . . -123.21 45.19 1.22 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.905 -1.278 . . . . 2.0600000000000001 109.905 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.49 ' OE1' ' O ' ' B' ' 32' ' ' SER . 3.0 tt0 -68.68 -139.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.175 -1.191 . . . . 2.8700000000000001 109.933 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -25.38 34.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.109 -0.994 . . . . 3.77 110.157 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.706 ' HB1' ' HA ' ' B' ' 42' ' ' GLN . . . -65.88 159.74 24.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.083 -1.011 . . . . 2.2000000000000002 110.068 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.35 175.75 9.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.127 -0.983 . . . . 2.6400000000000001 110.628 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.545 ' HG3' ' HB3' ' A' ' 18' ' ' HIS . 0.0 OUTLIER 58.14 -110.71 0.53 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.309 -0.87 . . . . 4.2199999999999998 108.938 -179.335 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.757 ' HB2' ' CZ ' ' B' ' 23' ' ' PHE . . . -75.03 -26.94 59.86 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 120.255 -1.528 . . . . 2.0 107.446 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.706 ' HA ' ' HB1' ' B' ' 38' ' ' ALA . 15.2 mt-30 65.79 -43.42 0.37 Allowed 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 116.161 -0.472 . . . . 2.48 112.012 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.802 HG22 ' HB2' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -72.77 -49.38 40.68 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 120.202 -1.561 . . . . 2.3999999999999999 109.79 -179.283 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 1.077 HD21 ' CE1' ' A' ' 23' ' ' PHE . 10.1 mp -35.52 -43.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.116 -0.99 . . . . 1.55 109.725 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 2.0 t0 -62.19 -51.38 68.06 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.704 -0.85 . . . . 2.4900000000000002 108.704 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.543 ' HA ' ' CG ' ' B' ' 49' ' ' GLU . 36.0 mmtt -81.09 -52.15 7.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.307 -0.871 . . . . 2.1400000000000001 110.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 1.021 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -31.81 -55.67 0.29 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.81 -0.556 . . . . 0.70999999999999996 111.36 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.549 HG22 ' N ' ' B' ' 49' ' ' GLU . 0.6 OUTLIER -79.88 -52.99 7.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.986 -1.071 . . . . 2.02 110.496 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.549 ' N ' HG22 ' B' ' 48' ' ' THR . 0.2 OUTLIER -45.33 -29.73 1.11 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.807 -1.183 . . . . 2.27 108.82 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' B' ' 54' ' ' MET . 3.3 m-85 -72.84 -47.93 42.09 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.028 -0.73 . . . . 2.3599999999999999 109.028 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.941 HD11 ' HA ' ' A' ' 47' ' ' ALA . 69.0 mt -56.15 -68.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 1.3300000000000001 109.951 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' ILE . 53.3 mt-30 -42.06 -59.43 1.75 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.414 -0.804 . . . . 2.4900000000000002 110.095 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' N ' ' B' ' 54' ' ' MET . 28.4 t80 -56.63 -71.02 0.1 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.344 -0.848 . . . . 1.48 110.133 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.498 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.6 mtt -46.91 -57.65 4.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.191 -0.943 . . . . 0.95999999999999996 110.33 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 4.2 tmt_? -43.04 -62.41 1.04 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 2.5299999999999998 110.06 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm-85 -51.9 -32.48 32.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.927 . . . . 3.1000000000000001 109.861 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 1.52 110.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 58' ' ' VAL . 66.2 t -44.68 -46.08 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 0.85999999999999999 110.034 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.63 -55.35 34.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.861 . . . . 1.96 110.058 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 64' ' ' ASP . 6.9 p -63.16 -42.49 99.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 0.83999999999999997 110.143 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.513 ' O ' HG13 ' B' ' 65' ' ' ILE . 44.1 mt -61.16 -61.12 2.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.872 . . . . 1.0600000000000001 110.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.509 ' CA ' HG13 ' B' ' 65' ' ' ILE . 1.1 mt-30 -42.25 -63.18 0.79 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 1.52 110.383 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' B' ' 62' ' ' GLN . 72.6 mm-40 -43.41 -36.13 1.83 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.167 -0.958 . . . . 1.5 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' B' ' 60' ' ' THR . 12.8 m-20 -73.57 -22.43 60.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.276 -0.89 . . . . 1.3899999999999999 110.15 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 61' ' ' LEU . 0.8 OUTLIER -86.37 -36.47 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.301 -0.875 . . . . 0.64000000000000001 109.517 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.0 -48.86 72.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 1.77 109.803 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.432 ' O ' ' OE1' ' B' ' 71' ' ' GLN . 23.0 m-20 -65.1 -48.09 74.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 1.8799999999999999 109.781 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' B' ' 68' ' ' LEU . 17.6 mt -62.01 -39.91 93.89 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 1.0700000000000001 109.984 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -61.08 -48.0 83.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.25 110.036 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ARG . . . . . 0.588 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -62.65 -35.08 78.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.231 -0.918 . . . . 2.75 110.053 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.803 ' C ' HD12 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -61.18 -79.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.313 -0.867 . . . . 2.0 110.242 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.53 ' HA ' ' HB2' ' B' ' 75' ' ' LEU . 1.3 p-10 -39.46 -27.58 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.273 -0.892 . . . . 0.69999999999999996 110.251 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -62.88 -66.66 0.51 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 0.64000000000000001 108.955 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.544 HD23 ' HD3' ' B' ' 70' ' ' ARG . 1.8 pp -72.28 -23.66 61.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.3 109.092 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.897 HD22 ' HB3' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -65.42 -46.99 77.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.434 -0.791 . . . . 0.52000000000000002 109.524 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 72' ' ' ASN . 4.9 tt0 -70.36 -33.98 72.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.373 -0.83 . . . . 1.3500000000000001 109.838 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.639 ' O ' ' HB2' ' B' ' 81' ' ' ALA . 1.7 tp-100 -63.74 -11.45 26.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.1000000000000001 109.708 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.485 ' HB3' HG22 ' A' ' 79' ' ' VAL . 2.7 tp-100 -109.96 -40.96 4.6 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.068 -1.086 . . . . 1.98 108.068 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.886 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -60.1 -16.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.778 -0.823 . . . . 0.77000000000000002 108.778 178.22 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -112.98 -45.52 3.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.525 -0.735 . . . . 2.75 109.802 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' B' ' 77' ' ' GLN . . . -47.33 -24.89 0.85 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 1.1499999999999999 110.047 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.577 HD21 ' SG ' ' B' ' 87' ' ' CYS . 1.6 tt -116.08 -45.31 2.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.308 -0.87 . . . . 1.0800000000000001 110.127 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' B' ' 79' ' ' VAL . 0.3 OUTLIER -76.21 53.61 0.82 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.241 -0.912 . . . . 2.2599999999999998 110.105 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -137.16 -49.57 0.07 OUTLIER Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.335 -1.506 . . . . 1.76 109.335 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.4 m -97.42 -14.84 20.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -1.127 . . . . 3.1099999999999999 110.063 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.45 52.9 2.57 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.613 -1.395 . . . . 2.1600000000000001 109.613 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' CYS . . . . . 0.577 ' SG ' HD21 ' B' ' 82' ' ' LEU . 76.4 m . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.224 -1.162 . . . . 3.46 110.258 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.256 0.551 . . . . 3.4100000000000001 110.202 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' ASP . . . -163.78 -171.2 2.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.249 -0.907 . . . . 2.8399999999999999 110.255 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 3' ' ' ASP . 30.0 p-10 -43.19 133.23 4.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 2.54 110.16 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -91.59 169.74 10.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.206 -0.934 . . . . 2.98 110.434 -179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 22.1 ttp85 -177.02 -72.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 2.6600000000000001 110.16 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' ARG . . . 42.93 -147.27 0.05 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 1.53 110.326 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -115.16 63.26 0.68 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 3.0699999999999998 110.355 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.17 92.44 1.0 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 3.73 110.019 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -128.79 -48.73 1.25 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.208 -0.933 . . . . 3.0600000000000001 110.353 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . 175.52 56.09 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.3 -0.875 . . . . 1.6799999999999999 110.231 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' GLU . 2.6 mp -60.43 -85.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 2.79 110.218 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.6 pt-20 175.7 -41.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.241 -0.912 . . . . 4.04 110.058 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' GLU . 7.5 ttm180 43.78 -95.6 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.327 -0.858 . . . . 2.77 109.851 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 12' ' ' GLU . 16.3 mmtt -98.87 -90.69 0.29 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.024 -1.048 . . . . 3.4399999999999999 110.121 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -153.48 54.95 0.74 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.268 -0.895 . . . . 3.4300000000000002 109.851 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.74 -55.66 3.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 3.4700000000000002 110.647 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -94.44 6.29 49.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 3.8100000000000001 110.372 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -56.3 -64.62 0.8 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 6.29 110.022 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.662 HD12 ' CZ ' ' B' ' 23' ' ' PHE . 1.9 mm -47.71 -77.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 1.72 109.868 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 2.2 mtmm -28.93 -40.69 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.243 0.545 . . . . 4.71 111.082 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -57.49 -62.96 1.41 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.82 -1.175 . . . . 2.7599999999999998 108.205 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.479 ' O ' ' HB2' ' A' ' 25' ' ' SER . 0.6 OUTLIER -55.64 -44.44 77.14 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.078 -1.082 . . . . 1.6399999999999999 108.078 178.169 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CZ ' HD12 ' B' ' 19' ' ' ILE . 2.8 m-30 -45.05 -60.99 1.81 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.56 -0.904 . . . . 1.9299999999999999 108.56 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 54.6 t-80 -40.61 -37.13 0.68 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.429 0.633 . . . . 2.3100000000000001 109.639 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -62.87 -41.21 99.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 1.74 110.282 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.646 ' CD1' ' HB3' ' B' ' 44' ' ' LEU . 1.9 mp -75.44 -41.25 56.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.037 -1.04 . . . . 1.74 109.76 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -45.99 15.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.538 -0.726 . . . . 2.2599999999999998 109.848 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -95.93 15.19 21.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 2.29 109.43 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.548 ' CB ' ' HA ' ' A' ' 26' ' ' LEU . 22.8 t -90.91 -52.94 4.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.565 -0.709 . . . . 1.4399999999999999 109.677 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.777 ' CG2' HG21 ' B' ' 51' ' ' ILE . 88.6 t -109.44 87.64 5.38 Favored Pre-proline 0 C--N 1.312 -1.061 0 O-C-N 120.925 -1.11 . . . . 1.3 109.946 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -64.14 -12.67 33.59 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.824 1.434 . . . . 1.6100000000000001 109.101 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' GLN . 28.4 t -94.82 25.2 4.21 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.512 -0.922 . . . . 2.2599999999999998 108.512 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.722 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -46.19 -24.49 0.46 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.497 -0.752 . . . . 1.8999999999999999 109.076 179.668 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.569 ' CB ' ' O ' ' A' ' 33' ' ' LEU . 1.4 tt0 79.32 70.81 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.337 -1.357 . . . . 3.6699999999999999 107.337 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' O ' ' CG ' ' A' ' 36' ' ' GLU . . . 109.34 -22.86 23.99 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 106.964 -2.454 . . . . 2.3199999999999998 106.964 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 10.3 pt-20 35.15 34.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.982 -0.717 . . . . 3.4700000000000002 111.334 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.95 19.69 4.71 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.392 -0.818 . . . . 3.9500000000000002 108.943 178.681 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.608 ' HB1' HG12 ' A' ' 43' ' ' ILE . . . -52.95 116.39 2.33 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.471 -0.768 . . . . 3.7000000000000002 111.62 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -73.88 -84.43 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 4.5700000000000003 109.248 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.581 ' CB ' HD11 ' B' ' 19' ' ' ILE . 16.5 mmm-85 -128.63 -56.91 1.21 Allowed 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.679 -0.86 . . . . 6.3600000000000003 108.679 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.653 ' CA ' HD13 ' B' ' 19' ' ' ILE . . . -78.96 -32.84 45.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.684 -0.635 . . . . 2.4399999999999999 109.927 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -57.71 -22.79 48.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.369 -0.832 . . . . 2.8399999999999999 109.946 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.608 HG12 ' HB1' ' A' ' 38' ' ' ALA . 4.9 mt -63.83 -28.28 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.576 -1.268 . . . . 2.9500000000000002 107.576 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.898 HD21 HD21 ' B' ' 44' ' ' LEU . 1.3 mp -86.93 -45.08 11.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.535 -0.757 . . . . 1.4299999999999999 110.191 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -43.18 -47.38 6.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 2.29 108.998 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.666 ' HG3' HD12 ' A' ' 33' ' ' LEU . 8.0 mmtp -78.4 -56.41 4.47 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.686 -0.857 . . . . 2.6600000000000001 108.686 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 44' ' ' LEU . . . -35.72 -45.69 0.39 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 0.72999999999999998 110.487 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.631 HG23 ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -70.78 -50.96 30.22 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 1.76 110.561 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 78.6 mt-10 -51.5 -29.79 17.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -0.833 . . . . 2.2599999999999998 110.107 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CE1' HG11 ' A' ' 30' ' ' VAL . 6.0 m-85 -75.22 -44.32 46.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.851 . . . . 2.2599999999999998 110.582 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.842 HG21 ' CG2' ' B' ' 30' ' ' VAL . 78.2 mt -62.44 -75.29 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 0.88 110.543 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ILE . 16.1 pt20 -43.9 -34.48 1.66 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 2.4399999999999999 110.241 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 8.0 t80 -70.69 -46.01 63.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 1.73 110.054 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.718 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -67.74 -53.18 29.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 1.3999999999999999 110.249 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.39 -43.91 16.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.095 -1.003 . . . . 2.6000000000000001 109.959 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -55.4 10.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.231 -0.918 . . . . 2.46 110.139 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.713 ' HG2' HD12 ' A' ' 61' ' ' LEU . 7.5 tttt -58.92 -44.97 91.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.922 . . . . 2.3599999999999999 110.04 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 54' ' ' MET . 99.4 t -54.08 -51.98 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -0.907 . . . . 1.3999999999999999 109.977 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.88 -51.48 60.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 2.1200000000000001 109.875 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 p -62.58 -49.81 73.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.297 -0.877 . . . . 1.3500000000000001 109.889 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.713 HD12 ' HG2' ' A' ' 57' ' ' LYS . 7.8 mt -55.99 -59.92 4.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.80000000000000004 109.83 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 65' ' ' ILE . 45.7 tp60 -43.97 -58.15 2.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 1.8500000000000001 109.963 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -45.64 -33.06 2.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 1.75 109.721 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -22.17 56.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.831 . . . . 1.4299999999999999 109.821 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.605 HD11 HD11 ' B' ' 65' ' ' ILE . 2.5 mt -80.83 -48.24 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 0.56000000000000005 109.35 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.38 -40.55 96.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 2.02 109.532 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.05 -52.58 64.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.32 -0.863 . . . . 1.6000000000000001 109.663 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 45.6 mt -60.71 -43.6 97.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.68000000000000005 109.65 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -50.8 14.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 2.2000000000000002 109.806 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.506 ' O ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.08 -38.78 83.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.414 -0.803 . . . . 3.0099999999999998 110.305 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.842 ' O ' HD12 ' A' ' 75' ' ' LEU . 13.9 mm100 -56.7 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.153 -0.967 . . . . 1.8899999999999999 110.626 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 71' ' ' GLN . 6.8 t30 -36.21 -31.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 0.95999999999999996 110.763 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -75.06 -37.15 61.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 0.68999999999999995 110.265 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' GLN . 6.3 mp -80.12 -38.88 30.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.8400000000000001 110.958 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 71' ' ' GLN . 4.3 mp -63.26 -41.93 99.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.845 -1.159 . . . . 0.54000000000000004 109.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' B' ' 75' ' ' LEU . 9.1 tt0 -66.8 -38.42 86.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.6499999999999999 110.111 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.618 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 69.5 tp60 -70.49 -2.56 14.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 1.8799999999999999 110.245 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.527 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 6.1 tp60 -103.0 -47.44 4.36 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.679 -1.23 . . . . 1.5600000000000001 107.679 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.832 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -49.69 -30.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 108.735 -0.839 . . . . 0.72999999999999998 108.735 177.74 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.6 mtt-85 -99.32 -14.33 19.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.471 -0.768 . . . . 2.8500000000000001 109.683 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 77' ' ' GLN . . . -68.03 -63.93 0.96 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.24 -0.913 . . . . 1.23 110.202 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.56 HD12 ' H ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -45.99 -93.5 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.239 -0.913 . . . . 1.6799999999999999 110.131 -179.736 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.56 ' H ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -79.08 -178.73 6.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.968 -1.082 . . . . 1.8999999999999999 110.214 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.55 -34.02 60.48 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.558 -1.417 . . . . 1.6399999999999999 109.558 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' GLY . 3.0 m -155.28 88.61 1.16 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.244 -1.151 . . . . 2.5800000000000001 110.401 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' SER . . . 41.23 90.7 0.01 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.825 -1.31 . . . . 1.7 109.825 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.528 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 31.7 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.214 -1.168 . . . . 2.1600000000000001 110.291 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttm . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.216 0.532 . . . . 2.9700000000000002 110.224 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 3' ' ' ASP . . . -163.65 -171.21 2.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 1.6200000000000001 110.264 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 3' ' ' ASP . 30.1 p-10 -43.07 133.22 3.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.254 -0.904 . . . . 2.8900000000000001 110.144 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -91.58 169.79 10.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.294 -0.879 . . . . 2.4100000000000001 110.421 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 22.0 ttp85 -177.07 -72.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.311 -0.868 . . . . 2.3199999999999998 110.172 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 42.82 -147.15 0.05 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.247 -0.908 . . . . 1.5800000000000001 110.295 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -115.22 63.19 0.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -0.913 . . . . 2.0499999999999998 110.308 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.11 92.48 0.98 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.27 -0.894 . . . . 3.23 110.109 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.615 ' O ' ' HB2' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -128.98 -48.5 1.22 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 2.0099999999999998 110.315 -179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' B' ' 9' ' ' ASN . . . 175.4 55.81 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.898 . . . . 1.79 110.276 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' B' ' 12' ' ' GLU . 2.6 mp -60.29 -85.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.22 -0.925 . . . . 2.1899999999999999 110.213 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 14' ' ' LYS . 7.7 pt-20 175.61 -41.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.164 -0.96 . . . . 3.1600000000000001 110.119 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' B' ' 12' ' ' GLU . 7.4 ttm180 43.72 -95.48 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.35 -0.844 . . . . 4.1500000000000004 109.903 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' B' ' 12' ' ' GLU . 15.9 mmtt -98.92 -90.74 0.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.063 -1.023 . . . . 4.6299999999999999 110.146 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -153.34 54.94 0.75 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 4.9199999999999999 109.844 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.74 -55.7 3.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.881 . . . . 3.8500000000000001 110.618 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -94.33 6.1 49.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.252 -0.905 . . . . 5.5899999999999999 110.412 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.9 OUTLIER -56.2 -64.66 0.79 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.125 -0.985 . . . . 4.2199999999999998 109.998 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.726 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 1.9 mm -47.5 -77.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.906 . . . . 1.99 109.876 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.591 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 2.2 mtmm -28.59 -40.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 121.253 0.549 . . . . 2.8300000000000001 111.1 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -57.47 -63.09 1.35 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.831 -1.168 . . . . 2.7200000000000002 108.234 178.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' B' ' 25' ' ' SER . 0.6 OUTLIER -55.62 -44.25 76.9 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.155 -1.054 . . . . 1.8200000000000001 108.155 178.052 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.824 ' CD1' HD22 ' A' ' 44' ' ' LEU . 2.7 m-30 -45.19 -60.92 1.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.584 -0.895 . . . . 1.6200000000000001 108.584 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' PHE . 54.6 t-80 -40.72 -37.06 0.69 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.359 0.6 . . . . 2.4100000000000001 109.679 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' B' ' 29' ' ' SER . 0.1 OUTLIER -62.85 -41.34 99.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.448 -0.783 . . . . 1.3600000000000001 110.228 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.631 ' HG ' HG23 ' A' ' 48' ' ' THR . 1.8 mp -75.3 -41.39 57.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.081 -1.012 . . . . 1.6299999999999999 109.7 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.95 -45.86 15.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.4500000000000002 109.871 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -96.13 15.24 21.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 1.76 109.415 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.537 ' CB ' ' HA ' ' B' ' 26' ' ' LEU . 30.4 t -91.08 -52.0 5.05 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.442 -0.786 . . . . 1.24 109.81 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.842 ' CG2' HG21 ' A' ' 51' ' ' ILE . 91.6 t -109.86 86.87 5.13 Favored Pre-proline 0 C--N 1.303 -1.449 0 O-C-N 121.144 -0.972 . . . . 0.84999999999999998 110.197 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -63.97 -12.77 33.68 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 O-C-N 123.944 1.497 . . . . 1.77 109.334 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.426 ' C ' ' N ' ' B' ' 34' ' ' GLN . 28.1 t -94.76 25.16 4.2 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.513 -0.921 . . . . 2.04 108.513 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.673 HD12 ' HG3' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -46.15 -24.6 0.47 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.489 -0.757 . . . . 1.4299999999999999 109.17 179.675 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.583 ' CB ' ' O ' ' B' ' 33' ' ' LEU . 1.4 tt0 79.42 70.68 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.325 -1.361 . . . . 3.3399999999999999 107.325 -177.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' B' ' 36' ' ' GLU . . . 109.4 -22.75 24.03 Favored Glycine 0 N--CA 1.485 1.907 0 N-CA-C 107.026 -2.43 . . . . 2.0600000000000001 107.026 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.472 ' HA ' ' HB3' ' B' ' 33' ' ' LEU . 10.3 pt-20 35.07 34.78 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.957 -0.731 . . . . 2.8700000000000001 111.333 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' B' ' 35' ' ' GLY . 0.0 OUTLIER -90.07 19.6 4.86 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.352 -0.842 . . . . 3.77 108.908 178.748 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.616 ' HB1' HG12 ' B' ' 43' ' ' ILE . . . -52.73 116.39 2.29 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.471 -0.768 . . . . 2.2000000000000002 111.574 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -74.09 -84.45 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.402 -0.812 . . . . 2.6400000000000001 109.287 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.612 ' CB ' HD11 ' A' ' 19' ' ' ILE . 16.7 mmm-85 -128.62 -57.15 1.2 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.594 -0.891 . . . . 4.2199999999999998 108.594 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.56 ' CA ' HD13 ' A' ' 19' ' ' ILE . . . -78.38 -33.32 48.94 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.728 -0.607 . . . . 2.0 110.044 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.554 ' HB3' ' HA ' ' B' ' 38' ' ' ALA . 0.1 OUTLIER -57.49 -23.01 47.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.304 -0.873 . . . . 2.48 110.006 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.616 HG12 ' HB1' ' B' ' 38' ' ' ALA . 4.3 mt -63.77 -28.3 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 107.594 -1.261 . . . . 2.3999999999999999 107.594 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.898 HD21 HD21 ' A' ' 44' ' ' LEU . 1.2 mp -86.96 -44.94 11.24 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.579 -0.737 . . . . 1.55 110.192 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.446 ' HB2' ' HA ' ' B' ' 42' ' ' GLN . 0.4 OUTLIER -43.24 -47.53 6.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.397 -0.814 . . . . 2.4900000000000002 109.012 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.673 ' HG3' HD12 ' B' ' 33' ' ' LEU . 7.9 mmtp -78.3 -56.05 4.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.819 -0.808 . . . . 2.1400000000000001 108.819 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' B' ' 44' ' ' LEU . . . -36.99 -44.63 0.52 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.545 -0.722 . . . . 0.70999999999999996 110.729 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.527 HG23 ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -70.99 -50.77 30.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.172 -0.955 . . . . 2.02 110.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' B' ' 53' ' ' TYR . 77.5 mt-10 -51.53 -29.78 18.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.27 110.085 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.598 ' CE1' HG11 ' B' ' 30' ' ' VAL . 5.9 m-85 -75.16 -44.4 46.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 2.3599999999999999 110.587 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.777 HG21 ' CG2' ' A' ' 30' ' ' VAL . 77.8 mt -62.36 -75.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.096 -1.002 . . . . 1.3300000000000001 110.549 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' B' ' 51' ' ' ILE . 16.1 pt20 -43.9 -34.47 1.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 2.4900000000000002 110.224 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.512 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 7.7 t80 -70.72 -46.03 63.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 1.48 110.013 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.71 ' O ' HG23 ' B' ' 58' ' ' VAL . 0.5 OUTLIER -67.75 -53.14 29.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.313 -0.867 . . . . 0.95999999999999996 110.249 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.48 -43.82 17.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.14 -0.975 . . . . 2.5299999999999998 109.95 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -55.36 10.78 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 3.1000000000000001 110.12 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.719 ' HG2' HD12 ' B' ' 61' ' ' LEU . 7.9 tttt -58.85 -45.02 91.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -0.903 . . . . 1.52 110.028 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 54' ' ' MET . 99.2 t -54.16 -51.86 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.85999999999999999 109.968 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.96 -51.46 61.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 1.96 109.841 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 57' ' ' LYS . 3.3 p -62.56 -49.77 73.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.353 -0.842 . . . . 0.83999999999999997 109.945 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.719 HD12 ' HG2' ' B' ' 57' ' ' LYS . 7.8 mt -56.12 -59.85 4.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 1.0600000000000001 109.795 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' B' ' 65' ' ' ILE . 47.5 tp60 -43.75 -58.41 2.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 1.52 109.895 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.58 -32.95 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 1.5 109.765 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -22.02 55.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.341 -0.849 . . . . 1.3899999999999999 109.794 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.605 HD11 HD11 ' A' ' 65' ' ' ILE . 2.4 mt -81.07 -48.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.417 -0.802 . . . . 0.64000000000000001 109.337 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.37 -40.53 96.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.344 -0.848 . . . . 1.77 109.515 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.02 -52.82 63.75 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 1.8799999999999999 109.594 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' B' ' 71' ' ' GLN . 45.6 mt -60.55 -43.55 97.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.91 . . . . 1.0700000000000001 109.696 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.608 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 0.0 OUTLIER -45.98 -50.84 14.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 2.25 109.857 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ARG . . . . . 0.497 ' O ' HD13 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.16 -38.62 83.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.413 -0.804 . . . . 2.75 110.353 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.846 ' O ' HD12 ' B' ' 75' ' ' LEU . 13.9 mm100 -56.86 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.146 -0.971 . . . . 2.0 110.691 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' B' ' 69' ' ' LYS . 0.6 OUTLIER -37.67 -29.99 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.394 -0.816 . . . . 0.69999999999999996 110.793 -179.216 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -75.39 -37.17 60.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 0.64000000000000001 110.087 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 71' ' ' GLN . 6.2 mp -80.21 -38.83 30.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 1.3 110.913 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.846 HD12 ' O ' ' B' ' 71' ' ' GLN . 4.5 mp -63.39 -41.82 98.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.786 -1.196 . . . . 0.52000000000000002 109.796 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 9.4 tt0 -66.82 -38.21 86.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 1.3500000000000001 110.12 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.609 ' O ' ' HB2' ' B' ' 81' ' ' ALA . 69.4 tp60 -70.73 -2.45 14.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.284 -0.885 . . . . 2.1000000000000001 110.202 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.526 ' O ' ' CD2' ' B' ' 82' ' ' LEU . 6.1 tp60 -103.07 -47.45 4.34 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.721 -1.215 . . . . 1.98 107.721 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -49.69 -30.86 5.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.646 -0.872 . . . . 0.77000000000000002 108.646 177.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -99.35 -14.21 19.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.462 -0.773 . . . . 2.75 109.678 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' B' ' 77' ' ' GLN . . . -68.28 -63.81 0.99 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.225 -0.922 . . . . 1.1499999999999999 110.174 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.583 HD12 ' H ' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -45.89 -93.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -0.955 . . . . 1.0800000000000001 110.153 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.583 ' H ' HD12 ' B' ' 82' ' ' LEU . 0.0 OUTLIER -79.07 -178.69 6.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.968 -1.082 . . . . 2.2599999999999998 110.247 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.53 -33.96 60.6 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.575 -1.41 . . . . 1.76 109.575 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.445 ' O ' ' C ' ' B' ' 86' ' ' GLY . 3.0 m -155.33 88.64 1.16 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.185 -1.185 . . . . 3.1099999999999999 110.432 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' B' ' 85' ' ' SER . . . 41.27 90.5 0.01 OUTLIER Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.908 -1.277 . . . . 2.1600000000000001 109.908 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' CYS . . . . . 0.511 ' HB3' ' CG ' ' B' ' 83' ' ' GLU . 32.0 p . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.225 -1.162 . . . . 3.46 110.19 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.261 0.553 . . . . 3.4100000000000001 110.163 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.93 46.71 2.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.208 -0.932 . . . . 2.8399999999999999 110.256 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 30.6 t70 -164.9 75.9 0.28 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.17 -0.956 . . . . 2.54 110.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 60.9 115.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -0.925 . . . . 2.98 110.274 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -55.91 -80.51 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.266 -0.896 . . . . 2.6600000000000001 110.187 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 7' ' ' HIS . . . -171.96 178.73 2.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.255 -0.903 . . . . 1.53 110.176 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 10.1 t-160 62.79 57.67 1.7 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.86 . . . . 3.0699999999999998 110.08 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -153.79 74.05 0.98 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.293 -0.879 . . . . 3.73 110.162 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -87.08 176.26 7.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.302 -0.874 . . . . 3.0600000000000001 110.157 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.89 160.04 20.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.212 -0.93 . . . . 1.6799999999999999 110.149 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -96.18 -16.26 21.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.269 -0.894 . . . . 2.79 110.163 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.56 120.76 21.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 4.04 110.219 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.54 159.2 0.07 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.215 -0.928 . . . . 2.77 110.192 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -110.19 149.87 29.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.252 -0.905 . . . . 3.4399999999999999 110.457 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -98.07 -15.43 20.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.897 . . . . 3.4300000000000002 110.34 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -49.98 12.14 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.192 -0.942 . . . . 3.4700000000000002 110.036 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -84.93 15.16 4.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 3.8100000000000001 109.722 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -66.21 0.54 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.372 -0.83 . . . . 6.29 110.589 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.12 HG22 ' HB2' ' B' ' 41' ' ' ALA . 3.3 pt -55.16 -58.22 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 118.346 -1.342 . . . . 1.72 109.694 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -27.77 -52.88 0.08 Allowed 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.546 -0.721 . . . . 4.71 110.311 179.019 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.3 m-20 -55.18 -60.28 3.6 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.827 -1.175 . . . . 2.7599999999999998 107.827 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ILE . 1.5 t -57.06 -47.02 81.99 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.159 -1.052 . . . . 1.6399999999999999 108.159 177.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.552 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . 1.2 m-85 -43.99 -56.64 3.82 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.646 -0.872 . . . . 1.9299999999999999 108.646 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 21' ' ' ASP . 3.9 t-80 -42.61 -47.48 5.24 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.694 -0.802 . . . . 2.3100000000000001 108.901 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.734 ' HB3' HG21 ' B' ' 48' ' ' THR . 0.1 OUTLIER -63.14 -49.54 73.98 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.332 -0.947 . . . . 1.74 108.508 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.59 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -54.05 -37.79 64.53 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.399 -0.963 . . . . 1.74 108.399 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 24' ' ' HIS . 3.3 tpt180 -53.2 -32.98 50.79 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.089 -1.078 . . . . 2.2599999999999998 108.089 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 25' ' ' SER . 36.4 t70 -67.65 -26.1 66.05 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.901 -0.777 . . . . 2.29 108.901 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.662 ' HB3' HG21 ' B' ' 51' ' ' ILE . 49.4 m -66.25 -76.18 0.08 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.517 -0.92 . . . . 1.4399999999999999 108.517 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.609 HG11 ' HG2' ' A' ' 46' ' ' LYS . 1.6 t -107.08 105.16 54.83 Favored Pre-proline 0 C--N 1.312 -1.062 0 O-C-N 120.932 -1.105 . . . . 1.3 108.808 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' A' ' 32' ' ' SER . 39.3 Cg_endo -65.16 114.4 2.81 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.84 1.442 . . . . 1.6100000000000001 109.93 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 66.05 9.72 6.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.334 -0.854 . . . . 2.2599999999999998 109.067 -178.426 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.964 HD11 ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER 71.11 -0.17 3.18 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.643 0.735 . . . . 1.8999999999999999 111.11 -179.666 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 46.94 37.46 4.99 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.564 -0.71 . . . . 3.6699999999999999 111.555 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.9 -45.1 0.86 Allowed Glycine 0 N--CA 1.492 2.424 0 C-N-CA 119.247 -1.454 . . . . 2.3199999999999998 110.683 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.588 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.7 mm-40 -68.72 135.06 50.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.005 -1.291 . . . . 3.4700000000000002 110.506 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 38' ' ' ALA . 21.8 mmtm -52.14 -20.56 2.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 3.9500000000000002 109.264 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.83 ' HB1' ' HB3' ' A' ' 42' ' ' GLN . . . 44.52 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.495 -0.753 . . . . 3.7000000000000002 111.628 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.554 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 1.4 p -112.01 -78.52 0.58 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.155 -0.965 . . . . 4.5700000000000003 110.489 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HB3' HG23 ' B' ' 19' ' ' ILE . 0.0 OUTLIER -107.96 -52.25 2.79 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.349 -0.982 . . . . 6.3600000000000003 108.349 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 1.113 ' CB ' HG22 ' B' ' 19' ' ' ILE . . . -93.16 35.16 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.912 -1.144 . . . . 2.4399999999999999 107.912 177.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.83 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -41.18 -64.56 0.53 Allowed 'General case' 0 C--N 1.291 -1.956 0 CA-C-O 121.525 0.678 . . . . 2.8399999999999999 110.319 -178.499 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.59 HG21 ' HB3' ' A' ' 26' ' ' LEU . 1.1 mp -72.79 -21.06 19.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 C-N-CA 118.878 -1.129 . . . . 2.9500000000000002 109.986 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.989 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 3.6 mt -61.72 -52.9 62.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.513 -1.367 . . . . 1.4299999999999999 107.973 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -50.17 -55.1 16.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.17 -0.956 . . . . 2.29 108.576 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.964 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -64.09 -63.61 1.11 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.285 -0.884 . . . . 2.6600000000000001 109.429 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.548 ' HB1' ' HB1' ' B' ' 47' ' ' ALA . . . -33.75 -55.65 0.46 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.937 -0.477 . . . . 0.72999999999999998 111.204 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.746 HG21 ' HB3' ' B' ' 25' ' ' SER . 1.2 m -55.14 -53.0 61.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.12 -0.987 . . . . 1.76 110.857 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -63.22 -24.53 67.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.118 -0.989 . . . . 2.2599999999999998 110.552 -179.217 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.572 ' HD2' HG23 ' B' ' 51' ' ' ILE . 1.9 m-30 -78.55 -51.1 10.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.132 -0.98 . . . . 2.2599999999999998 110.403 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' B' ' 29' ' ' SER . 23.6 mt -52.43 -56.29 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.88 110.444 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -65.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.177 -0.952 . . . . 2.4399999999999999 110.344 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -46.9 -63.25 1.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 1.73 110.272 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 40.7 mtt -45.79 -72.61 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 1.3999999999999999 111.191 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' MET . 1.6 ttp180 -39.49 -49.16 2.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.319 -0.863 . . . . 2.6000000000000001 110.971 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 2.46 110.472 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -51.14 -45.52 61.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 2.3599999999999999 110.521 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' MET . 30.2 t -40.82 -59.94 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 1.3999999999999999 110.611 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.56 -60.39 3.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 2.1200000000000001 110.584 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.2 m -52.65 -51.44 60.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 1.3500000000000001 110.566 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 61' ' ' LEU . 12.0 mt -49.56 -65.93 0.48 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 0.80000000000000004 110.757 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.537 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.37 2.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.322 -0.861 . . . . 1.8500000000000001 110.662 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.03 -39.2 1.85 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -0.938 . . . . 1.75 110.35 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -72.85 -28.48 62.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 1.4299999999999999 110.033 179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.542 HD11 HD11 ' B' ' 65' ' ' ILE . 1.8 mt -74.16 -32.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.327 -0.858 . . . . 0.56000000000000005 109.503 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -54.88 11.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 2.02 110.034 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -52.62 -35.06 53.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -0.9 . . . . 1.6000000000000001 110.15 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 64' ' ' ASP . 1.6 mm? -68.19 -68.9 0.36 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.68000000000000005 110.94 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HA ' HD11 ' B' ' 68' ' ' LEU . 0.0 OUTLIER -40.77 -31.06 0.14 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.747 . . . . 2.2000000000000002 110.214 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.54 -47.94 62.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.271 -0.893 . . . . 3.0099999999999998 110.164 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.879 ' C ' HD12 ' A' ' 75' ' ' LEU . 88.6 mm-40 -60.48 -76.05 0.05 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.317 -0.864 . . . . 1.8899999999999999 110.672 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' OD1' ' HA ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -39.14 -26.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.29 -0.881 . . . . 0.95999999999999996 110.645 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -73.61 -48.01 35.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.94 -1.1 . . . . 0.68999999999999995 109.118 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 70' ' ' ARG . 1.2 mt -73.48 -36.16 65.77 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.747 . . . . 1.8400000000000001 109.296 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.879 HD12 ' C ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -57.87 -54.28 48.71 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.426 -0.796 . . . . 0.54000000000000004 109.36 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 3.6 mt-10 -52.69 -46.24 67.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.491 -0.756 . . . . 1.6499999999999999 110.074 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.935 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -53.45 -19.35 3.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 1.8799999999999999 109.99 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -106.13 -43.28 4.86 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.191 -1.04 . . . . 1.5600000000000001 108.191 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.117 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -53.67 -37.58 32.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 115.833 -0.621 . . . . 0.72999999999999998 109.627 178.562 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -98.55 -29.82 12.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 2.8500000000000001 110.332 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.935 ' HB2' ' O ' ' A' ' 77' ' ' GLN . . . -49.39 -46.08 46.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.058 -1.027 . . . . 1.23 110.247 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER -79.09 -40.54 30.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.2 -0.938 . . . . 1.6799999999999999 110.366 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.02 64.6 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.209 -0.932 . . . . 1.8999999999999999 110.287 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -141.36 -39.48 0.08 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.561 -1.416 . . . . 1.6399999999999999 109.561 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -141.0 35.97 1.75 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -1.169 . . . . 2.5800000000000001 110.311 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 87' ' ' CYS . . . 44.22 73.81 0.24 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.604 -1.398 . . . . 1.7 109.604 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.473 ' C ' ' O ' ' A' ' 86' ' ' GLY . 14.1 p . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 117.96 -1.019 . . . . 2.1600000000000001 110.907 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.23 0.538 . . . . 2.9700000000000002 110.219 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.94 46.72 2.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.267 -0.895 . . . . 1.6200000000000001 110.172 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' B' ' 4' ' ' LYS . 30.7 t70 -164.87 75.84 0.28 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.21 -0.931 . . . . 2.8900000000000001 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' B' ' 3' ' ' ASP . 0.0 OUTLIER 60.96 115.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.204 -0.935 . . . . 2.4100000000000001 110.217 179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -55.89 -80.54 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.237 -0.914 . . . . 2.3199999999999998 110.191 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' B' ' 7' ' ' HIS . . . -171.85 178.76 2.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.299 -0.875 . . . . 1.5800000000000001 110.242 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' B' ' 6' ' ' ALA . 10.0 t-160 62.73 57.71 1.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.276 -0.89 . . . . 2.0499999999999998 110.098 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -153.8 74.01 0.97 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.28 -0.887 . . . . 3.23 110.172 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -87.02 176.32 7.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.295 -0.878 . . . . 2.0099999999999998 110.168 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.89 159.93 20.24 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 1.79 110.147 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -96.06 -16.25 21.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.212 -0.93 . . . . 2.1899999999999999 110.21 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.58 120.78 21.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.249 -0.907 . . . . 3.1600000000000001 110.253 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.45 159.25 0.06 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.263 -0.898 . . . . 4.1500000000000004 110.191 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -110.33 149.76 29.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 4.6299999999999999 110.423 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -97.96 -15.42 20.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.286 -0.884 . . . . 4.9199999999999999 110.365 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -49.9 12.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.954 . . . . 3.8500000000000001 110.052 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 17' ' ' ASP . 0.9 OUTLIER -84.94 15.11 4.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.279 -0.888 . . . . 5.5899999999999999 109.738 179.429 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -66.17 0.55 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.412 -0.805 . . . . 4.2199999999999998 110.63 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 1.113 HG22 ' CB ' ' A' ' 41' ' ' ALA . 3.3 pt -55.03 -58.4 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 118.438 -1.305 . . . . 1.99 109.667 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 19' ' ' ILE . 0.8 OUTLIER -27.76 -52.77 0.08 Allowed 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.548 -0.72 . . . . 2.8300000000000001 110.355 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 6.4 m-20 -55.3 -60.25 3.66 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.836 -1.172 . . . . 2.7200000000000002 107.836 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' B' ' 19' ' ' ILE . 1.5 t -57.01 -47.1 81.68 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.124 -1.065 . . . . 1.8200000000000001 108.124 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.536 ' HB2' ' HA ' ' B' ' 20' ' ' LYS . 1.1 m-85 -43.96 -56.69 3.77 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.618 -0.882 . . . . 1.6200000000000001 108.618 178.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.495 ' HB3' ' O ' ' B' ' 21' ' ' ASP . 3.9 t-80 -42.64 -47.45 5.29 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.714 -0.795 . . . . 2.4100000000000001 108.887 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.746 ' HB3' HG21 ' A' ' 48' ' ' THR . 0.1 OUTLIER -63.07 -49.62 73.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.487 -0.931 . . . . 1.3600000000000001 108.487 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB3' ' CB ' ' B' ' 43' ' ' ILE . 0.4 OUTLIER -53.99 -37.85 64.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.375 -0.972 . . . . 1.6299999999999999 108.375 178.43 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' B' ' 24' ' ' HIS . 3.3 tpt180 -53.24 -32.92 50.71 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.137 -1.06 . . . . 2.4500000000000002 108.137 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' B' ' 25' ' ' SER . 36.4 t70 -67.66 -26.46 66.22 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 108.921 -0.77 . . . . 1.76 108.921 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.693 ' HB3' HG21 ' A' ' 51' ' ' ILE . 49.7 m -66.0 -74.78 0.1 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.599 -0.841 . . . . 1.24 108.794 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.639 HG11 ' HG2' ' B' ' 46' ' ' LYS . 1.4 t -108.17 104.59 54.24 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.84999999999999998 109.114 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' B' ' 32' ' ' SER . 39.5 Cg_endo -65.15 114.26 2.75 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 O-C-N 123.921 1.485 . . . . 1.77 109.984 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' B' ' 33' ' ' LEU . 0.5 OUTLIER 66.11 9.85 6.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 2.04 109.143 -178.524 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.959 HD11 ' HB2' ' B' ' 46' ' ' LYS . 0.2 OUTLIER 71.16 -0.32 3.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.527 -0.733 . . . . 1.4299999999999999 110.937 -179.726 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 46.85 37.31 4.69 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.578 -0.701 . . . . 3.3399999999999999 111.469 178.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.68 -44.21 0.92 Allowed Glycine 0 N--CA 1.49 2.299 0 C-N-CA 119.241 -1.457 . . . . 2.0600000000000001 110.779 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.722 ' HB2' HD12 ' B' ' 33' ' ' LEU . 4.7 mm-40 -69.53 135.33 49.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.916 -1.343 . . . . 2.8700000000000001 110.506 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' B' ' 38' ' ' ALA . 21.6 mmtm -51.97 -21.09 2.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 3.77 109.195 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.827 ' HB1' ' HB3' ' B' ' 42' ' ' GLN . . . 44.97 98.83 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.504 -0.747 . . . . 2.2000000000000002 111.595 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.559 ' N ' ' HG3' ' B' ' 42' ' ' GLN . 1.4 p -111.94 -78.5 0.58 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.185 -0.947 . . . . 2.6400000000000001 110.541 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.571 ' HB3' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.98 -52.33 2.78 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.36 -0.978 . . . . 4.2199999999999998 108.36 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 1.12 ' HB2' HG22 ' A' ' 19' ' ' ILE . . . -93.27 35.25 1.09 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.793 -1.188 . . . . 2.0 107.793 177.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.827 ' HB3' ' HB1' ' B' ' 38' ' ' ALA . 0.0 OUTLIER -41.24 -64.39 0.56 Allowed 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.456 0.646 . . . . 2.48 110.343 -178.576 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.583 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 1.0 OUTLIER -72.91 -20.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 C-N-CA 118.905 -1.118 . . . . 2.3999999999999999 109.981 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.957 ' HB2' ' HB1' ' B' ' 41' ' ' ALA . 3.5 mt -61.77 -52.88 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.492 -1.38 . . . . 1.55 107.987 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -50.23 -55.13 16.58 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.149 -0.969 . . . . 2.4900000000000002 108.548 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.959 ' HB2' HD11 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -63.97 -63.75 1.07 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.521 -0.871 . . . . 2.1400000000000001 109.482 178.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -34.23 -55.06 0.51 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.845 -0.535 . . . . 0.70999999999999996 111.434 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.734 HG21 ' HB3' ' A' ' 25' ' ' SER . 1.2 m -55.08 -53.08 60.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.048 -1.032 . . . . 2.02 110.713 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.543 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 0.1 OUTLIER -63.16 -24.57 67.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 2.27 110.583 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.546 ' HD2' HG23 ' A' ' 51' ' ' ILE . 1.9 m-30 -78.52 -51.18 10.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.126 -0.984 . . . . 2.3599999999999999 110.422 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.662 HG21 ' HB3' ' A' ' 29' ' ' SER . 24.0 mt -52.43 -56.24 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 1.3300000000000001 110.397 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -65.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 2.4900000000000002 110.341 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.483 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -46.92 -63.12 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 1.48 110.25 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.48 ' O ' HG23 ' B' ' 58' ' ' VAL . 40.8 mtt -45.84 -72.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.95999999999999996 111.174 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.416 ' O ' ' HB ' ' B' ' 58' ' ' VAL . 1.5 ttp180 -39.37 -49.22 1.99 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.263 -0.898 . . . . 2.5299999999999998 110.939 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.35 -73.21 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 3.1000000000000001 110.502 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -51.15 -45.58 61.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 1.52 110.57 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 54' ' ' MET . 29.2 t -40.76 -60.04 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.29 -0.881 . . . . 0.85999999999999999 110.583 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.48 -60.37 3.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.918 . . . . 1.96 110.629 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 94.1 m -52.78 -51.36 60.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.181 -0.95 . . . . 0.83999999999999997 110.552 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.466 ' HA ' HD23 ' B' ' 61' ' ' LEU . 12.0 mt -49.6 -65.94 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.232 -0.918 . . . . 1.0600000000000001 110.686 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.525 ' HA ' HG13 ' B' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.33 2.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.325 -0.859 . . . . 1.52 110.626 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' B' ' 62' ' ' GLN . 0.0 OUTLIER -41.95 -39.37 1.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 1.5 110.398 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.631 ' O ' HD23 ' B' ' 68' ' ' LEU . 0.8 OUTLIER -72.75 -28.48 62.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 1.3899999999999999 110.066 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.542 HD11 HD11 ' A' ' 65' ' ' ILE . 1.9 mt -74.19 -32.67 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.31 -0.869 . . . . 0.64000000000000001 109.497 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -54.93 11.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 1.77 110.012 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' B' ' 71' ' ' GLN . 71.7 m-20 -52.55 -35.14 53.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 1.8799999999999999 110.157 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.631 HD23 ' O ' ' B' ' 64' ' ' ASP . 1.7 mm? -68.18 -69.01 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.242 -0.911 . . . . 1.0700000000000001 110.952 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.67 -30.72 0.13 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.439 -0.788 . . . . 2.25 110.317 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -69.92 -47.93 60.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 2.75 110.092 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.884 ' C ' HD12 ' B' ' 75' ' ' LEU . 88.8 mm-40 -60.4 -75.88 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 2.0 110.696 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' B' ' 69' ' ' LYS . 9.3 p-10 -38.77 -27.12 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.281 -0.887 . . . . 0.69999999999999996 110.706 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -73.59 -47.96 36.37 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 0.64000000000000001 109.155 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 1.2 mt -73.59 -36.04 65.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.531 -0.731 . . . . 1.3 109.316 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.884 HD12 ' C ' ' B' ' 71' ' ' GLN . 0.4 OUTLIER -57.93 -54.12 50.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.404 -0.81 . . . . 0.52000000000000002 109.356 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.513 ' HG3' HD21 ' A' ' 75' ' ' LEU . 3.5 mt-10 -52.91 -46.25 67.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 1.3500000000000001 109.982 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.958 ' O ' ' HB2' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -53.39 -19.29 3.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.197 -0.939 . . . . 2.1000000000000001 110.001 179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -106.17 -43.33 4.84 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.155 -1.054 . . . . 1.98 108.155 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 1.117 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -53.65 -37.63 32.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 CA-C-N 115.81 -0.632 . . . . 0.77000000000000002 109.649 178.608 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -98.51 -29.78 12.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 2.75 110.386 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.958 ' HB2' ' O ' ' B' ' 77' ' ' GLN . . . -49.42 -46.07 47.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.035 -1.041 . . . . 1.1499999999999999 110.262 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' B' ' 84' ' ' GLY . 0.4 OUTLIER -79.15 -40.42 30.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.18 -0.95 . . . . 1.0800000000000001 110.391 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 64.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.182 -0.948 . . . . 2.2599999999999998 110.294 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 82' ' ' LEU . . . -141.32 -39.38 0.08 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.575 -1.41 . . . . 1.76 109.575 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.421 ' O ' ' C ' ' B' ' 86' ' ' GLY . 0.2 OUTLIER -141.01 36.0 1.75 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.242 -1.152 . . . . 3.1099999999999999 110.241 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' B' ' 87' ' ' CYS . . . 44.2 73.78 0.24 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.608 -1.397 . . . . 2.1600000000000001 109.608 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' CYS . . . . . 0.474 ' C ' ' O ' ' B' ' 86' ' ' GLY . 14.2 p . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 118.006 -0.997 . . . . 3.46 110.887 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.25 0.548 . . . . 3.4100000000000001 110.199 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.91 99.12 0.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.845 . . . . 2.8399999999999999 110.162 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -112.86 61.27 0.64 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 2.54 110.198 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -111.29 -172.2 1.98 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.232 -0.918 . . . . 2.98 110.229 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.82 162.8 13.26 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 2.6600000000000001 110.176 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.15 132.16 56.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -0.904 . . . . 1.53 110.126 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.89 -58.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 3.0699999999999998 110.379 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 10' ' ' ALA . 16.3 m-70 -86.75 174.21 8.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 3.73 110.313 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.506 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 45.1 m-80 60.47 -73.52 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.487 -0.758 . . . . 3.0600000000000001 110.662 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' HIS . . . 58.64 176.41 0.07 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.21 -0.931 . . . . 1.6799999999999999 109.967 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.91 61.91 3.24 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -0.925 . . . . 2.79 110.261 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -150.79 119.56 6.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 4.04 110.294 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.14 -152.74 0.52 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.874 . . . . 2.77 109.913 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.11 14.86 9.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 3.4399999999999999 110.188 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' NE ' ' B' ' 40' ' ' ARG . 40.9 mtp180 -134.22 -24.09 1.65 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.231 -0.918 . . . . 3.4300000000000002 110.915 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -122.78 31.32 6.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.774 -1.204 . . . . 3.4700000000000002 110.104 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 28.1 t0 -132.9 -59.56 0.89 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.359 -0.838 . . . . 3.8100000000000001 110.089 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -39.41 -73.1 0.05 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.448 -0.783 . . . . 6.29 110.981 -179.655 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.042 HG23 HD12 ' B' ' 44' ' ' LEU . 31.4 mm -43.92 -78.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.101 -1.0 . . . . 1.72 108.78 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 19.0 mttp -32.69 -44.47 0.11 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.579 -0.701 . . . . 4.71 110.459 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 3.1 t0 -58.99 -57.12 14.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.829 -1.169 . . . . 2.7599999999999998 108.132 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' LEU . 39.8 m -59.98 -38.32 82.22 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.188 -1.042 . . . . 1.6399999999999999 108.188 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.85 ' CE1' ' HB1' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -50.84 -61.97 1.89 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.306 -0.998 . . . . 1.9299999999999999 108.306 178.457 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -44.17 -44.14 7.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.322 -0.951 . . . . 2.3100000000000001 108.948 179.038 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -70.01 -31.97 69.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.782 . . . . 1.74 108.911 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.743 ' HB3' HD13 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -77.55 -52.04 9.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.562 -0.711 . . . . 1.74 109.682 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.567 ' N ' HG12 ' A' ' 43' ' ' ILE . 4.6 ttm180 -51.48 -39.39 57.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 2.2599999999999998 109.057 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -77.53 -2.43 35.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.535 -0.728 . . . . 2.29 109.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.512 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -88.02 -41.07 13.36 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.353 -0.842 . . . . 1.4399999999999999 111.566 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.018 HG12 ' HG ' ' A' ' 33' ' ' LEU . 92.6 t -120.08 72.49 18.02 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 120.362 -1.461 . . . . 1.3 111.109 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' C ' ' A' ' 29' ' ' SER . 51.5 Cg_endo -79.73 2.57 8.28 Favored 'Trans proline' 0 C--N 1.3 -2.001 0 O-C-N 123.802 1.422 . . . . 1.6100000000000001 108.644 178.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -110.71 20.24 17.82 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.602 -0.686 . . . . 2.2599999999999998 110.428 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.04 HD23 ' HG3' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -44.77 -49.77 10.47 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.536 -1.283 . . . . 1.8999999999999999 107.536 178.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 43.4 18.36 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 115.316 -0.856 . . . . 3.6699999999999999 112.088 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' LEU . . . -154.95 12.58 0.45 Allowed Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.782 -1.327 . . . . 2.3199999999999998 109.782 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' OE1' ' HB3' ' A' ' 45' ' ' ASP . 5.6 mm-40 -125.43 154.22 42.29 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.118 -1.225 . . . . 3.4700000000000002 110.193 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 38' ' ' ALA . 3.3 tptm -86.31 22.98 1.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 3.9500000000000002 109.786 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.635 ' HA ' ' CB ' ' A' ' 42' ' ' GLN . . . 39.77 -168.22 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.869 0.842 . . . . 3.7000000000000002 112.209 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER 158.8 -162.92 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.297 -1.001 . . . . 4.5700000000000003 108.297 -179.171 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -49.83 -67.56 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.563 -1.336 . . . . 6.3600000000000003 109.301 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.85 ' HB1' ' CE1' ' A' ' 23' ' ' PHE . . . -117.89 71.04 0.81 Allowed 'General case' 0 C--N 1.309 -1.162 0 O-C-N 120.853 -1.155 . . . . 2.4399999999999999 108.471 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.693 HE22 HD11 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -60.36 -0.97 0.29 Allowed 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.356 -0.838 . . . . 2.8399999999999999 112.451 -179.237 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -75.55 -55.18 12.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.059 -1.651 . . . . 2.9500000000000002 108.561 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.045 HD12 HG23 ' B' ' 19' ' ' ILE . 5.3 mt -31.56 -38.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.203 0.525 . . . . 1.4299999999999999 110.296 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.6 t0 -66.82 -59.04 3.89 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.546 -1.279 . . . . 2.29 107.546 177.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 1.04 ' HG3' HD23 ' A' ' 33' ' ' LEU . 2.2 mmtt -68.29 -39.71 82.0 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 119.381 -0.928 . . . . 2.6600000000000001 110.078 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.474 ' O ' HG13 ' A' ' 51' ' ' ILE . . . -52.69 -67.32 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.026 -1.046 . . . . 0.72999999999999998 110.457 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.53 HG23 ' HG ' ' B' ' 26' ' ' LEU . 1.3 m -43.99 -55.19 4.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.064 -1.023 . . . . 1.76 110.659 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.53 71.81 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 118.542 -1.263 . . . . 2.2599999999999998 110.053 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.57 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 m-85 -66.84 -48.73 67.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 2.2599999999999998 110.932 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 10.6 mt -50.87 -34.46 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.047 -1.033 . . . . 0.88 110.617 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' TYR . 21.8 mm-40 -89.04 -65.12 1.05 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 2.4399999999999999 110.337 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -41.08 -34.03 0.4 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.277 -0.889 . . . . 1.73 110.194 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.477 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 3.7 mmt -81.42 -53.06 6.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.107 -0.996 . . . . 1.3999999999999999 110.449 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -49.2 -45.92 44.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 2.6000000000000001 110.175 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.6 -41.24 75.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 2.46 110.168 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.75 -56.53 18.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 2.3599999999999999 110.07 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.29 -32.46 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 1.3999999999999999 110.145 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -63.29 -67.56 0.41 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 2.1200000000000001 110.018 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.4 m -63.11 -27.0 69.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -0.919 . . . . 1.3500000000000001 110.018 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 64' ' ' ASP . 19.8 mt -69.41 -72.28 0.19 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.80000000000000004 109.934 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.8 OUTLIER -40.42 -50.61 2.87 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.546 -0.721 . . . . 1.8500000000000001 110.118 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.46 -32.6 27.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.276 -0.89 . . . . 1.75 109.773 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.2 m-20 -82.72 -21.4 34.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 1.4299999999999999 109.966 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.567 HD11 HD11 ' B' ' 65' ' ' ILE . 2.5 mt -76.46 -38.79 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 0.56000000000000005 109.16 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -42.92 68.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.825 . . . . 2.02 109.275 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 12.4 t0 -56.91 -43.7 81.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.367 -0.833 . . . . 1.6000000000000001 109.509 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 62.2 mt -68.97 -48.46 63.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.68000000000000005 109.586 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.627 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 10.1 ttmt -48.77 -49.72 37.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.2000000000000002 109.631 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.692 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -59.34 -46.95 87.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.281 -0.887 . . . . 3.0099999999999998 109.778 179.586 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.862 ' O ' HD12 ' A' ' 75' ' ' LEU . 73.2 mt-30 -47.56 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 1.8899999999999999 110.754 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.627 ' ND2' ' O ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -38.6 -26.79 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.201 -0.937 . . . . 0.95999999999999996 110.967 -178.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -66.57 -35.67 80.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.877 -1.139 . . . . 0.68999999999999995 109.507 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' A' ' 70' ' ' ARG . 6.1 mp -85.84 -47.48 9.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.451 -0.78 . . . . 1.8400000000000001 110.559 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.862 HD12 ' O ' ' A' ' 71' ' ' GLN . 3.1 mp -61.54 -24.44 66.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.991 -1.068 . . . . 0.54000000000000004 109.572 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' B' ' 75' ' ' LEU . 1.6 tp10 -80.82 -48.91 11.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 1.6499999999999999 110.362 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.854 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 11.3 pt20 -67.28 -6.85 20.25 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.189 -0.944 . . . . 1.8799999999999999 110.253 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.568 ' O ' HD22 ' A' ' 82' ' ' LEU . 19.6 tp60 -105.25 -42.5 5.25 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.037 -1.097 . . . . 1.5600000000000001 108.037 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.062 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -53.48 -42.36 48.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 N-CA-C 109.203 -0.666 . . . . 0.72999999999999998 109.203 178.318 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.542 ' HA ' ' HB2' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -89.45 -35.32 16.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -0.763 . . . . 2.8500000000000001 110.258 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.854 ' HB2' ' O ' ' A' ' 77' ' ' GLN . . . -49.12 -30.93 7.26 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 1.23 110.653 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 78' ' ' GLN . 0.5 OUTLIER -118.39 5.97 11.82 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.052 -1.03 . . . . 1.6799999999999999 110.635 -179.627 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -58.96 80.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.125 -0.984 . . . . 1.8999999999999999 110.435 -179.757 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -120.51 90.04 0.46 Allowed Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.139 -1.584 . . . . 1.6399999999999999 109.139 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER 68.84 33.08 3.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -1.127 . . . . 2.5800000000000001 109.971 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.11 73.27 0.3 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.52 -1.432 . . . . 1.7 109.52 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.42 ' C ' ' HB2' ' B' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.26 -1.141 . . . . 2.1600000000000001 110.214 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' B' ' 2' ' ' ALA . 8.7 mtt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.27 0.557 . . . . 2.9700000000000002 110.15 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' B' ' 1' ' ' MET . . . -175.94 99.19 0.07 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.246 -0.909 . . . . 1.6200000000000001 110.112 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -112.93 61.19 0.64 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.289 -0.882 . . . . 2.8900000000000001 110.235 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -111.3 -172.31 2.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 2.4100000000000001 110.239 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.59 162.86 13.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 2.3199999999999998 110.172 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.18 132.26 56.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.888 . . . . 1.5800000000000001 110.143 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.77 -58.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.185 -0.947 . . . . 2.0499999999999998 110.334 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' B' ' 10' ' ' ALA . 16.2 m-70 -86.71 174.07 9.07 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 3.23 110.361 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 45.5 m-80 60.56 -73.48 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.549 -0.719 . . . . 2.0099999999999998 110.621 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' B' ' 8' ' ' HIS . . . 58.71 176.38 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.155 -0.966 . . . . 1.79 110.017 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.96 61.92 3.27 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.17 -0.956 . . . . 2.1899999999999999 110.19 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -150.81 119.57 6.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.288 -0.882 . . . . 3.1600000000000001 110.352 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.13 -152.8 0.52 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 4.1500000000000004 109.952 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.02 14.85 9.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.192 -0.943 . . . . 4.6299999999999999 110.196 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.556 ' O ' ' NE ' ' A' ' 40' ' ' ARG . 41.1 mtp180 -134.37 -23.78 1.64 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 4.9199999999999999 110.954 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -123.04 31.32 6.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.782 -1.199 . . . . 3.8500000000000001 110.06 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 28.2 t0 -132.99 -59.53 0.88 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 5.5899999999999999 110.065 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -39.32 -73.19 0.05 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.532 -0.73 . . . . 4.2199999999999998 110.941 -179.683 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 1.045 HG23 HD12 ' A' ' 44' ' ' LEU . 32.0 mm -43.67 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.161 -0.962 . . . . 1.99 108.871 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.565 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 18.8 mttp -32.8 -44.59 0.11 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.619 -0.675 . . . . 2.8300000000000001 110.475 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' B' ' 17' ' ' ASP . 3.1 t0 -58.86 -57.23 13.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.871 -1.143 . . . . 2.7200000000000002 108.142 178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.488 ' O ' ' N ' ' B' ' 26' ' ' LEU . 40.0 m -59.92 -38.13 81.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.208 -1.034 . . . . 1.8200000000000001 108.208 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.839 ' CE1' ' HB1' ' B' ' 41' ' ' ALA . 0.8 OUTLIER -51.03 -61.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.314 -0.995 . . . . 1.6200000000000001 108.314 178.52 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -44.25 -44.13 7.76 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.339 -0.944 . . . . 2.4100000000000001 109.0 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -69.94 -32.02 70.07 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.864 -0.791 . . . . 1.3600000000000001 108.864 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.77 ' HB3' HD13 ' B' ' 43' ' ' ILE . 0.5 OUTLIER -77.36 -53.0 8.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 1.6299999999999999 109.642 179.295 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.57 ' N ' HG12 ' B' ' 43' ' ' ILE . 4.5 ttm180 -50.66 -39.55 51.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.17 -0.956 . . . . 2.4500000000000002 109.14 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.54 -2.28 34.79 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.54 -0.725 . . . . 1.76 109.538 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -87.85 -42.29 12.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.323 -0.861 . . . . 1.24 111.341 -179.321 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 1.038 HG12 ' HG ' ' B' ' 33' ' ' LEU . 92.9 t -118.82 72.56 11.29 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 120.454 -1.404 . . . . 0.84999999999999998 111.346 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' C ' ' B' ' 29' ' ' SER . 51.0 Cg_endo -79.79 2.59 8.27 Favored 'Trans proline' 0 C--N 1.301 -1.955 0 O-C-N 123.698 1.367 . . . . 1.77 108.59 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.459 ' O ' ' C ' ' B' ' 33' ' ' LEU . 0.5 OUTLIER -110.87 20.6 17.38 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.571 -0.706 . . . . 2.04 110.448 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 1.044 HD23 ' HG3' ' B' ' 46' ' ' LYS . 0.6 OUTLIER -45.29 -49.39 12.7 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.465 -1.309 . . . . 1.4299999999999999 107.465 178.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 43.34 18.43 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 115.353 -0.839 . . . . 3.3399999999999999 112.109 178.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' B' ' 33' ' ' LEU . . . -154.93 12.32 0.45 Allowed Glycine 0 N--CA 1.487 2.057 0 C-N-CA 119.479 -1.343 . . . . 2.0600000000000001 109.912 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.438 ' OE1' ' HB3' ' B' ' 45' ' ' ASP . 5.7 mm-40 -125.22 154.24 41.93 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.089 -1.242 . . . . 2.8700000000000001 110.222 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' B' ' 38' ' ' ALA . 3.3 tptm -86.29 23.02 1.65 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.278 -0.889 . . . . 3.77 109.823 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.638 ' HA ' ' CB ' ' B' ' 42' ' ' GLN . . . 39.83 -168.21 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.96 0.886 . . . . 2.2000000000000002 112.226 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 0.5 OUTLIER 158.77 -162.94 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.284 -1.006 . . . . 2.6400000000000001 108.284 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.528 ' NE ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -49.77 -67.67 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.588 -1.32 . . . . 4.2199999999999998 109.269 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.839 ' HB1' ' CE1' ' B' ' 23' ' ' PHE . . . -117.63 70.89 0.8 Allowed 'General case' 0 C--N 1.311 -1.109 0 O-C-N 120.881 -1.137 . . . . 2.0 108.419 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.71 HE22 HD11 ' B' ' 33' ' ' LEU . 0.9 OUTLIER -60.47 -0.77 0.28 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 115.503 -0.771 . . . . 2.48 112.438 -179.112 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.77 HD13 ' HB3' ' B' ' 26' ' ' LEU . 0.9 OUTLIER -75.67 -55.08 12.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 120.024 -1.673 . . . . 2.3999999999999999 108.588 -179.65 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 1.042 HD12 HG23 ' A' ' 19' ' ' ILE . 5.4 mt -31.55 -38.33 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.209 0.528 . . . . 1.55 110.341 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 43' ' ' ILE . 5.6 t0 -66.92 -59.09 3.81 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.492 -1.299 . . . . 2.4900000000000002 107.492 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 1.044 ' HG3' HD23 ' B' ' 33' ' ' LEU . 2.3 mmtt -68.08 -39.62 82.86 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 119.33 -0.948 . . . . 2.1400000000000001 110.174 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -53.43 -66.94 0.3 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.09 . . . . 0.70999999999999996 110.59 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.509 HG23 ' HG ' ' A' ' 26' ' ' LEU . 1.3 m -43.84 -55.14 4.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.057 -1.027 . . . . 2.02 110.548 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.56 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.45 71.68 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.584 -1.246 . . . . 2.27 109.992 -179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.609 ' HE2' ' HZ2' ' B' ' 46' ' ' LYS . 1.3 m-85 -67.02 -48.6 67.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.995 . . . . 2.3599999999999999 111.0 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' B' ' 55' ' ' ARG . 10.6 mt -50.84 -34.61 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.054 -1.029 . . . . 1.3300000000000001 110.57 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' B' ' 53' ' ' TYR . 22.0 mm-40 -88.92 -65.0 1.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.07 -1.019 . . . . 2.4900000000000002 110.451 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -41.27 -33.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.341 -0.849 . . . . 1.48 110.18 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.477 ' SD ' ' HB3' ' A' ' 54' ' ' MET . 3.7 mmt -81.4 -53.13 6.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 0.95999999999999996 110.448 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -49.15 -45.95 44.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.117 -0.99 . . . . 2.5299999999999998 110.125 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -69.58 -41.3 75.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.296 -0.878 . . . . 3.1000000000000001 110.099 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.0 OUTLIER -61.72 -56.49 19.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 1.52 110.077 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.27 -32.59 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 0.85999999999999999 110.155 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.18 -67.52 0.42 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 1.96 110.063 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 91.6 m -63.21 -27.01 69.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.83999999999999997 109.974 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.514 ' O ' HG13 ' B' ' 65' ' ' ILE . 19.9 mt -69.39 -72.16 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.913 . . . . 1.0600000000000001 109.943 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.513 ' CA ' HG13 ' B' ' 65' ' ' ILE . 0.8 OUTLIER -40.55 -50.55 2.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.522 -0.736 . . . . 1.52 110.103 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.59 -32.52 28.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.863 . . . . 1.5 109.767 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 61' ' ' LEU . 1.2 m-20 -82.69 -21.4 34.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.3899999999999999 109.919 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.567 HD11 HD11 ' A' ' 65' ' ' ILE . 2.6 mt -76.53 -38.7 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.64000000000000001 109.152 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -43.02 68.29 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.387 -0.821 . . . . 1.77 109.274 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' B' ' 71' ' ' GLN . 12.6 t0 -56.77 -43.76 81.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.371 -0.831 . . . . 1.8799999999999999 109.463 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 68' ' ' LEU . 63.9 mt -69.04 -48.31 63.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 1.0700000000000001 109.605 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.441 ' HA ' HD22 ' A' ' 68' ' ' LEU . 10.1 ttmt -48.86 -49.86 37.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 2.25 109.607 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -59.05 -47.27 85.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 2.75 109.82 179.545 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.856 ' O ' HD12 ' B' ' 75' ' ' LEU . 73.0 mt-30 -47.27 -81.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 2.0 110.675 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -36.7 -29.3 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.69999999999999996 110.734 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -66.38 -35.67 80.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.085 -1.009 . . . . 0.64000000000000001 109.727 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 6.1 mp -85.83 -47.6 9.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 1.3 110.558 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.856 HD12 ' O ' ' B' ' 71' ' ' GLN . 3.1 mp -61.34 -24.54 66.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.012 -1.055 . . . . 0.52000000000000002 109.576 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 1.6 tp10 -80.8 -48.82 11.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.816 . . . . 1.3500000000000001 110.436 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.854 ' O ' ' HB2' ' B' ' 81' ' ' ALA . 11.3 pt20 -67.39 -6.78 20.6 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.157 -0.964 . . . . 2.1000000000000001 110.216 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.55 ' O ' HD22 ' B' ' 82' ' ' LEU . 19.6 tp60 -105.27 -42.56 5.23 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.952 -1.129 . . . . 1.98 107.952 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 1.062 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -53.52 -42.34 49.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 109.168 -0.678 . . . . 0.77000000000000002 109.168 178.413 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' B' ' 83' ' ' GLU . 0.1 OUTLIER -89.47 -35.25 16.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.487 -0.758 . . . . 2.75 110.288 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.854 ' HB2' ' O ' ' B' ' 77' ' ' GLN . . . -49.25 -30.92 7.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 1.1499999999999999 110.64 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.55 HD22 ' O ' ' B' ' 78' ' ' GLN . 0.5 OUTLIER -118.43 6.01 11.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.013 -1.055 . . . . 1.0800000000000001 110.611 -179.658 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.521 ' HB2' ' HA ' ' B' ' 80' ' ' ARG . 0.9 OUTLIER -58.88 80.29 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.973 . . . . 2.2599999999999998 110.375 -179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 82' ' ' LEU . . . -120.51 90.0 0.46 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.175 -1.57 . . . . 1.76 109.175 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' B' ' 84' ' ' GLY . 0.5 OUTLIER 69.02 32.97 3.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.333 -1.098 . . . . 3.1099999999999999 110.034 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.14 73.19 0.31 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.561 -1.416 . . . . 2.1600000000000001 109.561 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.221 -1.164 . . . . 3.46 110.229 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.231 0.539 . . . . 3.4100000000000001 110.287 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.8 99.42 0.47 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.155 -0.966 . . . . 2.8399999999999999 109.924 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -101.05 -25.53 14.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 2.54 110.467 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 15.6 pttt -118.82 136.17 54.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.92 . . . . 2.98 110.332 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -151.56 71.72 1.0 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.217 -0.927 . . . . 2.6600000000000001 110.164 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 -155.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 1.53 110.209 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 8' ' ' HIS . 7.6 m-70 -93.76 103.13 15.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.234 -0.916 . . . . 3.0699999999999998 110.274 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 7' ' ' HIS . 1.8 m-70 42.52 77.66 0.06 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.89 . . . . 3.73 110.259 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -56.13 148.8 17.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.253 -0.904 . . . . 3.0600000000000001 110.155 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.79 107.6 1.49 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 1.6799999999999999 110.355 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.26 -18.18 6.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 2.79 110.234 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -110.41 88.17 2.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 4.04 109.897 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.41 -32.42 48.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.326 -0.859 . . . . 2.77 110.638 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.51 -143.61 0.3 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.215 -0.928 . . . . 3.4399999999999999 110.73 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.07 46.21 0.97 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 3.4300000000000002 110.198 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -144.21 58.74 1.34 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.896 . . . . 3.4700000000000002 110.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.8 t0 178.85 -30.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 3.8100000000000001 110.261 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' CB ' ' HB2' ' B' ' 40' ' ' ARG . 67.9 m-70 -61.75 -65.96 0.61 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 6.29 110.534 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.681 HG22 HD22 ' B' ' 44' ' ' LEU . 10.1 pt -51.19 -46.56 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.845 -1.159 . . . . 1.72 109.887 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 23.9 mtpt -40.9 -59.37 1.45 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.206 -0.934 . . . . 4.71 109.626 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' LYS . 84.3 m-20 -45.0 -46.21 11.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.46 -0.941 . . . . 2.7599999999999998 108.46 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.539 ' CB ' ' HB3' ' B' ' 44' ' ' LEU . 1.0 OUTLIER -70.97 -47.68 57.61 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.955 -0.698 . . . . 1.6399999999999999 109.286 178.611 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.951 ' CE1' HD21 ' B' ' 44' ' ' LEU . 4.9 m-30 -43.86 -67.56 0.27 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.667 -0.864 . . . . 1.9299999999999999 108.667 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' PHE . 64.4 m80 -40.41 -53.99 2.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.592 -0.692 . . . . 2.3100000000000001 109.947 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.51 ' HB3' HG21 ' B' ' 48' ' ' THR . 0.2 OUTLIER -62.04 -37.89 86.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 1.74 109.307 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.812 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -69.51 -51.21 37.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.531 -0.731 . . . . 1.74 109.535 179.476 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -50.52 -36.83 35.91 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.52 -0.918 . . . . 2.2599999999999998 108.52 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.73 65.78 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.6 -0.889 . . . . 2.29 108.6 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' LEU . 12.3 m -63.93 -61.71 2.11 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.823 -0.806 . . . . 1.4399999999999999 108.823 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 33' ' ' LEU . 7.9 t -109.57 102.16 48.82 Favored Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 119.028 -1.069 . . . . 1.3 109.584 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.564 ' O ' ' HB2' ' A' ' 32' ' ' SER . 40.6 Cg_endo -67.06 118.59 5.69 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.028 1.541 . . . . 1.6100000000000001 110.728 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.564 ' HB2' ' O ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER 68.66 -8.29 0.64 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 116.095 -0.502 . . . . 2.2599999999999998 110.965 -179.203 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.693 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.8 OUTLIER 54.56 16.71 1.41 Allowed 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 123.044 1.402 . . . . 1.8999999999999999 111.566 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' LEU . 1.4 tp60 40.95 63.46 1.18 Allowed 'General case' 0 C--N 1.26 -3.316 0 CA-C-N 113.758 -1.565 . . . . 3.6699999999999999 109.282 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 36' ' ' GLU . . . 110.65 24.38 5.6 Favored Glycine 0 N--CA 1.486 2.016 0 N-CA-C 108.738 -1.745 . . . . 2.3199999999999998 108.738 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -35.43 159.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.645 0.736 . . . . 3.4700000000000002 111.501 -179.525 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 20.4 ptmt 171.8 -16.44 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.1 0.476 . . . . 3.9500000000000002 109.844 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.78 ' HB1' ' HB2' ' A' ' 45' ' ' ASP . . . -32.06 -93.65 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.671 -0.643 . . . . 3.7000000000000002 111.865 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 1.6 p 163.82 160.49 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.369 -0.832 . . . . 4.5700000000000003 110.971 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HD3' ' N ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER 41.87 -102.08 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.369 -0.832 . . . . 6.3600000000000003 111.006 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.871 ' HB1' ' CD1' ' A' ' 43' ' ' ILE . . . -78.77 -35.22 44.81 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.326 -1.484 . . . . 2.4399999999999999 107.223 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 12.9 mt-30 74.66 -18.35 0.43 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.312 -0.858 . . . . 2.8399999999999999 111.715 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.871 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -79.07 -20.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.63 -1.294 . . . . 2.9500000000000002 108.827 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.969 HD21 ' CE1' ' B' ' 23' ' ' PHE . 5.9 mp -68.63 -47.45 66.58 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.209 -0.996 . . . . 1.4299999999999999 108.656 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.78 ' HB2' ' HB1' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -52.04 -48.87 64.36 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.584 -0.895 . . . . 2.29 108.584 178.56 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.713 ' HZ3' HD13 ' B' ' 51' ' ' ILE . 0.2 OUTLIER -75.31 -40.64 58.28 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.405 -0.918 . . . . 2.6600000000000001 109.531 178.793 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.791 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -49.94 -48.34 51.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.502 -0.748 . . . . 0.72999999999999998 109.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.751 HG23 ' HA ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -65.26 -44.53 87.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.384 -0.823 . . . . 1.76 110.094 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 53' ' ' TYR . 37.6 mm-40 -61.87 -56.8 15.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 2.2599999999999998 110.135 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.502 ' O ' ' HB2' ' A' ' 54' ' ' MET . 2.8 m-30 -52.28 -64.84 0.69 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.114 -0.991 . . . . 2.2599999999999998 109.838 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' HA ' ' B' ' 47' ' ' ALA . 64.0 mt -41.65 -41.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 0.88 110.418 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' THR . 2.9 tt0 -80.1 -73.38 0.36 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.037 -1.039 . . . . 2.4399999999999999 110.304 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -44.58 -46.17 9.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 1.73 110.02 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.502 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -66.7 -55.65 14.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 1.3999999999999999 110.393 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 1.3 ttp180 -41.16 -71.23 0.09 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.217 -0.927 . . . . 2.6000000000000001 110.58 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -50.56 -28.83 9.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 2.46 110.453 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -71.39 -38.85 71.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 2.3599999999999999 110.24 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.75 HG22 HG22 ' B' ' 58' ' ' VAL . 98.6 t -65.58 -46.75 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.952 . . . . 1.3999999999999999 110.143 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -56.74 -60.86 2.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 2.1200000000000001 110.245 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' LEU . 97.6 m -51.83 -61.12 2.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.181 -0.949 . . . . 1.3500000000000001 110.173 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.1 mt -42.72 -46.96 5.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.268 -0.895 . . . . 0.80000000000000004 110.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.527 ' HA ' HG13 ' A' ' 65' ' ' ILE . 5.1 tm0? -57.49 -48.71 78.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 1.8500000000000001 110.472 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -35.28 28.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.125 -0.985 . . . . 1.75 110.211 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -72.46 -22.02 61.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 1.4299999999999999 110.176 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 HD22 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -83.56 -47.08 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.223 -0.923 . . . . 0.56000000000000005 109.597 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -44.92 82.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -0.887 . . . . 2.02 109.797 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -63.15 -55.66 23.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.339 -0.85 . . . . 1.6000000000000001 109.928 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' B' ' 69' ' ' LYS . 97.8 mt -60.26 -44.49 95.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.238 -0.913 . . . . 0.68000000000000005 110.324 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HA ' HD22 ' B' ' 68' ' ' LEU . 24.7 ttmt -48.89 -54.25 16.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.937 . . . . 2.2000000000000002 110.501 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.801 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -60.44 -40.29 90.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.201 -0.937 . . . . 3.0099999999999998 110.338 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.838 ' C ' HD12 ' A' ' 75' ' ' LEU . 40.3 mm-40 -50.55 -81.45 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.294 -0.879 . . . . 1.8899999999999999 110.537 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.515 ' HB3' ' HB3' ' B' ' 71' ' ' GLN . 0.8 OUTLIER -42.22 -26.78 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 0.95999999999999996 110.306 -179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -59.91 -64.49 0.93 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.022 . . . . 0.68999999999999995 109.606 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -77.55 -25.96 50.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 1.8400000000000001 109.545 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.882 HD22 ' HB3' ' B' ' 75' ' ' LEU . 0.3 OUTLIER -60.17 -47.8 84.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.372 -0.83 . . . . 0.54000000000000004 109.738 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 52.3 tt0 -72.66 -33.36 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 1.6499999999999999 109.875 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.55 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 1.6 mm-40 -58.83 -14.72 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.365 -0.834 . . . . 1.8799999999999999 109.975 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 2.5 tp60 -106.61 -36.7 6.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.862 -1.162 . . . . 1.5600000000000001 107.862 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -66.27 -17.87 23.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 108.754 -0.832 . . . . 0.72999999999999998 108.754 178.337 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -109.27 -25.16 10.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.468 -0.77 . . . . 2.8500000000000001 109.866 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 77' ' ' GLN . . . -101.53 17.18 23.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 1.23 110.087 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.957 HD13 ' O ' ' A' ' 82' ' ' LEU . 1.1 tm? -156.5 33.66 0.32 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.264 -0.897 . . . . 1.6799999999999999 110.162 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.84 -172.22 0.8 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.944 -1.098 . . . . 1.8999999999999999 110.217 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.32 -161.49 13.68 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.652 -1.379 . . . . 1.6399999999999999 109.652 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' CYS . 19.0 m -92.7 134.44 35.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.334 -1.098 . . . . 2.5800000000000001 110.209 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.459 ' HA2' HD22 ' B' ' 82' ' ' LEU . . . -44.54 99.61 0.02 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.577 -1.409 . . . . 1.7 109.577 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.287 -1.125 . . . . 2.1600000000000001 110.228 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.222 0.534 . . . . 2.9700000000000002 110.291 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.53 99.27 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 1.6200000000000001 110.013 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -101.0 -25.13 14.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.895 . . . . 2.8900000000000001 110.5 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' B' ' 4' ' ' LYS . 15.7 pttt -119.26 136.08 54.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.143 -0.973 . . . . 2.4100000000000001 110.358 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -151.43 71.69 1.01 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.301 -0.874 . . . . 2.3199999999999998 110.231 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.71 -155.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.247 -0.908 . . . . 1.5800000000000001 110.231 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -93.69 103.17 15.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.228 -0.92 . . . . 2.0499999999999998 110.288 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 42.46 77.69 0.06 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -0.862 . . . . 3.23 110.297 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.17 148.73 17.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.913 . . . . 2.0099999999999998 110.155 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.72 107.62 1.51 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.196 -0.94 . . . . 1.79 110.388 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.29 -18.09 6.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.23 -0.919 . . . . 2.1899999999999999 110.23 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -110.46 88.07 2.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.934 . . . . 3.1600000000000001 109.901 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.4 -32.36 48.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.206 -0.934 . . . . 4.1500000000000004 110.631 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.46 -143.67 0.3 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.224 -0.922 . . . . 4.6299999999999999 110.679 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 45.92 0.98 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.313 -0.867 . . . . 4.9199999999999999 110.201 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 0.1 OUTLIER -143.86 58.71 1.36 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 3.8500000000000001 110.325 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' B' ' 16' ' ' ARG . 3.8 t0 178.88 -30.27 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 5.5899999999999999 110.35 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -61.83 -65.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.369 -0.832 . . . . 4.2199999999999998 110.493 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.78 HG22 HD22 ' A' ' 44' ' ' LEU . 10.8 pt -51.25 -46.41 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 120.824 -1.172 . . . . 1.99 109.959 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.467 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 23.8 mtpt -41.14 -59.51 1.48 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.943 . . . . 2.8300000000000001 109.586 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' B' ' 20' ' ' LYS . 84.2 m-20 -44.75 -46.41 10.47 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.427 -0.953 . . . . 2.7200000000000002 108.427 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.532 ' CB ' ' HB3' ' A' ' 44' ' ' LEU . 1.2 t -70.69 -47.68 58.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.594 -0.691 . . . . 1.8200000000000001 109.301 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.969 ' CE1' HD21 ' A' ' 44' ' ' LEU . 4.9 m-30 -44.09 -67.44 0.28 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.739 -0.837 . . . . 1.6200000000000001 108.739 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' B' ' 23' ' ' PHE . 64.7 m80 -40.44 -54.29 2.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.63 -0.669 . . . . 2.4100000000000001 109.833 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.575 ' HB3' HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -61.75 -37.79 85.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.161 -0.962 . . . . 1.3600000000000001 109.391 179.146 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.816 ' HB3' HG21 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -69.6 -51.19 37.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 1.6299999999999999 109.575 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.55 -36.79 36.03 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.251 -0.905 . . . . 2.4500000000000002 108.562 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.6 65.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.66 -0.867 . . . . 1.76 108.66 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 26' ' ' LEU . 11.4 m -63.87 -62.74 1.45 Allowed 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.675 -0.861 . . . . 1.24 108.675 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' B' ' 33' ' ' LEU . 8.4 t -108.5 102.12 45.9 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 119.157 -1.017 . . . . 0.84999999999999998 109.789 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.543 ' O ' ' HB2' ' B' ' 32' ' ' SER . 40.1 Cg_endo -67.2 118.77 5.83 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.991 1.521 . . . . 1.77 110.722 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.543 ' HB2' ' O ' ' B' ' 31' ' ' PRO . 0.4 OUTLIER 68.67 -8.67 0.61 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 116.063 -0.517 . . . . 2.04 110.916 -179.222 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.695 ' HA ' HG12 ' B' ' 30' ' ' VAL . 1.2 mt 54.72 16.51 1.41 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 123.035 1.398 . . . . 1.4299999999999999 111.529 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' B' ' 33' ' ' LEU . 1.3 tp60 41.14 62.79 1.37 Allowed 'General case' 0 C--N 1.261 -3.28 0 CA-C-N 113.771 -1.559 . . . . 3.3399999999999999 109.402 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' B' ' 36' ' ' GLU . . . 112.07 22.16 6.02 Favored Glycine 0 N--CA 1.483 1.833 0 N-CA-C 108.864 -1.694 . . . . 2.0600000000000001 108.864 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.536 ' HB3' ' HB2' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -33.55 159.0 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.822 0.82 . . . . 2.8700000000000001 111.676 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' B' ' 36' ' ' GLU . 20.4 ptmt 171.92 -16.32 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 116.115 -0.493 . . . . 3.77 109.677 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' B' ' 45' ' ' ASP . . . -32.38 -93.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.641 -0.662 . . . . 2.2000000000000002 111.885 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 1.6 p 163.84 160.57 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.433 -0.792 . . . . 2.6400000000000001 111.026 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.562 ' HD3' ' N ' ' B' ' 41' ' ' ALA . 0.0 OUTLIER 41.72 -101.85 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.458 -0.776 . . . . 4.2199999999999998 111.001 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.885 ' HB1' ' CD1' ' B' ' 43' ' ' ILE . . . -78.91 -35.36 43.61 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.262 -1.524 . . . . 2.0 107.283 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.585 ' HA ' ' HB3' ' B' ' 38' ' ' ALA . 13.0 mt-30 74.94 -18.49 0.43 Allowed 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.36 -0.836 . . . . 2.48 111.707 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.885 ' CD1' ' HB1' ' B' ' 41' ' ' ALA . 0.2 OUTLIER -79.06 -20.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.697 -1.252 . . . . 2.3999999999999999 108.921 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.951 HD21 ' CE1' ' A' ' 23' ' ' PHE . 5.7 mp -68.9 -47.68 65.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.063 -1.023 . . . . 1.55 108.555 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.818 ' HB2' ' HB1' ' B' ' 38' ' ' ALA . 0.2 OUTLIER -51.81 -48.79 63.73 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.623 -0.881 . . . . 2.4900000000000002 108.623 178.587 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.66 ' HZ3' HD13 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -75.47 -40.55 57.23 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.39 -0.924 . . . . 2.1400000000000001 109.598 178.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.787 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -50.5 -47.68 57.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.387 -0.82 . . . . 0.70999999999999996 109.773 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -65.48 -44.2 87.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.432 -0.792 . . . . 2.02 110.003 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' B' ' 53' ' ' TYR . 37.6 mm-40 -62.09 -56.69 16.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.259 -0.901 . . . . 2.27 110.083 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' B' ' 54' ' ' MET . 2.7 m-30 -52.45 -64.68 0.74 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.121 -0.987 . . . . 2.3599999999999999 109.827 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.791 HD11 ' HA ' ' A' ' 47' ' ' ALA . 62.7 mt -41.92 -41.7 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.885 . . . . 1.3300000000000001 110.467 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' B' ' 48' ' ' THR . 2.9 tt0 -80.29 -73.07 0.38 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.054 -1.029 . . . . 2.4900000000000002 110.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -44.71 -46.27 10.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.304 -0.873 . . . . 1.48 109.971 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.485 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.3 OUTLIER -66.71 -55.27 15.85 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.95999999999999996 110.474 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' B' ' 51' ' ' ILE . 1.3 ttp180 -41.56 -71.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.294 -0.879 . . . . 2.5299999999999998 110.612 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -50.61 -28.85 9.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 3.1000000000000001 110.357 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' B' ' 54' ' ' MET . 0.1 OUTLIER -71.2 -39.11 71.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.176 -0.953 . . . . 1.52 110.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 58' ' ' VAL . 99.0 t -65.42 -46.73 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.85999999999999999 110.141 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -56.78 -60.6 3.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 1.96 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 61' ' ' LEU . 98.0 m -52.14 -61.02 2.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 0.83999999999999997 110.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.553 HD22 HD12 ' A' ' 65' ' ' ILE . 7.1 mt -42.71 -46.93 5.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -0.881 . . . . 1.0600000000000001 110.247 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.53 ' HA ' HG13 ' B' ' 65' ' ' ILE . 5.1 tm0? -57.45 -48.47 79.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 1.52 110.509 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -35.28 30.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 1.5 110.223 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.49 -21.94 61.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 1.3899999999999999 110.176 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' B' ' 62' ' ' GLN . 1.1 mt -83.58 -47.25 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 0.64000000000000001 109.676 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -44.99 81.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 1.77 109.8 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -63.2 -55.51 24.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.353 -0.842 . . . . 1.8799999999999999 109.933 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' B' ' 71' ' ' GLN . 97.2 mt -60.25 -44.59 95.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.91 . . . . 1.0700000000000001 110.248 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.518 ' HA ' HD22 ' A' ' 68' ' ' LEU . 24.6 ttmt -48.86 -54.34 15.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.188 -0.945 . . . . 2.25 110.486 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ARG . . . . . 0.797 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -60.32 -40.51 90.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 2.75 110.405 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.837 ' C ' HD12 ' B' ' 75' ' ' LEU . 40.7 mm-40 -50.21 -81.52 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 2.0 110.216 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -40.18 -29.2 0.07 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.328 -0.857 . . . . 0.69999999999999996 110.28 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -59.55 -64.72 0.84 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.919 . . . . 0.64000000000000001 109.73 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 71' ' ' GLN . 0.8 OUTLIER -77.39 -26.09 51.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 1.3 109.581 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.882 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -60.0 -47.97 83.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.422 -0.799 . . . . 0.52000000000000002 109.72 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.488 ' HA ' ' HB ' ' B' ' 79' ' ' VAL . 52.0 tt0 -72.52 -33.56 66.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.499 -0.75 . . . . 1.3500000000000001 109.842 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.555 ' O ' ' HB3' ' B' ' 81' ' ' ALA . 1.6 mm-40 -58.56 -14.93 9.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 2.1000000000000001 109.989 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.48 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 2.6 tp60 -106.51 -36.92 6.64 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.841 -1.17 . . . . 1.98 107.841 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.672 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -66.03 -17.98 23.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 108.779 -0.823 . . . . 0.77000000000000002 108.779 178.292 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -109.28 -24.96 10.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.468 -0.77 . . . . 2.75 109.855 179.528 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' B' ' 77' ' ' GLN . . . -101.61 17.17 23.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.269 -0.894 . . . . 1.1499999999999999 110.147 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.958 HD13 ' O ' ' B' ' 82' ' ' LEU . 1.1 tm? -156.63 33.71 0.31 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.272 -0.892 . . . . 1.0800000000000001 110.105 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.86 -172.43 0.83 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.925 -1.11 . . . . 2.2599999999999998 110.225 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.6 -161.45 13.6 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.616 -1.393 . . . . 1.76 109.616 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.434 ' O ' ' N ' ' B' ' 87' ' ' CYS . 18.8 m -92.79 134.29 35.21 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.261 -1.141 . . . . 3.1099999999999999 110.174 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' B' ' 85' ' ' SER . . . -44.46 99.63 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.564 -1.415 . . . . 2.1600000000000001 109.564 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' B' ' 85' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.172 -1.193 . . . . 3.46 110.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.632 HD12 ' CZ ' ' B' ' 23' ' ' PHE . 1.2 mm . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 108.699 -0.852 . . . . 1.72 108.699 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -27.94 -42.68 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.22 0.533 . . . . 4.71 110.609 179.06 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' ILE . 3.5 t70 -57.38 -67.16 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 118.985 -1.086 . . . . 2.76 108.207 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' PHE . 74.0 p -54.72 -41.55 70.48 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.166 -1.049 . . . . 1.64 108.166 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.669 ' CZ ' HD12 ' B' ' 19' ' ' ILE . 0.9 OUTLIER -44.48 -59.9 2.22 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.585 -0.894 . . . . 1.93 108.585 178.223 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 23' ' ' PHE . 19.3 m170 -41.13 -51.66 3.39 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.811 -0.811 . . . . 2.31 108.811 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -44.19 73.12 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.351 -0.981 . . . . 1.74 108.351 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.874 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.18 -38.16 87.38 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.543 -0.723 . . . . 1.74 109.218 178.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' PHE . 2.8 ttt180 -43.63 -40.58 4.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.865 . . . . 2.26 109.276 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -23.88 39.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 2.29 109.504 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.581 ' HB2' ' HA ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -48.42 -56.43 8.23 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.913 -1.143 . . . . 1.44 107.913 178.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 46' ' ' LYS . 13.4 t . . . . . 0 C--N 1.31 -1.115 0 N-CA-C 108.305 -0.998 . . . . 1.3 108.305 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.531 ' HG3' HG13 ' A' ' 43' ' ' ILE . 4.3 pt20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.922 0.391 . . . . 2.84 110.666 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.874 HG21 ' HB3' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.41 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.513 -1.275 . . . . 2.95 108.136 178.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.682 HD13 ' CE1' ' B' ' 23' ' ' PHE . 23.0 mt -70.05 -43.3 71.52 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.874 -0.787 . . . . 1.43 108.874 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.438 -0.949 . . . . 2.29 108.438 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HB3' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -80.04 -39.01 30.72 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.642 -0.823 . . . . 2.66 109.569 178.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.896 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -54.66 -40.8 69.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.141 -0.975 . . . . 0.73 109.452 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 2.7 m -70.85 -40.03 72.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.351 -0.843 . . . . 1.76 110.002 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -68.29 -35.75 78.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.136 -0.978 . . . . 2.26 109.647 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' O ' ' CB ' ' A' ' 54' ' ' MET . 2.9 m-85 -65.02 -71.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 2.26 110.136 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.906 HD11 ' HA ' ' B' ' 47' ' ' ALA . 48.3 mt -40.29 -37.72 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.384 -0.823 . . . . 0.88 110.506 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 48' ' ' THR . 43.6 mm-40 -77.53 -74.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 2.44 110.131 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -55.06 -54.61 40.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 1.73 109.605 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.569 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.8 ttt -45.38 -46.79 13.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.115 -0.991 . . . . 1.4 109.607 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 1.3 tmm_? -63.13 -45.46 91.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.331 -0.856 . . . . 2.6 109.578 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -45.69 68.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.357 -0.84 . . . . 2.46 109.715 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -56.62 -52.86 63.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.358 -0.839 . . . . 2.36 109.903 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -47.46 -58.31 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.298 -0.876 . . . . 1.4 109.977 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -47.09 -64.4 0.79 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.216 -0.927 . . . . 2.12 110.044 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -57.68 -37.76 73.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.173 -0.954 . . . . 1.35 109.94 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.0 mt -59.27 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 0.8 109.838 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -42.72 -26.82 0.14 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.85 110.127 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -59.54 -45.11 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 1.75 109.57 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.767 ' O ' HD12 ' A' ' 68' ' ' LEU . 13.2 p30 -76.53 -17.75 59.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 1.43 109.839 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.757 HD11 HD11 ' B' ' 65' ' ' ILE . 2.3 mt -80.71 -42.24 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.56 108.722 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -38.51 90.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.455 -0.778 . . . . 2.02 109.121 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -46.22 58.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.502 -0.749 . . . . 1.6 109.274 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 64' ' ' ASP . 33.9 mt -64.46 -37.2 86.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.826 . . . . 0.68 109.339 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 1.5 tppp? -58.5 -44.11 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.47 -0.769 . . . . 2.2 109.804 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -67.4 -36.23 80.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.848 . . . . 3.01 109.762 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.745 ' C ' HD12 ' A' ' 75' ' ' LEU . 90.9 mt-30 -58.24 -86.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.337 -0.852 . . . . 1.89 109.998 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.538 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -40.58 -27.16 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.96 110.388 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 69' ' ' LYS . . . -65.61 -54.62 25.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.109 -0.994 . . . . 0.69 109.128 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 4.5 mp -82.57 -24.82 33.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.919 -0.771 . . . . 1.84 108.919 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.833 ' HB3' HD22 ' B' ' 75' ' ' LEU . 0.2 OUTLIER -64.97 -52.9 53.71 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.542 -0.724 . . . . 0.54 109.457 179.279 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' CD2' ' B' ' 75' ' ' LEU . 4.6 tt0 -68.18 -29.22 68.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.463 -0.773 . . . . 1.65 109.772 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 1.1 tp-100 -66.33 -11.56 51.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.345 -0.847 . . . . 1.88 109.728 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 -38.54 6.08 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.716 -1.216 . . . . 1.56 107.716 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.707 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.61 0 N-CA-C 108.582 -0.895 . . . . 0.73 108.582 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.669 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 1.2 mm . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 108.726 -0.842 . . . . 1.99 108.726 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.602 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -27.96 -42.92 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-O 121.214 0.531 . . . . 2.83 110.564 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 19' ' ' ILE . 3.5 t70 -57.05 -67.17 0.34 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.053 -1.059 . . . . 2.72 108.233 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.428 ' O ' ' C ' ' B' ' 23' ' ' PHE . 65.8 p -54.88 -41.38 70.81 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.203 -1.036 . . . . 1.82 108.203 177.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.682 ' CE1' HD13 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -44.67 -59.84 2.29 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.475 -0.935 . . . . 1.62 108.475 178.242 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' B' ' 23' ' ' PHE . 19.4 m170 -41.11 -51.75 3.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.814 -0.81 . . . . 2.41 108.814 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -44.16 72.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.418 -0.956 . . . . 1.36 108.418 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.853 ' HB3' HG21 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -66.26 -38.25 87.4 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.486 -0.758 . . . . 1.63 109.193 178.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' B' ' 26' ' ' LEU . 2.8 ttt180 -43.46 -40.62 3.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.819 . . . . 2.45 109.281 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -80.92 -23.88 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.759 . . . . 1.76 109.637 179.107 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.559 ' HB2' ' HA ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -48.33 -56.18 8.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.931 -1.137 . . . . 1.24 107.931 178.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' B' ' 46' ' ' LYS . 12.5 t . . . . . 0 C--N 1.303 -1.437 0 N-CA-C 108.358 -0.978 . . . . 0.85 108.358 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . 0.543 ' HG3' HG13 ' B' ' 43' ' ' ILE . 4.3 pt20 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.99 0.424 . . . . 2.48 110.705 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.853 HG21 ' HB3' ' B' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.42 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 2.4 108.162 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.668 HD13 ' CE1' ' A' ' 23' ' ' PHE . 23.3 mt -70.16 -43.15 71.46 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 1.55 108.863 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -53.18 -47.28 68.97 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.353 -0.98 . . . . 2.49 108.353 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -80.02 -39.05 30.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.668 -0.813 . . . . 2.14 109.623 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.906 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -55.05 -40.49 70.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.71 109.557 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 2.8 m -70.73 -40.06 72.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 2.02 109.812 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 46' ' ' LYS . 0.2 OUTLIER -68.39 -35.63 77.97 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.184 -0.947 . . . . 2.27 109.667 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' MET . 3.0 m-85 -65.05 -71.54 0.18 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.311 -0.868 . . . . 2.36 110.137 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.896 HD11 ' HA ' ' A' ' 47' ' ' ALA . 49.8 mt -40.27 -37.82 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.361 -0.837 . . . . 1.33 110.421 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 48' ' ' THR . 43.6 mm-40 -77.48 -74.97 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.213 -0.929 . . . . 2.49 110.106 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.571 ' CD2' ' N ' ' B' ' 54' ' ' MET . 0.0 OUTLIER -55.01 -54.65 40.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 1.48 109.601 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.571 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.8 ttt -45.34 -46.75 13.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.116 -0.99 . . . . 0.96 109.596 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 1.2 tmm_? -63.18 -45.31 92.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 2.53 109.545 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -45.77 69.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.342 -0.849 . . . . 3.1 109.691 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -56.59 -52.87 63.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -0.822 . . . . 1.52 109.9 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 66.9 t -47.46 -58.21 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.256 -0.903 . . . . 0.86 110.015 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.43 ' O ' ' NE2' ' B' ' 63' ' ' GLN . 0.8 OUTLIER -47.25 -64.26 0.83 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.151 -0.968 . . . . 1.96 110.026 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -57.74 -37.83 74.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.84 109.869 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.491 ' O ' HG13 ' B' ' 65' ' ' ILE . 8.0 mt -59.13 -78.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.343 -0.848 . . . . 1.06 109.849 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.555 ' HA ' ' CG1' ' B' ' 65' ' ' ILE . 0.7 OUTLIER -42.45 -26.99 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.52 110.062 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' B' ' 59' ' ' HIS . 0.0 OUTLIER -59.49 -45.07 92.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.5 109.643 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.752 ' O ' HD12 ' B' ' 68' ' ' LEU . 12.9 p30 -76.53 -17.78 59.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 1.39 109.828 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 65' ' ' ILE . 1.9 mt -80.71 -42.25 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.232 -0.917 . . . . 0.64 108.746 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.65 91.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.472 -0.768 . . . . 1.77 109.012 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -46.24 58.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.525 -0.734 . . . . 1.88 109.327 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.752 HD12 ' O ' ' B' ' 64' ' ' ASP . 35.1 mt -64.54 -37.11 86.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.331 -0.856 . . . . 1.07 109.338 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 73' ' ' ALA . 1.5 tppp? -58.49 -44.23 89.3 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.383 -0.823 . . . . 2.25 109.753 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -67.4 -36.25 80.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.309 -0.87 . . . . 2.75 109.836 179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.74 ' C ' HD12 ' B' ' 75' ' ' LEU . 91.2 mt-30 -58.23 -86.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 2.0 109.924 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' B' ' 69' ' ' LYS . 0.5 OUTLIER -39.93 -27.83 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.485 -0.76 . . . . 0.7 110.426 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' B' ' 69' ' ' LYS . . . -65.5 -54.67 24.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.108 -0.995 . . . . 0.64 109.207 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' B' ' 74' ' ' LEU . 4.4 mp -82.57 -24.8 33.8 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.935 -0.765 . . . . 1.3 108.935 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.833 HD22 ' HB3' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -64.88 -52.96 53.71 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.473 0.654 . . . . 0.52 109.493 179.231 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.481 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 4.6 tt0 -68.11 -29.18 68.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.443 -0.786 . . . . 1.35 109.751 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 1.1 tp-100 -66.37 -11.52 51.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.324 -0.86 . . . . 2.1 109.727 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.72 -38.51 6.09 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.762 -1.199 . . . . 1.98 107.762 178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.607 0 N-CA-C 108.558 -0.905 . . . . 0.77 108.558 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.998 HG22 HD22 ' B' ' 44' ' ' LEU . 4.4 pt . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 110.7 -0.111 . . . . 1.72 110.7 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 19' ' ' ILE . 1.8 mttm -36.05 -64.72 0.3 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.366 -0.834 . . . . 4.71 109.96 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' LYS . 1.4 t0 -46.41 -45.29 17.84 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 2.76 107.886 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -63.14 -49.44 74.33 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.763 -0.828 . . . . 1.64 108.763 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 1.077 ' CE1' HD21 ' B' ' 44' ' ' LEU . 9.7 m-30 -48.58 -63.23 1.15 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.352 -0.843 . . . . 1.93 109.002 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -42.64 -52.36 4.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.441 -0.787 . . . . 2.31 109.6 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -29.68 68.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.372 -0.83 . . . . 1.74 109.178 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.731 HD23 HG21 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -71.52 -45.6 61.95 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.664 -0.648 . . . . 1.74 109.63 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.544 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.08 -27.03 63.28 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.139 -1.059 . . . . 2.26 108.139 178.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 34.5 t0 -71.86 -25.6 62.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.765 -0.584 . . . . 2.29 109.658 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -71.0 -36.0 72.29 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.147 -0.97 . . . . 1.44 108.612 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 30' ' ' VAL 0.285 8.2 t . . . . . 0 C--N 1.312 -1.058 0 N-CA-C 108.398 -0.964 . . . . 1.3 108.398 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 112.085 0.402 . . . . 2.84 112.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.78 HG22 ' HB2' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -72.73 -49.15 42.44 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.539 0 O-C-N 120.173 -1.579 . . . . 2.95 109.765 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.059 HD21 ' CE1' ' B' ' 23' ' ' PHE . 10.7 mp -35.82 -43.43 0.3 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.035 -1.041 . . . . 1.43 109.698 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 49' ' ' GLU . 2.1 t0 -62.24 -51.31 68.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.611 -0.885 . . . . 2.29 108.611 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.542 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 36.0 mmtt -81.16 -52.01 7.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.266 -0.896 . . . . 2.66 110.127 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.941 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -31.01 -56.57 0.23 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.194 0.521 . . . . 0.73 110.901 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.544 ' OG1' ' HA ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -79.98 -52.78 7.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.932 -1.105 . . . . 1.76 110.879 -179.481 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.543 ' N ' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -45.3 -29.79 1.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.86 -1.136 . . . . 2.26 108.833 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' MET . 3.3 m-85 -72.79 -47.91 42.61 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.042 -0.725 . . . . 2.26 109.042 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 ' HA ' ' B' ' 47' ' ' ALA . 69.1 mt -56.2 -68.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.447 -0.783 . . . . 0.88 109.972 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ILE . 53.4 mt-30 -42.03 -59.45 1.74 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.447 -0.783 . . . . 2.44 110.095 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CD2' ' N ' ' A' ' 54' ' ' MET . 28.5 t80 -56.57 -71.05 0.1 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.889 . . . . 1.73 110.136 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.493 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.6 mtt -46.93 -57.63 4.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 1.4 110.308 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 4.2 tmt_? -43.07 -62.43 1.04 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 2.6 110.033 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -51.85 -32.58 32.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 2.46 109.781 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.33 -0.856 . . . . 2.36 110.009 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' B' ' 58' ' ' VAL . 65.2 t -44.51 -46.14 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.27 -0.894 . . . . 1.4 110.061 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -55.42 33.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.258 -0.901 . . . . 2.12 110.056 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 6.9 p -63.15 -42.44 99.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.319 -0.863 . . . . 1.35 110.178 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 65' ' ' ILE . 43.7 mt -61.17 -61.08 2.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 0.8 110.18 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.498 ' HA ' HG13 ' A' ' 65' ' ' ILE . 1.1 mt-30 -42.36 -63.12 0.81 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.836 . . . . 1.85 110.391 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' GLN . 72.0 mm-40 -43.4 -36.16 1.84 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.163 -0.961 . . . . 1.75 110.17 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' THR . 12.9 m-20 -73.56 -22.36 60.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 1.43 110.175 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -86.4 -36.58 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.56 109.482 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.89 -48.93 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 2.02 109.838 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' OE1' ' A' ' 71' ' ' GLN . 22.9 m-20 -65.06 -48.07 75.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 1.6 109.741 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.514 HD22 ' ND2' ' B' ' 72' ' ' ASN . 17.6 mt -62.1 -39.89 94.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.329 -0.857 . . . . 0.68 109.97 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -61.02 -47.92 84.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 2.2 110.114 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.593 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -62.65 -35.08 78.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.275 -0.891 . . . . 3.01 110.027 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.819 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.07 -80.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.341 -0.849 . . . . 1.89 110.221 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.599 ' HB2' ' HB3' ' B' ' 71' ' ' GLN . 0.1 OUTLIER -39.22 -27.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.96 110.222 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -62.89 -66.59 0.52 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 0.69 108.925 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD23 ' HD3' ' A' ' 70' ' ' ARG . 1.8 pp -72.39 -23.63 61.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.83 . . . . 1.84 109.083 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.897 ' HB3' HD22 ' B' ' 75' ' ' LEU . 0.3 OUTLIER -65.43 -46.91 78.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.413 -0.804 . . . . 0.54 109.544 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 72' ' ' ASN . 5.0 tt0 -70.43 -33.91 71.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.391 -0.818 . . . . 1.65 109.892 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -63.84 -11.38 26.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.914 . . . . 1.88 109.703 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.502 ' HB3' HG22 ' B' ' 79' ' ' VAL . 2.7 tp-100 -109.94 -41.09 4.57 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.064 -1.087 . . . . 1.56 108.064 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.886 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.3 -1.574 0 N-CA-C 108.81 -0.811 . . . . 0.73 108.81 178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 1.033 HG22 HD22 ' A' ' 44' ' ' LEU . 4.8 pt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 110.741 -0.096 . . . . 1.99 110.741 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' B' ' 19' ' ' ILE . 1.8 mttm -36.0 -64.78 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.418 -0.801 . . . . 2.83 110.023 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' B' ' 20' ' ' LYS . 1.4 t0 -46.38 -45.25 17.7 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.941 -1.133 . . . . 2.72 107.941 178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.539 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.5 OUTLIER -63.18 -49.36 74.57 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.746 -0.835 . . . . 1.82 108.746 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 1.059 ' CE1' HD21 ' A' ' 44' ' ' LEU . 9.7 m-30 -48.68 -63.17 1.17 Allowed 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.281 -0.887 . . . . 1.62 109.047 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' B' ' 23' ' ' PHE . 0.6 OUTLIER -42.63 -52.37 4.87 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.777 -0.769 . . . . 2.41 109.636 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -29.61 68.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 1.36 109.14 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.722 HD23 HG21 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -71.48 -45.76 61.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.657 -0.652 . . . . 1.63 109.65 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.543 ' N ' HG12 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -57.96 -26.92 62.92 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.127 -1.064 . . . . 2.45 108.127 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' B' ' 27' ' ' ARG . 34.2 t0 -71.97 -26.21 62.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.785 -0.572 . . . . 1.76 109.781 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -70.8 -34.98 72.3 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.24 108.51 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.594 ' O ' HG12 ' B' ' 30' ' ' VAL . 12.6 t . . . . . 0 C--N 1.299 -1.621 0 N-CA-C 109.073 -0.714 . . . . 0.85 109.073 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 112.012 0.375 . . . . 2.48 112.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.802 HG22 ' HB2' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -72.77 -49.38 40.68 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 120.202 -1.561 . . . . 2.4 109.79 -179.283 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 1.077 HD21 ' CE1' ' A' ' 23' ' ' PHE . 10.1 mp -35.52 -43.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.116 -0.99 . . . . 1.55 109.725 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 2.0 t0 -62.19 -51.38 68.06 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.704 -0.85 . . . . 2.49 108.704 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.543 ' HA ' ' CG ' ' B' ' 49' ' ' GLU . 36.0 mmtt -81.09 -52.15 7.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.307 -0.871 . . . . 2.14 110.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 1.021 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -31.81 -55.67 0.29 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.81 -0.556 . . . . 0.71 111.36 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.549 HG22 ' N ' ' B' ' 49' ' ' GLU . 0.6 OUTLIER -79.88 -52.99 7.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.986 -1.071 . . . . 2.02 110.496 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.549 ' N ' HG22 ' B' ' 48' ' ' THR . 0.2 OUTLIER -45.33 -29.73 1.11 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.807 -1.183 . . . . 2.27 108.82 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' B' ' 54' ' ' MET . 3.3 m-85 -72.84 -47.93 42.09 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.028 -0.73 . . . . 2.36 109.028 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.941 HD11 ' HA ' ' A' ' 47' ' ' ALA . 69.0 mt -56.15 -68.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 1.33 109.951 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' ILE . 53.3 mt-30 -42.06 -59.43 1.75 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.414 -0.804 . . . . 2.49 110.095 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' N ' ' B' ' 54' ' ' MET . 28.4 t80 -56.63 -71.02 0.1 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.344 -0.848 . . . . 1.48 110.133 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.498 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.6 mtt -46.91 -57.65 4.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.191 -0.943 . . . . 0.96 110.33 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 4.2 tmt_? -43.04 -62.41 1.04 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 2.53 110.06 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm-85 -51.9 -32.48 32.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.927 . . . . 3.1 109.861 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 1.52 110.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 58' ' ' VAL . 66.2 t -44.68 -46.08 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 0.86 110.034 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -55.35 34.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.861 . . . . 1.96 110.058 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 64' ' ' ASP . 6.9 p -63.16 -42.49 99.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 0.84 110.143 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.513 ' O ' HG13 ' B' ' 65' ' ' ILE . 44.1 mt -61.16 -61.12 2.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.872 . . . . 1.06 110.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.509 ' CA ' HG13 ' B' ' 65' ' ' ILE . 1.1 mt-30 -42.25 -63.18 0.79 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 1.52 110.383 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' B' ' 62' ' ' GLN . 72.6 mm-40 -43.41 -36.13 1.83 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.167 -0.958 . . . . 1.5 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' B' ' 60' ' ' THR . 12.8 m-20 -73.57 -22.43 60.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.276 -0.89 . . . . 1.39 110.15 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 61' ' ' LEU . 0.8 OUTLIER -86.37 -36.47 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.301 -0.875 . . . . 0.64 109.517 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.0 -48.86 72.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 1.77 109.803 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.432 ' O ' ' OE1' ' B' ' 71' ' ' GLN . 23.0 m-20 -65.1 -48.09 74.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 1.88 109.781 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' B' ' 68' ' ' LEU . 17.6 mt -62.01 -39.91 93.89 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 1.07 109.984 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.514 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 1.1 tppp? -61.08 -48.0 83.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.25 110.036 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . 0.588 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -62.65 -35.08 78.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.231 -0.918 . . . . 2.75 110.053 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.803 ' C ' HD12 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -61.18 -79.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.313 -0.867 . . . . 2.0 110.242 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.53 ' HA ' ' HB2' ' B' ' 75' ' ' LEU . 5.6 p30 -39.46 -27.58 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.273 -0.892 . . . . 0.7 110.251 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -62.88 -66.66 0.51 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 0.64 108.955 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.544 HD23 ' HD3' ' B' ' 70' ' ' ARG . 1.8 pp -72.28 -23.66 61.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.3 109.092 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.897 HD22 ' HB3' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -65.42 -46.99 77.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.434 -0.791 . . . . 0.52 109.524 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 72' ' ' ASN . 4.9 tt0 -70.36 -33.98 72.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.373 -0.83 . . . . 1.35 109.838 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -63.74 -11.45 26.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.1 109.708 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.485 ' HB3' HG22 ' A' ' 79' ' ' VAL . 2.7 tp-100 -109.96 -40.96 4.6 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.068 -1.086 . . . . 1.98 108.068 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.886 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.3 -1.568 0 N-CA-C 108.778 -0.823 . . . . 0.77 108.778 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.662 HD12 ' CZ ' ' B' ' 23' ' ' PHE . 1.9 mm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.868 -0.419 . . . . 1.72 109.868 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 2.2 mtmm -28.93 -40.69 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.243 0.545 . . . . 4.71 111.082 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -57.49 -62.96 1.41 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.82 -1.175 . . . . 2.76 108.205 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.479 ' O ' ' HB2' ' A' ' 25' ' ' SER . 0.6 OUTLIER -55.64 -44.44 77.14 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.078 -1.082 . . . . 1.64 108.078 178.169 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CZ ' HD12 ' B' ' 19' ' ' ILE . 2.8 m-30 -45.05 -60.99 1.81 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.56 -0.904 . . . . 1.93 108.56 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 54.6 t-80 -40.61 -37.13 0.68 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.429 0.633 . . . . 2.31 109.639 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -62.87 -41.21 99.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 1.74 110.282 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.646 ' CD1' ' HB3' ' B' ' 44' ' ' LEU . 1.9 mp -75.44 -41.25 56.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.037 -1.04 . . . . 1.74 109.76 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -45.99 15.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.538 -0.726 . . . . 2.26 109.848 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -95.93 15.19 21.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 2.29 109.43 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.548 ' CB ' ' HA ' ' A' ' 26' ' ' LEU . 22.8 t -90.91 -52.94 4.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.565 -0.709 . . . . 1.44 109.677 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.777 ' CG2' HG21 ' B' ' 51' ' ' ILE . 88.6 t . . . . . 0 C--N 1.312 -1.061 0 O-C-N 120.925 -1.11 . . . . 1.3 109.946 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' HA ' ' HB2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.132 0.492 . . . . 2.84 109.946 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 4.9 mt -63.83 -28.28 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.576 -1.268 . . . . 2.95 107.576 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.898 HD21 HD21 ' B' ' 44' ' ' LEU . 1.3 mp -86.93 -45.08 11.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.535 -0.757 . . . . 1.43 110.191 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -43.18 -47.38 6.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 2.29 108.998 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 47' ' ' ALA . 8.0 mmtp -78.4 -56.41 4.47 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.686 -0.857 . . . . 2.66 108.686 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 44' ' ' LEU . . . -35.72 -45.69 0.39 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 0.73 110.487 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.631 HG23 ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -70.78 -50.96 30.22 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 1.76 110.561 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 78.6 mt-10 -51.5 -29.79 17.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -0.833 . . . . 2.26 110.107 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CE1' HG11 ' A' ' 30' ' ' VAL . 6.0 m-85 -75.22 -44.32 46.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.851 . . . . 2.26 110.582 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.842 HG21 ' CG2' ' B' ' 30' ' ' VAL . 78.2 mt -62.44 -75.29 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 0.88 110.543 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ILE . 7.0 pt20 -43.9 -34.48 1.66 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 2.44 110.241 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 8.0 t80 -70.69 -46.01 63.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 1.73 110.054 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.718 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -67.74 -53.18 29.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 1.4 110.249 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.39 -43.91 16.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.095 -1.003 . . . . 2.6 109.959 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -55.4 10.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.231 -0.918 . . . . 2.46 110.139 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.713 ' HG2' HD12 ' A' ' 61' ' ' LEU . 7.5 tttt -58.92 -44.97 91.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.922 . . . . 2.36 110.04 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 54' ' ' MET . 99.4 t -54.08 -51.98 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -0.907 . . . . 1.4 109.977 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.88 -51.48 60.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 2.12 109.875 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 p -62.58 -49.81 73.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.297 -0.877 . . . . 1.35 109.889 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.713 HD12 ' HG2' ' A' ' 57' ' ' LYS . 7.8 mt -55.99 -59.92 4.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.8 109.83 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 65' ' ' ILE . 45.7 tp60 -43.97 -58.15 2.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 1.85 109.963 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -45.64 -33.06 2.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 1.75 109.721 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -22.17 56.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.831 . . . . 1.43 109.821 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.605 HD11 HD11 ' B' ' 65' ' ' ILE . 2.5 mt -80.83 -48.24 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 0.56 109.35 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.38 -40.55 96.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 2.02 109.532 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.05 -52.58 64.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.32 -0.863 . . . . 1.6 109.663 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.547 HD22 ' ND2' ' B' ' 72' ' ' ASN . 45.6 mt -60.71 -43.6 97.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.68 109.65 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -50.8 14.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 2.2 109.806 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.506 ' O ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.08 -38.78 83.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.414 -0.803 . . . . 3.01 110.305 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.842 ' O ' HD12 ' A' ' 75' ' ' LEU . 13.9 mm100 -56.7 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.153 -0.967 . . . . 1.89 110.626 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 71' ' ' GLN . 1.3 t-20 -36.21 -31.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 0.96 110.763 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -75.06 -37.15 61.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 0.69 110.265 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' GLN . 6.3 mp -80.12 -38.88 30.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.84 110.958 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 71' ' ' GLN . 4.3 mp -63.26 -41.93 99.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.845 -1.159 . . . . 0.54 109.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' B' ' 75' ' ' LEU . 9.1 tt0 -66.8 -38.42 86.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.65 110.111 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 69.5 tp60 -70.49 -2.56 14.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 1.88 110.245 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -103.0 -47.44 4.36 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.679 -1.23 . . . . 1.56 107.679 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.832 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.605 0 N-CA-C 108.735 -0.839 . . . . 0.73 108.735 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.726 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 1.9 mm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.876 -0.416 . . . . 1.99 109.876 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.591 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 2.2 mtmm -28.59 -40.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 121.253 0.549 . . . . 2.83 111.1 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -57.47 -63.09 1.35 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.831 -1.168 . . . . 2.72 108.234 178.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' B' ' 25' ' ' SER . 0.6 OUTLIER -55.62 -44.25 76.9 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.155 -1.054 . . . . 1.82 108.155 178.052 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.824 ' CD1' HD22 ' A' ' 44' ' ' LEU . 2.7 m-30 -45.19 -60.92 1.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.584 -0.895 . . . . 1.62 108.584 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' PHE . 54.6 t-80 -40.72 -37.06 0.69 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.359 0.6 . . . . 2.41 109.679 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' B' ' 29' ' ' SER . 0.1 OUTLIER -62.85 -41.34 99.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.448 -0.783 . . . . 1.36 110.228 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.631 ' HG ' HG23 ' A' ' 48' ' ' THR . 1.8 mp -75.3 -41.39 57.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.081 -1.012 . . . . 1.63 109.7 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.95 -45.86 15.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.45 109.871 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -96.13 15.24 21.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 1.76 109.415 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.537 ' CB ' ' HA ' ' B' ' 26' ' ' LEU . 30.4 t -91.08 -52.0 5.05 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.442 -0.786 . . . . 1.24 109.81 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.842 ' CG2' HG21 ' A' ' 51' ' ' ILE . 91.6 t . . . . . 0 C--N 1.303 -1.449 0 O-C-N 121.144 -0.972 . . . . 0.85 110.197 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . 0.446 ' HA ' ' HB2' ' B' ' 45' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.096 0.474 . . . . 2.48 110.006 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.487 HG22 ' HB3' ' B' ' 26' ' ' LEU . 4.3 mt -63.77 -28.3 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 107.594 -1.261 . . . . 2.4 107.594 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.898 HD21 HD21 ' A' ' 44' ' ' LEU . 1.2 mp -86.96 -44.94 11.24 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.579 -0.737 . . . . 1.55 110.192 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.446 ' HB2' ' HA ' ' B' ' 42' ' ' GLN . 0.4 OUTLIER -43.24 -47.53 6.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.397 -0.814 . . . . 2.49 109.012 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' B' ' 47' ' ' ALA . 7.9 mmtp -78.3 -56.05 4.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.819 -0.808 . . . . 2.14 108.819 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' B' ' 44' ' ' LEU . . . -36.99 -44.63 0.52 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.545 -0.722 . . . . 0.71 110.729 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.527 HG23 ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -70.99 -50.77 30.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.172 -0.955 . . . . 2.02 110.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' B' ' 53' ' ' TYR . 77.5 mt-10 -51.53 -29.78 18.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.27 110.085 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.598 ' CE1' HG11 ' B' ' 30' ' ' VAL . 5.9 m-85 -75.16 -44.4 46.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 2.36 110.587 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.777 HG21 ' CG2' ' A' ' 30' ' ' VAL . 77.8 mt -62.36 -75.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.096 -1.002 . . . . 1.33 110.549 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' B' ' 51' ' ' ILE . 7.1 pt20 -43.9 -34.47 1.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 2.49 110.224 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.512 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 7.7 t80 -70.72 -46.03 63.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 1.48 110.013 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.71 ' O ' HG23 ' B' ' 58' ' ' VAL . 0.5 OUTLIER -67.75 -53.14 29.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.313 -0.867 . . . . 0.96 110.249 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.48 -43.82 17.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.14 -0.975 . . . . 2.53 109.95 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -55.36 10.78 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 3.1 110.12 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.719 ' HG2' HD12 ' B' ' 61' ' ' LEU . 7.9 tttt -58.85 -45.02 91.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -0.903 . . . . 1.52 110.028 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 54' ' ' MET . 99.2 t -54.16 -51.86 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.86 109.968 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.96 -51.46 61.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 1.96 109.841 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 57' ' ' LYS . 3.3 p -62.56 -49.77 73.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.353 -0.842 . . . . 0.84 109.945 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.719 HD12 ' HG2' ' B' ' 57' ' ' LYS . 7.8 mt -56.12 -59.85 4.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 1.06 109.795 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' B' ' 65' ' ' ILE . 47.5 tp60 -43.75 -58.41 2.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 1.52 109.895 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.58 -32.95 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 1.5 109.765 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -22.02 55.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.341 -0.849 . . . . 1.39 109.794 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.605 HD11 HD11 ' A' ' 65' ' ' ILE . 2.4 mt -81.07 -48.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.417 -0.802 . . . . 0.64 109.337 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.37 -40.53 96.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.344 -0.848 . . . . 1.77 109.515 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.02 -52.82 63.75 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 1.88 109.594 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.505 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 45.6 mt -60.55 -43.55 97.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.91 . . . . 1.07 109.696 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.459 ' O ' ' OD1' ' B' ' 72' ' ' ASN . 0.0 OUTLIER -45.98 -50.84 14.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 2.25 109.857 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . 0.497 ' O ' HD13 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.16 -38.62 83.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.413 -0.804 . . . . 2.75 110.353 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.846 ' O ' HD12 ' B' ' 75' ' ' LEU . 13.9 mm100 -56.86 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.146 -0.971 . . . . 2.0 110.691 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.547 ' ND2' HD22 ' A' ' 68' ' ' LEU . 2.6 p30 -37.67 -29.99 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.394 -0.816 . . . . 0.7 110.793 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -75.39 -37.17 60.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 0.64 110.087 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 71' ' ' GLN . 6.2 mp -80.21 -38.83 30.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 1.3 110.913 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.846 HD12 ' O ' ' B' ' 71' ' ' GLN . 4.5 mp -63.39 -41.82 98.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.786 -1.196 . . . . 0.52 109.796 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 9.4 tt0 -66.82 -38.21 86.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 1.35 110.12 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' B' ' 77' ' ' GLN . 69.4 tp60 -70.73 -2.45 14.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.284 -0.885 . . . . 2.1 110.202 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -103.07 -47.45 4.34 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.721 -1.215 . . . . 1.98 107.721 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.298 -1.648 0 N-CA-C 108.646 -0.872 . . . . 0.77 108.646 177.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.564 HD12 HD12 ' B' ' 19' ' ' ILE . 3.3 pt . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 109.694 -0.484 . . . . 1.72 109.694 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -27.77 -52.88 0.08 Allowed 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.546 -0.721 . . . . 4.71 110.311 179.019 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.3 m-20 -55.18 -60.28 3.6 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.827 -1.175 . . . . 2.76 107.827 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ILE . 1.5 t -57.06 -47.02 81.99 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.159 -1.052 . . . . 1.64 108.159 177.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.552 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . 1.2 m-85 -43.99 -56.64 3.82 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.646 -0.872 . . . . 1.93 108.646 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 21' ' ' ASP . 3.9 t-80 -42.61 -47.48 5.24 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.694 -0.802 . . . . 2.31 108.901 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.734 ' HB3' HG21 ' B' ' 48' ' ' THR . 0.1 OUTLIER -63.14 -49.54 73.98 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.332 -0.947 . . . . 1.74 108.508 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.59 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -54.05 -37.79 64.53 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.399 -0.963 . . . . 1.74 108.399 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 24' ' ' HIS . 3.3 tpt180 -53.2 -32.98 50.79 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.089 -1.078 . . . . 2.26 108.089 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 25' ' ' SER . 36.4 t70 -67.65 -26.1 66.05 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.901 -0.777 . . . . 2.29 108.901 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.662 ' HB3' HG21 ' B' ' 51' ' ' ILE . 49.4 m -66.25 -76.18 0.08 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.517 -0.92 . . . . 1.44 108.517 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.609 HG11 ' HG2' ' A' ' 46' ' ' LYS . 1.6 t . . . . . 0 C--N 1.312 -1.062 0 O-C-N 120.932 -1.105 . . . . 1.3 108.808 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.525 0.678 . . . . 2.84 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.59 HG21 ' HB3' ' A' ' 26' ' ' LEU . 1.1 mp -72.79 -21.06 19.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 C-N-CA 118.878 -1.129 . . . . 2.95 109.986 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' B' ' 44' ' ' LEU . 3.6 mt -61.72 -52.9 62.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.513 -1.367 . . . . 1.43 107.973 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -50.17 -55.1 16.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.17 -0.956 . . . . 2.29 108.576 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.609 ' HG2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -64.09 -63.61 1.11 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.285 -0.884 . . . . 2.66 109.429 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.548 ' HB1' ' HB1' ' B' ' 47' ' ' ALA . . . -33.75 -55.65 0.46 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.937 -0.477 . . . . 0.73 111.204 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.746 HG21 ' HB3' ' B' ' 25' ' ' SER . 1.2 m -55.14 -53.0 61.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.12 -0.987 . . . . 1.76 110.857 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -63.22 -24.53 67.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.118 -0.989 . . . . 2.26 110.552 -179.217 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.572 ' HD2' HG23 ' B' ' 51' ' ' ILE . 1.9 m-30 -78.55 -51.1 10.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.132 -0.98 . . . . 2.26 110.403 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' B' ' 29' ' ' SER . 23.6 mt -52.43 -56.29 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.88 110.444 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -65.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.177 -0.952 . . . . 2.44 110.344 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -46.9 -63.25 1.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 1.73 110.272 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 40.7 mtt -45.79 -72.61 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 1.4 111.191 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' MET . 1.6 ttp180 -39.49 -49.16 2.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.319 -0.863 . . . . 2.6 110.971 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 2.46 110.472 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -51.14 -45.52 61.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 2.36 110.521 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' MET . 30.2 t -40.82 -59.94 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 1.4 110.611 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.56 -60.39 3.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 2.12 110.584 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.2 m -52.65 -51.44 60.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 1.35 110.566 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 61' ' ' LEU . 12.0 mt -49.56 -65.93 0.48 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 0.8 110.757 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.537 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.37 2.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.322 -0.861 . . . . 1.85 110.662 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.03 -39.2 1.85 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -0.938 . . . . 1.75 110.35 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -72.85 -28.48 62.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 1.43 110.033 179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.542 HD11 HD11 ' B' ' 65' ' ' ILE . 1.8 mt -74.16 -32.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.327 -0.858 . . . . 0.56 109.503 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -54.88 11.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 2.02 110.034 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -52.62 -35.06 53.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -0.9 . . . . 1.6 110.15 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 64' ' ' ASP . 1.6 mm? -68.19 -68.9 0.36 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.68 110.94 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.603 ' HA ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -40.77 -31.06 0.14 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.747 . . . . 2.2 110.214 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.54 -47.94 62.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.271 -0.893 . . . . 3.01 110.164 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.879 ' C ' HD12 ' A' ' 75' ' ' LEU . 88.6 mm-40 -60.48 -76.05 0.05 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.317 -0.864 . . . . 1.89 110.672 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.603 ' ND2' ' HA ' ' A' ' 69' ' ' LYS . 1.2 p30 -39.14 -26.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.29 -0.881 . . . . 0.96 110.645 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -73.61 -48.01 35.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.94 -1.1 . . . . 0.69 109.118 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 70' ' ' ARG . 1.2 mt -73.48 -36.16 65.77 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.747 . . . . 1.84 109.296 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.879 HD12 ' C ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -57.87 -54.28 48.71 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.426 -0.796 . . . . 0.54 109.36 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 3.6 mt-10 -52.69 -46.24 67.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.491 -0.756 . . . . 1.65 110.074 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -19.35 3.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 1.88 109.99 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -106.13 -43.28 4.86 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.191 -1.04 . . . . 1.56 108.191 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.117 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.59 0 CA-C-N 115.833 -0.621 . . . . 0.73 109.627 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.564 HD12 HD12 ' A' ' 19' ' ' ILE . 3.3 pt . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.667 -0.494 . . . . 1.99 109.667 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 19' ' ' ILE . 0.8 OUTLIER -27.76 -52.77 0.08 Allowed 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.548 -0.72 . . . . 2.83 110.355 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 6.4 m-20 -55.3 -60.25 3.66 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.836 -1.172 . . . . 2.72 107.836 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' B' ' 19' ' ' ILE . 1.5 t -57.01 -47.1 81.68 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.124 -1.065 . . . . 1.82 108.124 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.536 ' HB2' ' HA ' ' B' ' 20' ' ' LYS . 1.1 m-85 -43.96 -56.69 3.77 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.618 -0.882 . . . . 1.62 108.618 178.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.495 ' HB3' ' O ' ' B' ' 21' ' ' ASP . 3.9 t-80 -42.64 -47.45 5.29 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.714 -0.795 . . . . 2.41 108.887 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.746 ' HB3' HG21 ' A' ' 48' ' ' THR . 0.1 OUTLIER -63.07 -49.62 73.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.487 -0.931 . . . . 1.36 108.487 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB3' ' CB ' ' B' ' 43' ' ' ILE . 0.4 OUTLIER -53.99 -37.85 64.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.375 -0.972 . . . . 1.63 108.375 178.43 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' B' ' 24' ' ' HIS . 3.3 tpt180 -53.24 -32.92 50.71 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.137 -1.06 . . . . 2.45 108.137 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' B' ' 25' ' ' SER . 36.4 t70 -67.66 -26.46 66.22 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 108.921 -0.77 . . . . 1.76 108.921 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.693 ' HB3' HG21 ' A' ' 51' ' ' ILE . 49.7 m -66.0 -74.78 0.1 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.599 -0.841 . . . . 1.24 108.794 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.639 HG11 ' HG2' ' B' ' 46' ' ' LYS . 1.4 t . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.85 109.114 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 121.456 0.646 . . . . 2.48 110.343 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.583 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 1.0 OUTLIER -72.91 -20.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 C-N-CA 118.905 -1.118 . . . . 2.4 109.981 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.827 ' CD2' HD22 ' A' ' 44' ' ' LEU . 3.5 mt -61.77 -52.88 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.492 -1.38 . . . . 1.55 107.987 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -50.23 -55.13 16.58 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.149 -0.969 . . . . 2.49 108.548 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.639 ' HG2' HG11 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -63.97 -63.75 1.07 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.521 -0.871 . . . . 2.14 109.482 178.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -34.23 -55.06 0.51 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.845 -0.535 . . . . 0.71 111.434 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.734 HG21 ' HB3' ' A' ' 25' ' ' SER . 1.2 m -55.08 -53.08 60.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.048 -1.032 . . . . 2.02 110.713 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.543 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 0.1 OUTLIER -63.16 -24.57 67.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 2.27 110.583 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.546 ' HD2' HG23 ' A' ' 51' ' ' ILE . 1.9 m-30 -78.52 -51.18 10.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.126 -0.984 . . . . 2.36 110.422 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.662 HG21 ' HB3' ' A' ' 29' ' ' SER . 24.0 mt -52.43 -56.24 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 1.33 110.397 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -65.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 2.49 110.341 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.483 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -46.92 -63.12 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 1.48 110.25 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.48 ' O ' HG23 ' B' ' 58' ' ' VAL . 40.8 mtt -45.84 -72.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.96 111.174 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.416 ' O ' ' HB ' ' B' ' 58' ' ' VAL . 1.5 ttp180 -39.37 -49.22 1.99 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.263 -0.898 . . . . 2.53 110.939 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.35 -73.21 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 3.1 110.502 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -51.15 -45.58 61.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 1.52 110.57 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 54' ' ' MET . 29.2 t -40.76 -60.04 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.29 -0.881 . . . . 0.86 110.583 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.48 -60.37 3.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.918 . . . . 1.96 110.629 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 94.1 m -52.78 -51.36 60.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.181 -0.95 . . . . 0.84 110.552 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' B' ' 61' ' ' LEU . 12.0 mt -49.6 -65.94 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.232 -0.918 . . . . 1.06 110.686 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.525 ' HA ' HG13 ' B' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.33 2.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.325 -0.859 . . . . 1.52 110.626 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' B' ' 62' ' ' GLN . 0.0 OUTLIER -41.95 -39.37 1.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 1.5 110.398 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.631 ' O ' HD23 ' B' ' 68' ' ' LEU . 0.8 OUTLIER -72.75 -28.48 62.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 1.39 110.066 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.542 HD11 HD11 ' A' ' 65' ' ' ILE . 1.9 mt -74.19 -32.67 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.31 -0.869 . . . . 0.64 109.497 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -54.93 11.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 1.77 110.012 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' B' ' 71' ' ' GLN . 71.7 m-20 -52.55 -35.14 53.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 1.88 110.157 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.631 HD23 ' O ' ' B' ' 64' ' ' ASP . 1.7 mm? -68.18 -69.01 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.242 -0.911 . . . . 1.07 110.952 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.67 -30.72 0.13 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.439 -0.788 . . . . 2.25 110.317 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -69.92 -47.93 60.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 2.75 110.092 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.884 ' C ' HD12 ' B' ' 75' ' ' LEU . 88.8 mm-40 -60.4 -75.88 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 2.0 110.696 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' B' ' 69' ' ' LYS . 9.3 p-10 -38.77 -27.12 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.281 -0.887 . . . . 0.7 110.706 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -73.59 -47.96 36.37 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 0.64 109.155 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 1.2 mt -73.59 -36.04 65.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.531 -0.731 . . . . 1.3 109.316 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.884 HD12 ' C ' ' B' ' 71' ' ' GLN . 0.4 OUTLIER -57.93 -54.12 50.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.404 -0.81 . . . . 0.52 109.356 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.513 ' HG3' HD21 ' A' ' 75' ' ' LEU . 3.5 mt-10 -52.91 -46.25 67.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 1.35 109.982 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -19.29 3.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.197 -0.939 . . . . 2.1 110.001 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -106.17 -43.33 4.84 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.155 -1.054 . . . . 1.98 108.155 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 1.117 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.3 -1.576 0 CA-C-N 115.81 -0.632 . . . . 0.77 109.649 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.042 HG23 HD12 ' B' ' 44' ' ' LEU . 31.4 mm . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 108.78 -0.822 . . . . 1.72 108.78 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 19.0 mttp -32.69 -44.47 0.11 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.579 -0.701 . . . . 4.71 110.459 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.99 -57.12 14.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.829 -1.169 . . . . 2.76 108.132 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' LEU . 39.8 m -59.98 -38.32 82.22 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.188 -1.042 . . . . 1.64 108.188 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.816 ' CE1' HD11 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -50.84 -61.97 1.89 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.306 -0.998 . . . . 1.93 108.306 178.457 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -44.17 -44.14 7.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.322 -0.951 . . . . 2.31 108.948 179.038 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -70.01 -31.97 69.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.782 . . . . 1.74 108.911 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.743 ' HB3' HD13 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -77.55 -52.04 9.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.562 -0.711 . . . . 1.74 109.682 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.567 ' N ' HG12 ' A' ' 43' ' ' ILE . 4.6 ttm180 -51.48 -39.39 57.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 2.26 109.057 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -77.53 -2.43 35.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.535 -0.728 . . . . 2.29 109.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.512 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -88.02 -41.07 13.36 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.353 -0.842 . . . . 1.44 111.566 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.579 ' O ' HG12 ' A' ' 30' ' ' VAL . 92.6 t . . . . . 0 N--CA 1.488 1.472 0 O-C-N 120.362 -1.461 . . . . 1.3 111.109 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.291 0.567 . . . . 2.84 112.451 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -75.55 -55.18 12.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.059 -1.651 . . . . 2.95 108.561 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.045 HD12 HG23 ' B' ' 19' ' ' ILE . 5.3 mt -31.56 -38.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.203 0.525 . . . . 1.43 110.296 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.6 t0 -66.82 -59.04 3.89 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.546 -1.279 . . . . 2.29 107.546 177.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 2.2 mmtt -68.29 -39.71 82.0 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 119.381 -0.928 . . . . 2.66 110.078 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.474 ' O ' HG13 ' A' ' 51' ' ' ILE . . . -52.69 -67.32 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.026 -1.046 . . . . 0.73 110.457 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.53 HG23 ' HG ' ' B' ' 26' ' ' LEU . 1.3 m -43.99 -55.19 4.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.064 -1.023 . . . . 1.76 110.659 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.57 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.53 71.81 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 118.542 -1.263 . . . . 2.26 110.053 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.57 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 m-85 -66.84 -48.73 67.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 2.26 110.932 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 10.6 mt -50.87 -34.46 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.047 -1.033 . . . . 0.88 110.617 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' TYR . 21.8 mm-40 -89.04 -65.12 1.05 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 2.44 110.337 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -41.08 -34.03 0.4 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.277 -0.889 . . . . 1.73 110.194 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.477 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 3.7 mmt -81.42 -53.06 6.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.107 -0.996 . . . . 1.4 110.449 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -49.2 -45.92 44.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 2.6 110.175 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.6 -41.24 75.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 2.46 110.168 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.75 -56.53 18.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 2.36 110.07 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.29 -32.46 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 1.4 110.145 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -63.29 -67.56 0.41 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 2.12 110.018 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.4 m -63.11 -27.0 69.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -0.919 . . . . 1.35 110.018 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 64' ' ' ASP . 19.8 mt -69.41 -72.28 0.19 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.8 109.934 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.8 OUTLIER -40.42 -50.61 2.87 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.546 -0.721 . . . . 1.85 110.118 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -32.6 27.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.276 -0.89 . . . . 1.75 109.773 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.2 m-20 -82.72 -21.4 34.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 1.43 109.966 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.567 HD11 HD11 ' B' ' 65' ' ' ILE . 2.5 mt -76.46 -38.79 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 0.56 109.16 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -42.92 68.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.825 . . . . 2.02 109.275 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 12.4 t0 -56.91 -43.7 81.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.367 -0.833 . . . . 1.6 109.509 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 62.2 mt -68.97 -48.46 63.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.68 109.586 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.47 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 10.1 ttmt -48.77 -49.72 37.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.2 109.631 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.692 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -59.34 -46.95 87.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.281 -0.887 . . . . 3.01 109.778 179.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.862 ' O ' HD12 ' A' ' 75' ' ' LEU . 73.2 mt-30 -47.56 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 1.89 110.754 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 68' ' ' LEU . 2.6 p30 -38.6 -26.79 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.201 -0.937 . . . . 0.96 110.967 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -66.57 -35.67 80.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.877 -1.139 . . . . 0.69 109.507 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' A' ' 70' ' ' ARG . 6.1 mp -85.84 -47.48 9.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.451 -0.78 . . . . 1.84 110.559 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.862 HD12 ' O ' ' A' ' 71' ' ' GLN . 3.1 mp -61.54 -24.44 66.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.991 -1.068 . . . . 0.54 109.572 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' B' ' 75' ' ' LEU . 1.6 tp10 -80.82 -48.91 11.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 1.65 110.362 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.49 ' HG2' ' HA ' ' A' ' 74' ' ' LEU . 11.3 pt20 -67.28 -6.85 20.25 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.189 -0.944 . . . . 1.88 110.253 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -105.25 -42.5 5.25 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.037 -1.097 . . . . 1.56 108.037 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.062 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.622 0 N-CA-C 109.203 -0.666 . . . . 0.73 109.203 178.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 1.045 HG23 HD12 ' A' ' 44' ' ' LEU . 32.0 mm . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 108.871 -0.789 . . . . 1.99 108.871 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.565 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 18.8 mttp -32.8 -44.59 0.11 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.619 -0.675 . . . . 2.83 110.475 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.86 -57.23 13.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.871 -1.143 . . . . 2.72 108.142 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.488 ' O ' ' N ' ' B' ' 26' ' ' LEU . 40.0 m -59.92 -38.13 81.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.208 -1.034 . . . . 1.82 108.208 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.818 ' CE1' HD11 ' B' ' 44' ' ' LEU . 0.8 OUTLIER -51.03 -61.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.314 -0.995 . . . . 1.62 108.314 178.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -44.25 -44.13 7.76 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.339 -0.944 . . . . 2.41 109.0 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -69.94 -32.02 70.07 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.864 -0.791 . . . . 1.36 108.864 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.77 ' HB3' HD13 ' B' ' 43' ' ' ILE . 0.5 OUTLIER -77.36 -53.0 8.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 1.63 109.642 179.295 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.57 ' N ' HG12 ' B' ' 43' ' ' ILE . 4.5 ttm180 -50.66 -39.55 51.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.17 -0.956 . . . . 2.45 109.14 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.54 -2.28 34.79 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.54 -0.725 . . . . 1.76 109.538 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -87.85 -42.29 12.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.323 -0.861 . . . . 1.24 111.341 -179.321 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.601 ' O ' HG12 ' B' ' 30' ' ' VAL . 92.9 t . . . . . 0 N--CA 1.49 1.552 0 O-C-N 120.454 -1.404 . . . . 0.85 111.346 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 121.302 0.573 . . . . 2.48 112.438 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.77 HD13 ' HB3' ' B' ' 26' ' ' LEU . 0.9 OUTLIER -75.67 -55.08 12.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 120.024 -1.673 . . . . 2.4 108.588 -179.65 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 1.042 HD12 HG23 ' A' ' 19' ' ' ILE . 5.4 mt -31.55 -38.33 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.209 0.528 . . . . 1.55 110.341 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 43' ' ' ILE . 5.6 t0 -66.92 -59.09 3.81 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.492 -1.299 . . . . 2.49 107.492 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.609 ' HZ2' ' HE2' ' B' ' 50' ' ' TYR . 2.3 mmtt -68.08 -39.62 82.86 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 119.33 -0.948 . . . . 2.14 110.174 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -53.43 -66.94 0.3 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.09 . . . . 0.71 110.59 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.509 HG23 ' HG ' ' A' ' 26' ' ' LEU . 1.3 m -43.84 -55.14 4.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.057 -1.027 . . . . 2.02 110.548 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.56 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.45 71.68 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.584 -1.246 . . . . 2.27 109.992 -179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.609 ' HE2' ' HZ2' ' B' ' 46' ' ' LYS . 1.3 m-85 -67.02 -48.6 67.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.995 . . . . 2.36 111.0 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' B' ' 55' ' ' ARG . 10.6 mt -50.84 -34.61 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.054 -1.029 . . . . 1.33 110.57 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' B' ' 53' ' ' TYR . 22.0 mm-40 -88.92 -65.0 1.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.07 -1.019 . . . . 2.49 110.451 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -41.27 -33.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.341 -0.849 . . . . 1.48 110.18 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.477 ' SD ' ' HB3' ' A' ' 54' ' ' MET . 3.7 mmt -81.4 -53.13 6.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 0.96 110.448 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -49.15 -45.95 44.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.117 -0.99 . . . . 2.53 110.125 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -69.58 -41.3 75.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.296 -0.878 . . . . 3.1 110.099 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.0 OUTLIER -61.72 -56.49 19.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 1.52 110.077 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.27 -32.59 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 0.86 110.155 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.18 -67.52 0.42 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 1.96 110.063 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 91.6 m -63.21 -27.01 69.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.84 109.974 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.514 ' O ' HG13 ' B' ' 65' ' ' ILE . 19.9 mt -69.39 -72.16 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.913 . . . . 1.06 109.943 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.513 ' CA ' HG13 ' B' ' 65' ' ' ILE . 0.8 OUTLIER -40.55 -50.55 2.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.522 -0.736 . . . . 1.52 110.103 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -32.52 28.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.863 . . . . 1.5 109.767 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 61' ' ' LEU . 1.2 m-20 -82.69 -21.4 34.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.39 109.919 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.567 HD11 HD11 ' A' ' 65' ' ' ILE . 2.6 mt -76.53 -38.7 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.64 109.152 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -43.02 68.29 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.387 -0.821 . . . . 1.77 109.274 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' B' ' 71' ' ' GLN . 12.6 t0 -56.77 -43.76 81.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.371 -0.831 . . . . 1.88 109.463 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 68' ' ' LEU . 63.9 mt -69.04 -48.31 63.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 1.07 109.605 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.441 ' HA ' HD22 ' A' ' 68' ' ' LEU . 10.1 ttmt -48.86 -49.86 37.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 2.25 109.607 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -59.05 -47.27 85.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 2.75 109.82 179.545 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.856 ' O ' HD12 ' B' ' 75' ' ' LEU . 73.0 mt-30 -47.27 -81.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 2.0 110.675 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -36.7 -29.3 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.7 110.734 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -66.38 -35.67 80.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.085 -1.009 . . . . 0.64 109.727 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 6.1 mp -85.83 -47.6 9.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 1.3 110.558 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.856 HD12 ' O ' ' B' ' 71' ' ' GLN . 3.1 mp -61.34 -24.54 66.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.012 -1.055 . . . . 0.52 109.576 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 1.6 tp10 -80.8 -48.82 11.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.816 . . . . 1.35 110.436 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' B' ' 74' ' ' LEU . 11.3 pt20 -67.39 -6.78 20.6 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.157 -0.964 . . . . 2.1 110.216 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -105.27 -42.56 5.23 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.952 -1.129 . . . . 1.98 107.952 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 1.062 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.298 -1.642 0 N-CA-C 109.168 -0.678 . . . . 0.77 109.168 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.681 HG22 HD22 ' B' ' 44' ' ' LEU . 10.1 pt . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.887 -0.412 . . . . 1.72 109.887 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 23.9 mtpt -40.9 -59.37 1.45 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.206 -0.934 . . . . 4.71 109.626 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' LYS . 84.3 m-20 -45.0 -46.21 11.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.46 -0.941 . . . . 2.76 108.46 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.539 ' CB ' ' HB3' ' B' ' 44' ' ' LEU . 1.0 OUTLIER -70.97 -47.68 57.61 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.955 -0.698 . . . . 1.64 109.286 178.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.951 ' CE1' HD21 ' B' ' 44' ' ' LEU . 4.9 m-30 -43.86 -67.56 0.27 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.667 -0.864 . . . . 1.93 108.667 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' PHE . 64.4 m80 -40.41 -53.99 2.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.592 -0.692 . . . . 2.31 109.947 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.51 ' HB3' HG21 ' B' ' 48' ' ' THR . 0.2 OUTLIER -62.04 -37.89 86.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 1.74 109.307 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.812 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -69.51 -51.21 37.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.531 -0.731 . . . . 1.74 109.535 179.476 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -50.52 -36.83 35.91 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.52 -0.918 . . . . 2.26 108.52 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.73 65.78 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.6 -0.889 . . . . 2.29 108.6 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' LEU . 12.3 m -63.93 -61.71 2.11 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.823 -0.806 . . . . 1.44 108.823 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.589 HG21 ' CD ' ' A' ' 46' ' ' LYS . 7.9 t . . . . . 0 N--CA 1.487 1.409 0 C-N-CA 119.028 -1.069 . . . . 1.3 109.584 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.178 0.513 . . . . 2.84 111.715 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.812 HG21 ' HB3' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -79.07 -20.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.63 -1.294 . . . . 2.95 108.827 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.969 HD21 ' CE1' ' B' ' 23' ' ' PHE . 5.9 mp -68.63 -47.45 66.58 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.209 -0.996 . . . . 1.43 108.656 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -48.87 64.36 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.584 -0.895 . . . . 2.29 108.584 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.713 ' HZ3' HD13 ' B' ' 51' ' ' ILE . 0.2 OUTLIER -75.31 -40.64 58.28 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.405 -0.918 . . . . 2.66 109.531 178.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.791 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -49.94 -48.34 51.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.502 -0.748 . . . . 0.73 109.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.751 HG23 ' HA ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -65.26 -44.53 87.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.384 -0.823 . . . . 1.76 110.094 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 53' ' ' TYR . 37.6 mm-40 -61.87 -56.8 15.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 2.26 110.135 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.502 ' O ' ' HB2' ' A' ' 54' ' ' MET . 2.8 m-30 -52.28 -64.84 0.69 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.114 -0.991 . . . . 2.26 109.838 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' HA ' ' B' ' 47' ' ' ALA . 64.0 mt -41.65 -41.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 0.88 110.418 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' THR . 2.9 tt0 -80.1 -73.38 0.36 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.037 -1.039 . . . . 2.44 110.304 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -44.58 -46.17 9.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 1.73 110.02 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.502 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -66.7 -55.65 14.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 1.4 110.393 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 1.3 ttp180 -41.16 -71.23 0.09 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.217 -0.927 . . . . 2.6 110.58 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -50.56 -28.83 9.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 2.46 110.453 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -71.39 -38.85 71.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 2.36 110.24 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.75 HG22 HG22 ' B' ' 58' ' ' VAL . 98.6 t -65.58 -46.75 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.952 . . . . 1.4 110.143 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -56.74 -60.86 2.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 2.12 110.245 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' LEU . 97.6 m -51.83 -61.12 2.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.181 -0.949 . . . . 1.35 110.173 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.1 mt -42.72 -46.96 5.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.268 -0.895 . . . . 0.8 110.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.527 ' HA ' HG13 ' A' ' 65' ' ' ILE . 5.1 tm0? -57.49 -48.71 78.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 1.85 110.472 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -35.28 28.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.125 -0.985 . . . . 1.75 110.211 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -72.46 -22.02 61.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 1.43 110.176 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 HD22 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -83.56 -47.08 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.223 -0.923 . . . . 0.56 109.597 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -44.92 82.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -0.887 . . . . 2.02 109.797 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -63.15 -55.66 23.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.339 -0.85 . . . . 1.6 109.928 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' B' ' 69' ' ' LYS . 97.8 mt -60.26 -44.49 95.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.238 -0.913 . . . . 0.68 110.324 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HA ' HD22 ' B' ' 68' ' ' LEU . 24.7 ttmt -48.89 -54.25 16.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.937 . . . . 2.2 110.501 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.801 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -60.44 -40.29 90.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.201 -0.937 . . . . 3.01 110.338 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.838 ' C ' HD12 ' A' ' 75' ' ' LEU . 40.3 mm-40 -50.55 -81.45 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.294 -0.879 . . . . 1.89 110.537 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.515 ' HB3' ' HB3' ' B' ' 71' ' ' GLN . 0.8 OUTLIER -42.22 -26.78 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 0.96 110.306 -179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -59.91 -64.49 0.93 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.022 . . . . 0.69 109.606 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -77.55 -25.96 50.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 1.84 109.545 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.882 HD22 ' HB3' ' B' ' 75' ' ' LEU . 0.3 OUTLIER -60.17 -47.8 84.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.372 -0.83 . . . . 0.54 109.738 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 52.3 tt0 -72.66 -33.36 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 1.65 109.875 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 1.6 mm-40 -58.83 -14.72 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.365 -0.834 . . . . 1.88 109.975 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.438 ' HG2' HG22 ' B' ' 79' ' ' VAL . 2.5 tp60 -106.61 -36.7 6.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.862 -1.162 . . . . 1.56 107.862 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.299 -1.598 0 N-CA-C 108.754 -0.832 . . . . 0.73 108.754 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.78 HG22 HD22 ' A' ' 44' ' ' LEU . 10.8 pt . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 109.959 -0.385 . . . . 1.99 109.959 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.467 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 23.8 mtpt -41.14 -59.51 1.48 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.943 . . . . 2.83 109.586 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' B' ' 20' ' ' LYS . 84.2 m-20 -44.75 -46.41 10.47 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.427 -0.953 . . . . 2.72 108.427 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.532 ' CB ' ' HB3' ' A' ' 44' ' ' LEU . 1.2 t -70.69 -47.68 58.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.594 -0.691 . . . . 1.82 109.301 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.969 ' CE1' HD21 ' A' ' 44' ' ' LEU . 4.9 m-30 -44.09 -67.44 0.28 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.739 -0.837 . . . . 1.62 108.739 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' B' ' 23' ' ' PHE . 64.7 m80 -40.44 -54.29 2.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.63 -0.669 . . . . 2.41 109.833 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.575 ' HB3' HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -61.75 -37.79 85.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.161 -0.962 . . . . 1.36 109.391 179.146 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.816 ' HB3' HG21 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -69.6 -51.19 37.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 1.63 109.575 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.55 -36.79 36.03 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.251 -0.905 . . . . 2.45 108.562 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.6 65.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.66 -0.867 . . . . 1.76 108.66 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 26' ' ' LEU . 11.4 m -63.87 -62.74 1.45 Allowed 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.675 -0.861 . . . . 1.24 108.675 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.592 HG21 ' CD ' ' B' ' 46' ' ' LYS . 8.4 t . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 119.157 -1.017 . . . . 0.85 109.789 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.212 0.529 . . . . 2.48 111.707 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.816 HG21 ' HB3' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -79.06 -20.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.697 -1.252 . . . . 2.4 108.921 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.951 HD21 ' CE1' ' A' ' 23' ' ' PHE . 5.7 mp -68.9 -47.68 65.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.063 -1.023 . . . . 1.55 108.555 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -48.79 63.73 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.623 -0.881 . . . . 2.49 108.623 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.66 ' HZ3' HD13 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -75.47 -40.55 57.23 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.39 -0.924 . . . . 2.14 109.598 178.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.787 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -50.5 -47.68 57.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.387 -0.82 . . . . 0.71 109.773 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -65.48 -44.2 87.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.432 -0.792 . . . . 2.02 110.003 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' B' ' 53' ' ' TYR . 37.6 mm-40 -62.09 -56.69 16.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.259 -0.901 . . . . 2.27 110.083 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' B' ' 54' ' ' MET . 2.7 m-30 -52.45 -64.68 0.74 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.121 -0.987 . . . . 2.36 109.827 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.791 HD11 ' HA ' ' A' ' 47' ' ' ALA . 62.7 mt -41.92 -41.7 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.885 . . . . 1.33 110.467 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' B' ' 48' ' ' THR . 2.9 tt0 -80.29 -73.07 0.38 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.054 -1.029 . . . . 2.49 110.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -44.71 -46.27 10.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.304 -0.873 . . . . 1.48 109.971 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.485 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.3 OUTLIER -66.71 -55.27 15.85 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.96 110.474 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' B' ' 51' ' ' ILE . 1.3 ttp180 -41.56 -71.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.294 -0.879 . . . . 2.53 110.612 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -50.61 -28.85 9.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 3.1 110.357 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' B' ' 54' ' ' MET . 0.1 OUTLIER -71.2 -39.11 71.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.176 -0.953 . . . . 1.52 110.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 58' ' ' VAL . 99.0 t -65.42 -46.73 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.86 110.141 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -56.78 -60.6 3.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 1.96 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 61' ' ' LEU . 98.0 m -52.14 -61.02 2.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 0.84 110.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.553 HD22 HD12 ' A' ' 65' ' ' ILE . 7.1 mt -42.71 -46.93 5.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -0.881 . . . . 1.06 110.247 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.53 ' HA ' HG13 ' B' ' 65' ' ' ILE . 5.1 tm0? -57.45 -48.47 79.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 1.52 110.509 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -35.28 30.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 1.5 110.223 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.49 -21.94 61.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 1.39 110.176 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' B' ' 62' ' ' GLN . 1.1 mt -83.58 -47.25 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 0.64 109.676 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -44.99 81.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 1.77 109.8 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -63.2 -55.51 24.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.353 -0.842 . . . . 1.88 109.933 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' B' ' 71' ' ' GLN . 97.2 mt -60.25 -44.59 95.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.91 . . . . 1.07 110.248 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.518 ' HA ' HD22 ' A' ' 68' ' ' LEU . 24.6 ttmt -48.86 -54.34 15.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.188 -0.945 . . . . 2.25 110.486 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . 0.797 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -60.32 -40.51 90.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 2.75 110.405 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.837 ' C ' HD12 ' B' ' 75' ' ' LEU . 40.7 mm-40 -50.21 -81.52 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 2.0 110.216 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -40.18 -29.2 0.07 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.328 -0.857 . . . . 0.7 110.28 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -59.55 -64.72 0.84 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.919 . . . . 0.64 109.73 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 71' ' ' GLN . 0.8 OUTLIER -77.39 -26.09 51.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 1.3 109.581 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.882 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -60.0 -47.97 83.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.422 -0.799 . . . . 0.52 109.72 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.488 ' HA ' ' HB ' ' B' ' 79' ' ' VAL . 52.0 tt0 -72.52 -33.56 66.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.499 -0.75 . . . . 1.35 109.842 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -58.56 -14.93 9.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 2.1 109.989 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -106.51 -36.92 6.64 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.841 -1.17 . . . . 1.98 107.841 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.672 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.298 -1.645 0 N-CA-C 108.779 -0.823 . . . . 0.77 108.779 178.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.258 0.551 . . . . 3.41 110.161 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.87 142.31 16.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 2.84 110.264 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.54 -78.6 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.223 -0.923 . . . . 2.54 110.126 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 166.01 24.22 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.216 -0.927 . . . . 2.98 110.081 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 7' ' ' HIS . 6.9 tpp180 -85.52 -92.65 0.09 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -0.922 . . . . 2.66 110.374 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 5' ' ' ARG . . . 53.01 -88.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.143 -0.973 . . . . 1.53 110.207 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -119.67 -154.54 0.58 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 3.07 110.242 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.421 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 1.0 OUTLIER -115.9 63.54 0.7 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.151 -0.968 . . . . 3.73 110.311 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 8' ' ' HIS . 13.3 t-20 64.3 9.55 4.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.276 -0.89 . . . . 3.06 110.326 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.13 -169.72 1.69 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.175 -0.953 . . . . 1.68 110.015 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -45.74 129.72 9.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 2.79 109.92 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 tp10 -66.35 -157.67 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 4.04 110.659 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 37.95 -152.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.593 -0.692 . . . . 2.77 111.018 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HE2' ' HG2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -164.95 -148.98 0.12 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.352 -0.843 . . . . 3.44 109.778 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HG2' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.6 32.21 0.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.043 -1.036 . . . . 3.43 110.839 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -105.27 -13.77 15.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.156 -0.965 . . . . 3.47 109.611 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 13' ' ' ARG . 1.3 p30 -124.33 0.77 8.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.513 -0.742 . . . . 3.81 110.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.56 ' CD2' HG12 ' A' ' 19' ' ' ILE . 16.1 p-80 -46.78 -32.92 3.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.147 -0.971 . . . . 6.29 109.28 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.632 HD12 ' CZ ' ' B' ' 23' ' ' PHE . 1.2 mm -53.91 -79.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.161 -0.962 . . . . 1.72 108.699 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -27.94 -42.68 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.22 0.533 . . . . 4.71 110.609 179.06 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 19' ' ' ILE . 3.5 t70 -57.38 -67.16 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 118.985 -1.086 . . . . 2.76 108.207 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' PHE . 74.0 p -54.72 -41.55 70.48 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.166 -1.049 . . . . 1.64 108.166 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.669 ' CZ ' HD12 ' B' ' 19' ' ' ILE . 0.9 OUTLIER -44.48 -59.9 2.22 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.585 -0.894 . . . . 1.93 108.585 178.223 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.466 ' C ' ' O ' ' A' ' 23' ' ' PHE . 19.3 m170 -41.13 -51.66 3.39 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.811 -0.811 . . . . 2.31 108.811 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -44.19 73.12 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.351 -0.981 . . . . 1.74 108.351 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.874 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.18 -38.16 87.38 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.543 -0.723 . . . . 1.74 109.218 178.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' PHE . 2.8 ttt180 -43.63 -40.58 4.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.865 . . . . 2.26 109.276 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -23.88 39.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 2.29 109.504 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.581 ' HB2' ' HA ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -48.42 -56.43 8.23 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.913 -1.143 . . . . 1.44 107.913 178.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.068 HG11 HD23 ' A' ' 33' ' ' LEU . 13.4 t -98.23 111.07 58.7 Favored Pre-proline 0 C--N 1.31 -1.115 0 N-CA-C 108.305 -0.998 . . . . 1.3 108.305 178.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -73.06 -24.44 17.21 Favored 'Trans proline' 0 C--N 1.3 -1.987 0 O-C-N 123.49 1.258 . . . . 1.61 110.016 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.01 -13.76 43.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.267 -0.896 . . . . 2.26 109.592 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.068 HD23 HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -50.87 -31.15 16.49 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.567 -0.708 . . . . 1.9 109.719 179.476 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.15 -45.33 83.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.431 -0.793 . . . . 3.67 110.304 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.54 -4.51 90.12 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.614 -1.394 . . . . 2.32 109.614 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.535 ' OE2' ' HB2' ' A' ' 38' ' ' ALA . 2.2 tm-20 -122.55 41.55 3.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.142 -1.21 . . . . 3.47 110.078 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.611 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -47.47 90.32 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 122.063 0.935 . . . . 3.95 110.503 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.681 ' HB3' ' HA ' ' A' ' 42' ' ' GLN . . . -99.33 65.37 1.41 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.041 -1.037 . . . . 3.7 110.714 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 0.8 OUTLIER 66.48 169.84 0.24 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.133 -0.98 . . . . 4.57 110.463 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -48.16 -40.96 25.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.304 -0.873 . . . . 6.36 110.425 -179.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.55 ' CB ' HD12 ' A' ' 44' ' ' LEU . . . -76.31 8.15 3.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 2.44 110.514 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.681 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 pt20 -44.75 -37.92 4.09 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.133 -0.979 . . . . 2.84 110.666 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.874 HG21 ' HB3' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.41 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.513 -1.275 . . . . 2.95 108.136 178.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.682 HD13 ' CE1' ' B' ' 23' ' ' PHE . 23.0 mt -70.05 -43.3 71.52 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.874 -0.787 . . . . 1.43 108.874 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -53.08 -47.3 68.63 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.438 -0.949 . . . . 2.29 108.438 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HB3' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -80.04 -39.01 30.72 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.642 -0.823 . . . . 2.66 109.569 178.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.896 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -54.66 -40.8 69.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.141 -0.975 . . . . 0.73 109.452 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 2.7 m -70.85 -40.03 72.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.351 -0.843 . . . . 1.76 110.002 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -68.29 -35.75 78.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.136 -0.978 . . . . 2.26 109.647 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' O ' ' CB ' ' A' ' 54' ' ' MET . 2.9 m-85 -65.02 -71.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.31 -0.869 . . . . 2.26 110.136 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.906 HD11 ' HA ' ' B' ' 47' ' ' ALA . 48.3 mt -40.29 -37.72 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.384 -0.823 . . . . 0.88 110.506 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 48' ' ' THR . 43.6 mm-40 -77.53 -74.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 2.44 110.131 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -55.06 -54.61 40.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 1.73 109.605 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.569 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.8 ttt -45.38 -46.79 13.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.115 -0.991 . . . . 1.4 109.607 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 1.3 tmm_? -63.13 -45.46 91.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.331 -0.856 . . . . 2.6 109.578 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -45.69 68.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.357 -0.84 . . . . 2.46 109.715 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -56.62 -52.86 63.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.358 -0.839 . . . . 2.36 109.903 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.5 t -47.46 -58.31 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.298 -0.876 . . . . 1.4 109.977 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -47.09 -64.4 0.79 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.216 -0.927 . . . . 2.12 110.044 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -57.68 -37.76 73.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.173 -0.954 . . . . 1.35 109.94 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.0 mt -59.27 -77.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.34 -0.85 . . . . 0.8 109.838 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -42.72 -26.82 0.14 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.85 110.127 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -59.54 -45.11 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 1.75 109.57 179.493 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.767 ' O ' HD12 ' A' ' 68' ' ' LEU . 13.2 p30 -76.53 -17.75 59.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 1.43 109.839 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.757 HD11 HD11 ' B' ' 65' ' ' ILE . 2.3 mt -80.71 -42.24 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.56 108.722 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -38.51 90.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.455 -0.778 . . . . 2.02 109.121 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -46.22 58.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.502 -0.749 . . . . 1.6 109.274 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 64' ' ' ASP . 33.9 mt -64.46 -37.2 86.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.826 . . . . 0.68 109.339 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 1.5 tppp? -58.5 -44.11 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.47 -0.769 . . . . 2.2 109.804 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -67.4 -36.23 80.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.344 -0.848 . . . . 3.01 109.762 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.745 ' C ' HD12 ' A' ' 75' ' ' LEU . 90.9 mt-30 -58.24 -86.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.337 -0.852 . . . . 1.89 109.998 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.538 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -40.58 -27.16 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.96 110.388 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 69' ' ' LYS . . . -65.61 -54.62 25.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.109 -0.994 . . . . 0.69 109.128 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.597 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 4.5 mp -82.57 -24.82 33.79 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.919 -0.771 . . . . 1.84 108.919 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.833 ' HB3' HD22 ' B' ' 75' ' ' LEU . 0.2 OUTLIER -64.97 -52.9 53.71 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.542 -0.724 . . . . 0.54 109.457 179.279 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' N ' ' CD2' ' B' ' 75' ' ' LEU . 4.6 tt0 -68.18 -29.22 68.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.463 -0.773 . . . . 1.65 109.772 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 73' ' ' ALA . 1.1 tp-100 -66.33 -11.56 51.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.345 -0.847 . . . . 1.88 109.728 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 -38.54 6.08 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.716 -1.216 . . . . 1.56 107.716 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.707 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -61.57 -24.93 35.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 108.582 -0.895 . . . . 0.73 108.582 178.094 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.21 -28.54 12.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.621 -0.675 . . . . 2.85 109.56 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 77' ' ' GLN . . . -84.97 10.1 12.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.334 -0.854 . . . . 1.23 110.007 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.791 HD11 HD11 ' B' ' 82' ' ' LEU . 0.7 OUTLIER -121.37 -49.72 2.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.281 -0.887 . . . . 1.68 109.975 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' N ' HD13 ' A' ' 82' ' ' LEU . 23.6 pt-20 -50.51 140.5 13.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.932 . . . . 1.9 110.195 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 85' ' ' SER . . . 99.79 53.82 1.09 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.541 -1.424 . . . . 1.64 109.541 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.2 OUTLIER 64.05 109.78 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -1.169 . . . . 2.58 110.101 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' CYS . . . -160.75 -36.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.599 -1.401 . . . . 1.7 109.599 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' GLY . 9.8 p . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.437 -1.037 . . . . 2.16 110.455 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.231 0.538 . . . . 2.97 110.183 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.85 142.37 16.27 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 1.62 110.209 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -71.58 -78.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 2.89 110.123 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.53 166.01 24.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.193 -0.942 . . . . 2.41 110.132 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' B' ' 7' ' ' HIS . 6.8 tpp180 -85.52 -92.79 0.09 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.18 -0.95 . . . . 2.32 110.351 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' B' ' 5' ' ' ARG . . . 53.1 -88.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.133 -0.979 . . . . 1.58 110.222 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -119.73 -154.45 0.58 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.25 -0.906 . . . . 2.05 110.198 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' B' ' 8' ' ' HIS . 1.1 t60 -115.91 63.46 0.7 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.209 -0.932 . . . . 3.23 110.376 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' B' ' 8' ' ' HIS . 13.3 t-20 64.35 9.52 4.97 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.294 -0.878 . . . . 2.01 110.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.09 -169.71 1.69 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.179 -0.951 . . . . 1.79 110.027 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.81 129.77 9.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.172 -0.955 . . . . 2.19 109.909 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' B' ' 13' ' ' ARG . 3.2 tp10 -66.32 -157.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 3.16 110.592 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' B' ' 12' ' ' GLU . 0.0 OUTLIER 37.98 -152.04 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.434 0.635 . . . . 4.15 111.05 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.427 ' N ' ' HG2' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -165.1 -149.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.374 -0.829 . . . . 4.63 109.717 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.409 ' HG2' ' HE2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -84.53 32.19 0.51 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.028 -1.045 . . . . 4.92 110.82 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -105.26 -13.79 15.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.15 -0.969 . . . . 3.85 109.603 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.459 ' OD2' ' HB2' ' B' ' 13' ' ' ARG . 1.3 p30 -124.28 0.66 8.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.502 -0.749 . . . . 5.59 110.046 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.564 ' CD2' HG12 ' B' ' 19' ' ' ILE . 16.2 p-80 -46.63 -32.91 3.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.139 -0.976 . . . . 4.22 109.331 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.669 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 1.2 mm -53.87 -79.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.198 -0.939 . . . . 1.99 108.726 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.602 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -27.96 -42.92 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 CA-C-O 121.214 0.531 . . . . 2.83 110.564 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 19' ' ' ILE . 3.5 t70 -57.05 -67.17 0.34 Allowed 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.053 -1.059 . . . . 2.72 108.233 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.428 ' O ' ' C ' ' B' ' 23' ' ' PHE . 65.8 p -54.88 -41.38 70.81 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.203 -1.036 . . . . 1.82 108.203 177.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.682 ' CE1' HD13 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -44.67 -59.84 2.29 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.475 -0.935 . . . . 1.62 108.475 178.242 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.47 ' C ' ' O ' ' B' ' 23' ' ' PHE . 19.4 m170 -41.11 -51.75 3.35 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.814 -0.81 . . . . 2.41 108.814 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -44.16 72.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.418 -0.956 . . . . 1.36 108.418 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.853 ' HB3' HG21 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -66.26 -38.25 87.4 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.486 -0.758 . . . . 1.63 109.193 178.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' B' ' 26' ' ' LEU . 2.8 ttt180 -43.46 -40.62 3.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.389 -0.819 . . . . 2.45 109.281 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 29' ' ' SER . 0.3 OUTLIER -80.92 -23.88 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.485 -0.759 . . . . 1.76 109.637 179.107 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.559 ' HB2' ' HA ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -48.33 -56.18 8.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.931 -1.137 . . . . 1.24 107.931 178.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 1.089 HG11 HD23 ' B' ' 33' ' ' LEU . 12.5 t -98.18 110.27 55.43 Favored Pre-proline 0 C--N 1.303 -1.437 0 N-CA-C 108.358 -0.978 . . . . 0.85 108.358 178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -73.02 -24.56 17.16 Favored 'Trans proline' 0 C--N 1.3 -1.99 0 O-C-N 123.408 1.215 . . . . 1.77 110.043 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.04 -13.41 44.46 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.28 -0.887 . . . . 2.04 109.555 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 1.089 HD23 HG11 ' B' ' 30' ' ' VAL . 0.1 OUTLIER -51.18 -31.1 18.9 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.575 -0.703 . . . . 1.43 109.616 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -45.49 83.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.453 -0.779 . . . . 3.34 110.24 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.35 -4.53 89.96 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.666 -1.374 . . . . 2.06 109.666 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' B' ' 38' ' ' ALA . 2.1 tm-20 -122.51 41.42 3.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.162 -1.199 . . . . 2.87 110.091 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.6 ' CD ' ' N ' ' B' ' 37' ' ' LYS . 0.0 OUTLIER -47.44 90.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.985 0.898 . . . . 3.77 110.571 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' B' ' 42' ' ' GLN . . . -99.46 65.6 1.4 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.07 -1.019 . . . . 2.2 110.692 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.491 ' O ' ' HG2' ' B' ' 42' ' ' GLN . 0.7 OUTLIER 66.5 169.91 0.24 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.131 -0.981 . . . . 2.64 110.467 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.548 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -48.25 -40.84 25.95 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.336 -0.852 . . . . 4.22 110.479 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.536 ' CB ' HD12 ' B' ' 44' ' ' LEU . . . -76.43 8.31 3.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 2.0 110.514 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.69 ' HA ' ' HB3' ' B' ' 38' ' ' ALA . 4.3 pt20 -44.8 -37.89 4.13 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.096 -1.002 . . . . 2.48 110.705 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.853 HG21 ' HB3' ' B' ' 26' ' ' LEU . 0.4 OUTLIER -75.18 -26.42 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 118.51 -1.276 . . . . 2.4 108.162 178.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.668 HD13 ' CE1' ' A' ' 23' ' ' PHE . 23.3 mt -70.16 -43.15 71.46 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 1.55 108.863 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -53.18 -47.28 68.97 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.353 -0.98 . . . . 2.49 108.353 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -80.02 -39.05 30.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.668 -0.813 . . . . 2.14 109.623 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.906 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -55.05 -40.49 70.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.71 109.557 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 2.8 m -70.73 -40.06 72.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 2.02 109.812 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' B' ' 46' ' ' LYS . 0.2 OUTLIER -68.39 -35.63 77.97 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.184 -0.947 . . . . 2.27 109.667 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' MET . 3.0 m-85 -65.05 -71.54 0.18 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.311 -0.868 . . . . 2.36 110.137 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.896 HD11 ' HA ' ' A' ' 47' ' ' ALA . 49.8 mt -40.27 -37.82 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.361 -0.837 . . . . 1.33 110.421 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 48' ' ' THR . 43.6 mm-40 -77.48 -74.97 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.213 -0.929 . . . . 2.49 110.106 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.571 ' CD2' ' N ' ' B' ' 54' ' ' MET . 0.0 OUTLIER -55.01 -54.65 40.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 1.48 109.601 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.571 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.8 ttt -45.34 -46.75 13.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.116 -0.99 . . . . 0.96 109.596 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 1.2 tmm_? -63.18 -45.31 92.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.345 -0.847 . . . . 2.53 109.545 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -45.77 69.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.342 -0.849 . . . . 3.1 109.691 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -56.59 -52.87 63.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -0.822 . . . . 1.52 109.9 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 66.9 t -47.46 -58.21 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.256 -0.903 . . . . 0.86 110.015 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.43 ' O ' ' NE2' ' B' ' 63' ' ' GLN . 0.8 OUTLIER -47.25 -64.26 0.83 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.151 -0.968 . . . . 1.96 110.026 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 31.6 p -57.74 -37.83 74.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.84 109.869 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.491 ' O ' HG13 ' B' ' 65' ' ' ILE . 8.0 mt -59.13 -78.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.343 -0.848 . . . . 1.06 109.849 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.555 ' HA ' ' CG1' ' B' ' 65' ' ' ILE . 0.7 OUTLIER -42.45 -26.99 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.52 110.062 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' B' ' 59' ' ' HIS . 0.0 OUTLIER -59.49 -45.07 92.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.5 109.643 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.752 ' O ' HD12 ' B' ' 68' ' ' LEU . 12.9 p30 -76.53 -17.78 59.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 1.39 109.828 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.757 HD11 HD11 ' A' ' 65' ' ' ILE . 1.9 mt -80.71 -42.25 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.232 -0.917 . . . . 0.64 108.746 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -38.65 91.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.472 -0.768 . . . . 1.77 109.012 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -46.24 58.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.525 -0.734 . . . . 1.88 109.327 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.752 HD12 ' O ' ' B' ' 64' ' ' ASP . 35.1 mt -64.54 -37.11 86.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.331 -0.856 . . . . 1.07 109.338 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 73' ' ' ALA . 1.5 tppp? -58.49 -44.23 89.3 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.383 -0.823 . . . . 2.25 109.753 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -67.4 -36.25 80.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.309 -0.87 . . . . 2.75 109.836 179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.74 ' C ' HD12 ' B' ' 75' ' ' LEU . 91.2 mt-30 -58.23 -86.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 2.0 109.924 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' B' ' 69' ' ' LYS . 0.5 OUTLIER -39.93 -27.83 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.485 -0.76 . . . . 0.7 110.426 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' B' ' 69' ' ' LYS . . . -65.5 -54.67 24.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.108 -0.995 . . . . 0.64 109.207 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' B' ' 74' ' ' LEU . 4.4 mp -82.57 -24.8 33.8 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.935 -0.765 . . . . 1.3 108.935 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.833 HD22 ' HB3' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -64.88 -52.96 53.71 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.473 0.654 . . . . 0.52 109.493 179.231 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.481 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 4.6 tt0 -68.11 -29.18 68.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.443 -0.786 . . . . 1.35 109.751 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 1.1 tp-100 -66.37 -11.52 51.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.324 -0.86 . . . . 2.1 109.727 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.72 -38.51 6.09 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.762 -1.199 . . . . 1.98 107.762 178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -61.63 -25.04 35.73 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 108.558 -0.905 . . . . 0.77 108.558 178.082 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.08 -28.55 12.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.653 -0.654 . . . . 2.75 109.574 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' B' ' 77' ' ' GLN . . . -85.0 10.2 12.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.86 . . . . 1.15 109.991 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.791 HD11 HD11 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -121.5 -49.49 2.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.264 -0.898 . . . . 1.08 110.005 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.45 ' N ' HD13 ' B' ' 82' ' ' LEU . 23.6 pt-20 -50.75 140.47 14.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.204 -0.935 . . . . 2.26 110.19 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.9 53.82 1.09 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.508 -1.437 . . . . 1.76 109.508 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.05 109.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.31 -1.112 . . . . 3.11 110.135 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' B' ' 87' ' ' CYS . . . -160.58 -37.01 0.02 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.6 -1.4 . . . . 2.16 109.6 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' B' ' 86' ' ' GLY . 8.8 p . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.448 -1.031 . . . . 3.46 110.518 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.235 0.541 . . . . 3.41 110.223 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 3' ' ' ASP . . . -129.11 -164.87 1.44 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.937 . . . . 2.84 110.296 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 17.6 t70 65.89 12.81 8.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.348 -0.845 . . . . 2.54 110.215 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 42.78 78.87 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.336 -0.852 . . . . 2.98 110.212 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' ALA . 2.3 ttt85 -63.99 83.75 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.301 -0.874 . . . . 2.66 110.234 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 7' ' ' HIS . . . 41.29 -142.07 0.08 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.324 -0.86 . . . . 1.53 110.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 16.1 m-70 56.64 168.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 3.07 110.377 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 138.83 24.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.32 -0.863 . . . . 3.73 110.102 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -152.27 149.54 28.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.255 -0.903 . . . . 3.06 110.168 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.56 81.29 1.53 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.271 -0.893 . . . . 1.68 110.186 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.66 21.28 6.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 2.79 110.26 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -147.56 76.65 1.41 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.25 -0.906 . . . . 4.04 110.248 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 11.4 ttt180 -46.09 -69.14 0.14 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.304 -0.872 . . . . 2.77 110.193 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER 64.84 -151.18 0.27 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.199 -0.938 . . . . 3.44 110.579 179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -123.01 -7.67 8.35 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.303 -0.873 . . . . 3.43 109.84 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -49.39 -34.71 16.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.35 -0.843 . . . . 3.47 111.021 -179.458 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 10.3 t70 -96.72 -6.14 37.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.058 -1.026 . . . . 3.81 110.897 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' B' ' 40' ' ' ARG . 0.6 OUTLIER -63.38 -83.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.968 -1.082 . . . . 6.29 111.408 -179.215 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.998 HG22 HD22 ' B' ' 44' ' ' LEU . 4.4 pt -60.96 -50.63 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.49 -1.381 . . . . 1.72 110.7 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 19' ' ' ILE . 1.8 mttm -36.05 -64.72 0.3 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.366 -0.834 . . . . 4.71 109.96 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.512 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 1.4 t0 -46.41 -45.29 17.84 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 2.76 107.886 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -63.14 -49.44 74.33 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.763 -0.828 . . . . 1.64 108.763 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 1.077 ' CE1' HD21 ' B' ' 44' ' ' LEU . 9.7 m-30 -48.58 -63.23 1.15 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.352 -0.843 . . . . 1.93 109.002 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -42.64 -52.36 4.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.441 -0.787 . . . . 2.31 109.6 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -29.68 68.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.372 -0.83 . . . . 1.74 109.178 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.731 HD23 HG21 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -71.52 -45.6 61.95 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.664 -0.648 . . . . 1.74 109.63 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.544 ' N ' HG12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -58.08 -27.03 63.28 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.139 -1.059 . . . . 2.26 108.139 178.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 34.5 t0 -71.86 -25.6 62.02 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.765 -0.584 . . . . 2.29 109.658 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -71.0 -36.0 72.29 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.147 -0.97 . . . . 1.44 108.612 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.189 ' CG1' HD13 ' A' ' 33' ' ' LEU 0.285 8.2 t -109.17 90.26 7.86 Favored Pre-proline 0 C--N 1.312 -1.058 0 N-CA-C 108.398 -0.964 . . . . 1.3 108.398 179.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' O ' ' HB3' ' A' ' 32' ' ' SER . 43.4 Cg_endo -69.52 169.56 18.34 Favored 'Trans proline' 0 C--N 1.302 -1.89 0 O-C-N 123.921 1.484 . . . . 1.61 110.812 -178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.478 ' O ' ' OE1' ' A' ' 36' ' ' GLU . 0.1 OUTLIER 64.98 6.81 3.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.531 -0.731 . . . . 2.26 110.57 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.189 HD13 ' CG1' ' A' ' 30' ' ' VAL . 1.4 tp -87.63 -74.15 0.45 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.111 -0.993 . . . . 1.9 109.665 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER 49.27 -89.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.541 -0.724 . . . . 3.67 110.45 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 33' ' ' LEU . . . -123.19 45.22 1.21 Allowed Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.915 -1.274 . . . . 2.32 109.915 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' OE1' ' O ' ' A' ' 32' ' ' SER . 3.0 tt0 -68.68 -139.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -1.192 . . . . 3.47 109.943 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -25.51 34.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.158 -0.963 . . . . 3.95 110.09 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.701 ' HB1' ' HA ' ' A' ' 42' ' ' GLN . . . -65.75 159.7 24.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.139 -0.975 . . . . 3.7 110.145 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.31 175.74 9.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.163 -0.961 . . . . 4.57 110.646 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.485 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 0.0 OUTLIER 58.21 -110.68 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 6.36 108.872 -179.347 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.763 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . . . -75.14 -26.86 59.48 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 120.277 -1.514 . . . . 2.44 107.522 178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.701 ' HA ' ' HB1' ' A' ' 38' ' ' ALA . 15.1 mt-30 65.7 -43.48 0.37 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.132 -0.485 . . . . 2.84 112.085 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.78 HG22 ' HB2' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -72.73 -49.15 42.44 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.539 0 O-C-N 120.173 -1.579 . . . . 2.95 109.765 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.059 HD21 ' CE1' ' B' ' 23' ' ' PHE . 10.7 mp -35.82 -43.43 0.3 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.035 -1.041 . . . . 1.43 109.698 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 49' ' ' GLU . 2.1 t0 -62.24 -51.31 68.25 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.611 -0.885 . . . . 2.29 108.611 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.542 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 36.0 mmtt -81.16 -52.01 7.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.266 -0.896 . . . . 2.66 110.127 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.941 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -31.01 -56.57 0.23 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.194 0.521 . . . . 0.73 110.901 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.544 ' OG1' ' HA ' ' B' ' 26' ' ' LEU . 0.6 OUTLIER -79.98 -52.78 7.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.932 -1.105 . . . . 1.76 110.879 -179.481 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.543 ' N ' HG22 ' A' ' 48' ' ' THR . 0.2 OUTLIER -45.3 -29.79 1.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 118.86 -1.136 . . . . 2.26 108.833 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' MET . 3.3 m-85 -72.79 -47.91 42.61 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.042 -0.725 . . . . 2.26 109.042 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 ' HA ' ' B' ' 47' ' ' ALA . 69.1 mt -56.2 -68.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.447 -0.783 . . . . 0.88 109.972 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ILE . 53.4 mt-30 -42.03 -59.45 1.74 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.447 -0.783 . . . . 2.44 110.095 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CD2' ' N ' ' A' ' 54' ' ' MET . 28.5 t80 -56.57 -71.05 0.1 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.277 -0.889 . . . . 1.73 110.136 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.493 ' N ' ' CD2' ' A' ' 53' ' ' TYR . 1.6 mtt -46.93 -57.63 4.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.247 -0.908 . . . . 1.4 110.308 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 4.2 tmt_? -43.07 -62.43 1.04 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 2.6 110.033 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -51.85 -32.58 32.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 2.46 109.781 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.33 -0.856 . . . . 2.36 110.009 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' B' ' 58' ' ' VAL . 65.2 t -44.51 -46.14 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.27 -0.894 . . . . 1.4 110.061 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -55.42 33.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.258 -0.901 . . . . 2.12 110.056 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 6.9 p -63.15 -42.44 99.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.319 -0.863 . . . . 1.35 110.178 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 65' ' ' ILE . 43.7 mt -61.17 -61.08 2.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 0.8 110.18 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.498 ' HA ' HG13 ' A' ' 65' ' ' ILE . 1.1 mt-30 -42.36 -63.12 0.81 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.836 . . . . 1.85 110.391 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' GLN . 72.0 mm-40 -43.4 -36.16 1.84 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.163 -0.961 . . . . 1.75 110.17 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' THR . 12.9 m-20 -73.56 -22.36 60.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 1.43 110.175 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -86.4 -36.58 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.56 109.482 179.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.89 -48.93 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.332 -0.855 . . . . 2.02 109.838 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' OE1' ' A' ' 71' ' ' GLN . 22.9 m-20 -65.06 -48.07 75.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 1.6 109.741 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.514 HD22 ' ND2' ' B' ' 72' ' ' ASN . 17.6 mt -62.1 -39.89 94.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.329 -0.857 . . . . 0.68 109.97 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -61.02 -47.92 84.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.321 -0.862 . . . . 2.2 110.114 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.593 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -62.65 -35.08 78.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.275 -0.891 . . . . 3.01 110.027 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.819 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.07 -80.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.341 -0.849 . . . . 1.89 110.221 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.599 ' HB2' ' HB3' ' B' ' 71' ' ' GLN . 0.1 OUTLIER -39.22 -27.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.96 110.222 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -62.89 -66.59 0.52 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 0.69 108.925 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD23 ' HD3' ' A' ' 70' ' ' ARG . 1.8 pp -72.39 -23.63 61.14 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.83 . . . . 1.84 109.083 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.897 ' HB3' HD22 ' B' ' 75' ' ' LEU . 0.3 OUTLIER -65.43 -46.91 78.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.413 -0.804 . . . . 0.54 109.544 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 72' ' ' ASN . 5.0 tt0 -70.43 -33.91 71.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.391 -0.818 . . . . 1.65 109.892 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.632 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.7 tp-100 -63.84 -11.38 26.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.914 . . . . 1.88 109.703 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.502 ' HB3' HG22 ' B' ' 79' ' ' VAL . 2.7 tp-100 -109.94 -41.09 4.57 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.064 -1.087 . . . . 1.56 108.064 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.886 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -60.09 -16.2 11.3 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 108.81 -0.811 . . . . 0.73 108.81 178.216 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -112.92 -45.56 3.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.523 -0.736 . . . . 2.85 109.841 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 77' ' ' GLN . . . -47.3 -24.95 0.85 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 1.23 110.011 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.57 HD21 ' SG ' ' A' ' 87' ' ' CYS . 1.6 tt -116.04 -45.35 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 1.68 110.09 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -76.14 53.54 0.81 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.21 -0.931 . . . . 1.9 110.168 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -137.1 -49.56 0.07 OUTLIER Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.376 -1.49 . . . . 1.64 109.376 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.7 m -97.38 -14.86 20.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -1.109 . . . . 2.58 110.1 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.49 52.83 2.58 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.658 -1.377 . . . . 1.7 109.658 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.57 ' SG ' HD21 ' A' ' 82' ' ' LEU . 70.8 m . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.182 -1.187 . . . . 2.16 110.269 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.199 0.523 . . . . 2.97 110.189 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' B' ' 3' ' ' ASP . . . -129.08 -164.87 1.44 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.264 -0.898 . . . . 1.62 110.328 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.473 ' HB3' ' O ' ' B' ' 2' ' ' ALA . 17.4 t70 65.9 12.77 8.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 2.89 110.219 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 3' ' ' ASP . 0.0 OUTLIER 42.8 78.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.307 -0.87 . . . . 2.41 110.148 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' B' ' 6' ' ' ALA . 2.2 ttt85 -63.92 83.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -0.875 . . . . 2.32 110.247 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' B' ' 7' ' ' HIS . . . 41.32 -142.04 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.364 -0.835 . . . . 1.58 110.236 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' B' ' 6' ' ' ALA . 16.1 m-70 56.57 168.93 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.281 -0.887 . . . . 2.05 110.385 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 138.87 24.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.331 -0.856 . . . . 3.23 110.14 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -152.28 149.47 28.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 2.01 110.145 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.53 81.27 1.52 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 1.79 110.19 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.63 21.31 6.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.24 -0.912 . . . . 2.19 110.269 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -147.64 76.71 1.4 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.892 . . . . 3.16 110.235 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' B' ' 14' ' ' LYS . 11.5 ttt180 -46.05 -69.19 0.14 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.313 -0.867 . . . . 4.15 110.232 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' B' ' 13' ' ' ARG . 0.1 OUTLIER 64.81 -151.17 0.27 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.226 -0.921 . . . . 4.63 110.529 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -123.0 -7.63 8.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.273 -0.892 . . . . 4.92 109.881 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -49.46 -34.61 17.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.345 -0.847 . . . . 3.85 111.043 -179.44 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 10.2 t70 -96.69 -6.25 36.91 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.029 -1.044 . . . . 5.59 110.862 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.479 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -63.34 -83.1 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.991 -1.068 . . . . 4.22 111.371 -179.161 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 1.033 HG22 HD22 ' A' ' 44' ' ' LEU . 4.8 pt -60.8 -50.84 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.558 -1.339 . . . . 1.99 110.741 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' B' ' 19' ' ' ILE . 1.8 mttm -36.0 -64.78 0.29 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.418 -0.801 . . . . 2.83 110.023 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' B' ' 17' ' ' ASP . 1.4 t0 -46.38 -45.25 17.7 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.941 -1.133 . . . . 2.72 107.941 178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.539 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.5 OUTLIER -63.18 -49.36 74.57 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.746 -0.835 . . . . 1.82 108.746 178.087 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 1.059 ' CE1' HD21 ' A' ' 44' ' ' LEU . 9.7 m-30 -48.68 -63.17 1.17 Allowed 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.281 -0.887 . . . . 1.62 109.047 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' B' ' 23' ' ' PHE . 0.6 OUTLIER -42.63 -52.37 4.87 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 119.777 -0.769 . . . . 2.41 109.636 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -29.61 68.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.898 . . . . 1.36 109.14 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.722 HD23 HG21 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -71.48 -45.76 61.66 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.657 -0.652 . . . . 1.63 109.65 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.543 ' N ' HG12 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -57.96 -26.92 62.92 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.127 -1.064 . . . . 2.45 108.127 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' B' ' 27' ' ' ARG . 34.2 t0 -71.97 -26.21 62.17 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.785 -0.572 . . . . 1.76 109.781 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -70.8 -34.98 72.3 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.24 108.51 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 1.119 ' CG1' HD13 ' B' ' 33' ' ' LEU . 12.6 t -109.22 89.15 6.58 Favored Pre-proline 0 C--N 1.299 -1.621 0 N-CA-C 109.073 -0.714 . . . . 0.85 109.073 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.472 ' O ' ' HB3' ' B' ' 32' ' ' SER . 44.0 Cg_endo -69.68 169.37 18.96 Favored 'Trans proline' 0 C--N 1.303 -1.823 0 O-C-N 123.953 1.502 . . . . 1.77 110.96 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.49 ' O ' ' OE1' ' B' ' 36' ' ' GLU . 0.1 OUTLIER 64.97 6.76 3.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.553 -0.717 . . . . 2.04 110.564 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 1.119 HD13 ' CG1' ' B' ' 30' ' ' VAL . 1.8 tp -87.78 -73.92 0.47 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.143 -0.973 . . . . 1.43 109.732 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.451 ' O ' ' NE2' ' B' ' 42' ' ' GLN . 0.4 OUTLIER 49.17 -88.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.486 -0.759 . . . . 3.34 110.453 179.672 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' B' ' 33' ' ' LEU . . . -123.21 45.19 1.22 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.905 -1.278 . . . . 2.06 109.905 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.49 ' OE1' ' O ' ' B' ' 32' ' ' SER . 3.0 tt0 -68.68 -139.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.175 -1.191 . . . . 2.87 109.933 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -25.38 34.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.109 -0.994 . . . . 3.77 110.157 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.706 ' HB1' ' HA ' ' B' ' 42' ' ' GLN . . . -65.88 159.74 24.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.083 -1.011 . . . . 2.2 110.068 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.35 175.75 9.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.127 -0.983 . . . . 2.64 110.628 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.577 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER 58.14 -110.71 0.53 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.309 -0.87 . . . . 4.22 108.938 -179.335 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.757 ' HB2' ' CZ ' ' B' ' 23' ' ' PHE . . . -75.03 -26.94 59.86 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 120.255 -1.528 . . . . 2.0 107.446 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.706 ' HA ' ' HB1' ' B' ' 38' ' ' ALA . 15.2 mt-30 65.79 -43.42 0.37 Allowed 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 116.161 -0.472 . . . . 2.48 112.012 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.802 HG22 ' HB2' ' B' ' 47' ' ' ALA . 1.0 OUTLIER -72.77 -49.38 40.68 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.472 0 O-C-N 120.202 -1.561 . . . . 2.4 109.79 -179.283 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 1.077 HD21 ' CE1' ' A' ' 23' ' ' PHE . 10.1 mp -35.52 -43.58 0.27 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.116 -0.99 . . . . 1.55 109.725 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' B' ' 49' ' ' GLU . 2.0 t0 -62.19 -51.38 68.06 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.704 -0.85 . . . . 2.49 108.704 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.543 ' HA ' ' CG ' ' B' ' 49' ' ' GLU . 36.0 mmtt -81.09 -52.15 7.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.307 -0.871 . . . . 2.14 110.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 1.021 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -31.81 -55.67 0.29 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.81 -0.556 . . . . 0.71 111.36 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.549 HG22 ' N ' ' B' ' 49' ' ' GLU . 0.6 OUTLIER -79.88 -52.99 7.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.986 -1.071 . . . . 2.02 110.496 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.549 ' N ' HG22 ' B' ' 48' ' ' THR . 0.2 OUTLIER -45.33 -29.73 1.11 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.807 -1.183 . . . . 2.27 108.82 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' B' ' 54' ' ' MET . 3.3 m-85 -72.84 -47.93 42.09 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.028 -0.73 . . . . 2.36 109.028 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.941 HD11 ' HA ' ' A' ' 47' ' ' ALA . 69.0 mt -56.15 -68.3 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.781 . . . . 1.33 109.951 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' ILE . 53.3 mt-30 -42.06 -59.43 1.75 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.414 -0.804 . . . . 2.49 110.095 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' N ' ' B' ' 54' ' ' MET . 28.4 t80 -56.63 -71.02 0.1 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.344 -0.848 . . . . 1.48 110.133 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.498 ' N ' ' CD2' ' B' ' 53' ' ' TYR . 1.6 mtt -46.91 -57.65 4.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.191 -0.943 . . . . 0.96 110.33 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 4.2 tmt_? -43.04 -62.41 1.04 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.189 -0.944 . . . . 2.53 110.06 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm-85 -51.9 -32.48 32.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.927 . . . . 3.1 109.861 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -56.87 4.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 1.52 110.005 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 58' ' ' VAL . 66.2 t -44.68 -46.08 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 0.86 110.034 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -55.35 34.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.861 . . . . 1.96 110.058 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 64' ' ' ASP . 6.9 p -63.16 -42.49 99.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 0.84 110.143 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.513 ' O ' HG13 ' B' ' 65' ' ' ILE . 44.1 mt -61.16 -61.12 2.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.304 -0.872 . . . . 1.06 110.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.509 ' CA ' HG13 ' B' ' 65' ' ' ILE . 1.1 mt-30 -42.25 -63.18 0.79 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.367 -0.833 . . . . 1.52 110.383 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' B' ' 62' ' ' GLN . 72.6 mm-40 -43.41 -36.13 1.83 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.167 -0.958 . . . . 1.5 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' B' ' 60' ' ' THR . 12.8 m-20 -73.57 -22.43 60.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.276 -0.89 . . . . 1.39 110.15 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.513 HG13 ' O ' ' B' ' 61' ' ' LEU . 0.8 OUTLIER -86.37 -36.47 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.301 -0.875 . . . . 0.64 109.517 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.0 -48.86 72.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.243 -0.911 . . . . 1.77 109.803 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.432 ' O ' ' OE1' ' B' ' 71' ' ' GLN . 23.0 m-20 -65.1 -48.09 74.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 1.88 109.781 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' B' ' 68' ' ' LEU . 17.6 mt -62.01 -39.91 93.89 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 1.07 109.984 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.514 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 1.1 tppp? -61.08 -48.0 83.75 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.25 110.036 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.588 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -62.65 -35.08 78.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.231 -0.918 . . . . 2.75 110.053 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.803 ' C ' HD12 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -61.18 -79.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.313 -0.867 . . . . 2.0 110.242 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.53 ' HA ' ' HB2' ' B' ' 75' ' ' LEU . 5.6 p30 -39.46 -27.58 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.273 -0.892 . . . . 0.7 110.251 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -62.88 -66.66 0.51 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 0.64 108.955 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.544 HD23 ' HD3' ' B' ' 70' ' ' ARG . 1.8 pp -72.28 -23.66 61.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.3 109.092 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.897 HD22 ' HB3' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -65.42 -46.99 77.8 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.434 -0.791 . . . . 0.52 109.524 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 72' ' ' ASN . 4.9 tt0 -70.36 -33.98 72.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.373 -0.83 . . . . 1.35 109.838 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.639 ' O ' ' HB2' ' B' ' 81' ' ' ALA . 1.7 tp-100 -63.74 -11.45 26.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.317 -0.864 . . . . 2.1 109.708 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.485 ' HB3' HG22 ' A' ' 79' ' ' VAL . 2.7 tp-100 -109.96 -40.96 4.6 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.068 -1.086 . . . . 1.98 108.068 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.886 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -60.1 -16.22 11.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.778 -0.823 . . . . 0.77 108.778 178.22 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -112.98 -45.52 3.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.525 -0.735 . . . . 2.75 109.802 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' B' ' 77' ' ' GLN . . . -47.33 -24.89 0.85 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 1.15 110.047 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.577 HD21 ' SG ' ' B' ' 87' ' ' CYS . 1.6 tt -116.08 -45.31 2.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.308 -0.87 . . . . 1.08 110.127 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' B' ' 79' ' ' VAL . 0.3 OUTLIER -76.21 53.61 0.82 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.241 -0.912 . . . . 2.26 110.105 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -137.16 -49.57 0.07 OUTLIER Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.335 -1.506 . . . . 1.76 109.335 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.4 m -97.42 -14.84 20.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -1.127 . . . . 3.11 110.063 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.45 52.9 2.57 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.613 -1.395 . . . . 2.16 109.613 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' CYS . . . . . 0.577 ' SG ' HD21 ' B' ' 82' ' ' LEU . 76.4 m . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.224 -1.162 . . . . 3.46 110.258 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.256 0.551 . . . . 3.41 110.202 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' ASP . . . -163.78 -171.2 2.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.249 -0.907 . . . . 2.84 110.255 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 3' ' ' ASP . 30.0 p-10 -43.19 133.23 4.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 2.54 110.16 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -91.59 169.74 10.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.206 -0.934 . . . . 2.98 110.434 -179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 22.1 ttp85 -177.02 -72.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 2.66 110.16 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' ARG . . . 42.93 -147.27 0.05 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 1.53 110.326 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -115.16 63.26 0.68 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 3.07 110.355 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.17 92.44 1.0 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 3.73 110.019 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -128.79 -48.73 1.25 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.208 -0.933 . . . . 3.06 110.353 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . 175.52 56.09 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.3 -0.875 . . . . 1.68 110.231 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' GLU . 2.6 mp -60.43 -85.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 2.79 110.218 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.6 pt-20 175.7 -41.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.241 -0.912 . . . . 4.04 110.058 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' GLU . 7.5 ttm180 43.78 -95.6 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.327 -0.858 . . . . 2.77 109.851 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 12' ' ' GLU . 16.3 mmtt -98.87 -90.69 0.29 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.024 -1.048 . . . . 3.44 110.121 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -153.48 54.95 0.74 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.268 -0.895 . . . . 3.43 109.851 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.74 -55.66 3.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 3.47 110.647 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -94.44 6.29 49.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 3.81 110.372 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -56.3 -64.62 0.8 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 6.29 110.022 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.662 HD12 ' CZ ' ' B' ' 23' ' ' PHE . 1.9 mm -47.71 -77.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 1.72 109.868 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 2.2 mtmm -28.93 -40.69 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.243 0.545 . . . . 4.71 111.082 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -57.49 -62.96 1.41 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.82 -1.175 . . . . 2.76 108.205 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.479 ' O ' ' HB2' ' A' ' 25' ' ' SER . 0.6 OUTLIER -55.64 -44.44 77.14 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.078 -1.082 . . . . 1.64 108.078 178.169 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CZ ' HD12 ' B' ' 19' ' ' ILE . 2.8 m-30 -45.05 -60.99 1.81 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.56 -0.904 . . . . 1.93 108.56 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 54.6 t-80 -40.61 -37.13 0.68 Allowed 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.429 0.633 . . . . 2.31 109.639 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.1 OUTLIER -62.87 -41.21 99.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.429 -0.794 . . . . 1.74 110.282 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.646 ' CD1' ' HB3' ' B' ' 44' ' ' LEU . 1.9 mp -75.44 -41.25 56.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.037 -1.04 . . . . 1.74 109.76 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -45.99 15.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.538 -0.726 . . . . 2.26 109.848 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -95.93 15.19 21.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 2.29 109.43 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.548 ' CB ' ' HA ' ' A' ' 26' ' ' LEU . 22.8 t -90.91 -52.94 4.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.565 -0.709 . . . . 1.44 109.677 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.777 ' CG2' HG21 ' B' ' 51' ' ' ILE . 88.6 t -109.44 87.64 5.38 Favored Pre-proline 0 C--N 1.312 -1.061 0 O-C-N 120.925 -1.11 . . . . 1.3 109.946 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -64.14 -12.67 33.59 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.824 1.434 . . . . 1.61 109.101 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' GLN . 28.4 t -94.82 25.2 4.21 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.512 -0.922 . . . . 2.26 108.512 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.722 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -46.19 -24.49 0.46 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.497 -0.752 . . . . 1.9 109.076 179.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.569 ' CB ' ' O ' ' A' ' 33' ' ' LEU . 1.4 tt0 79.32 70.81 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.337 -1.357 . . . . 3.67 107.337 -177.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' O ' ' CG ' ' A' ' 36' ' ' GLU . . . 109.34 -22.86 23.99 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 106.964 -2.454 . . . . 2.32 106.964 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HA ' ' HB3' ' A' ' 33' ' ' LEU . 10.3 pt-20 35.15 34.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.982 -0.717 . . . . 3.47 111.334 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.95 19.69 4.71 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.392 -0.818 . . . . 3.95 108.943 178.681 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.608 ' HB1' HG12 ' A' ' 43' ' ' ILE . . . -52.95 116.39 2.33 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.471 -0.768 . . . . 3.7 111.62 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -73.88 -84.43 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 4.57 109.248 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.581 ' CB ' HD11 ' B' ' 19' ' ' ILE . 16.5 mmm-85 -128.63 -56.91 1.21 Allowed 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.679 -0.86 . . . . 6.36 108.679 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.653 ' CA ' HD13 ' B' ' 19' ' ' ILE . . . -78.96 -32.84 45.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.684 -0.635 . . . . 2.44 109.927 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -57.71 -22.79 48.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.369 -0.832 . . . . 2.84 109.946 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.608 HG12 ' HB1' ' A' ' 38' ' ' ALA . 4.9 mt -63.83 -28.28 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.576 -1.268 . . . . 2.95 107.576 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.898 HD21 HD21 ' B' ' 44' ' ' LEU . 1.3 mp -86.93 -45.08 11.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.535 -0.757 . . . . 1.43 110.191 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -43.18 -47.38 6.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.431 -0.793 . . . . 2.29 108.998 179.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.666 ' HG3' HD12 ' A' ' 33' ' ' LEU . 8.0 mmtp -78.4 -56.41 4.47 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.686 -0.857 . . . . 2.66 108.686 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 44' ' ' LEU . . . -35.72 -45.69 0.39 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 0.73 110.487 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.631 HG23 ' HG ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -70.78 -50.96 30.22 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 1.76 110.561 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 78.6 mt-10 -51.5 -29.79 17.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -0.833 . . . . 2.26 110.107 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CE1' HG11 ' A' ' 30' ' ' VAL . 6.0 m-85 -75.22 -44.32 46.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.851 . . . . 2.26 110.582 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.842 HG21 ' CG2' ' B' ' 30' ' ' VAL . 78.2 mt -62.44 -75.29 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.074 -1.016 . . . . 0.88 110.543 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ILE . 7.0 pt20 -43.9 -34.48 1.66 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 2.44 110.241 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 8.0 t80 -70.69 -46.01 63.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 1.73 110.054 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.718 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.6 OUTLIER -67.74 -53.18 29.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.276 -0.89 . . . . 1.4 110.249 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.39 -43.91 16.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.095 -1.003 . . . . 2.6 109.959 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -55.4 10.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.231 -0.918 . . . . 2.46 110.139 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.713 ' HG2' HD12 ' A' ' 61' ' ' LEU . 7.5 tttt -58.92 -44.97 91.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.922 . . . . 2.36 110.04 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 54' ' ' MET . 99.4 t -54.08 -51.98 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -0.907 . . . . 1.4 109.977 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.88 -51.48 60.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 2.12 109.875 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.2 p -62.58 -49.81 73.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.297 -0.877 . . . . 1.35 109.889 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.713 HD12 ' HG2' ' A' ' 57' ' ' LYS . 7.8 mt -55.99 -59.92 4.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.8 109.83 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 65' ' ' ILE . 45.7 tp60 -43.97 -58.15 2.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 1.85 109.963 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -45.64 -33.06 2.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 1.75 109.721 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -22.17 56.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.831 . . . . 1.43 109.821 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.605 HD11 HD11 ' B' ' 65' ' ' ILE . 2.5 mt -80.83 -48.24 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 0.56 109.35 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.38 -40.55 96.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 2.02 109.532 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.05 -52.58 64.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.32 -0.863 . . . . 1.6 109.663 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.547 HD22 ' ND2' ' B' ' 72' ' ' ASN . 45.6 mt -60.71 -43.6 97.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.68 109.65 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -50.8 14.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 2.2 109.806 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.506 ' O ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -60.08 -38.78 83.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.414 -0.803 . . . . 3.01 110.305 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.842 ' O ' HD12 ' A' ' 75' ' ' LEU . 13.9 mm100 -56.7 -81.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.153 -0.967 . . . . 1.89 110.626 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 71' ' ' GLN . 1.3 t-20 -36.21 -31.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.396 -0.815 . . . . 0.96 110.763 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -75.06 -37.15 61.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 0.69 110.265 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' GLN . 6.3 mp -80.12 -38.88 30.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.84 110.958 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 71' ' ' GLN . 4.3 mp -63.26 -41.93 99.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.845 -1.159 . . . . 0.54 109.821 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' B' ' 75' ' ' LEU . 9.1 tt0 -66.8 -38.42 86.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.65 110.111 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.618 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 69.5 tp60 -70.49 -2.56 14.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 1.88 110.245 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.527 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 6.1 tp60 -103.0 -47.44 4.36 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.679 -1.23 . . . . 1.56 107.679 178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.832 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -49.69 -30.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 108.735 -0.839 . . . . 0.73 108.735 177.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.6 mtt-85 -99.32 -14.33 19.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.471 -0.768 . . . . 2.85 109.683 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 77' ' ' GLN . . . -68.03 -63.93 0.96 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.24 -0.913 . . . . 1.23 110.202 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.56 HD12 ' H ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -45.99 -93.5 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.239 -0.913 . . . . 1.68 110.131 -179.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.56 ' H ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -79.08 -178.73 6.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.968 -1.082 . . . . 1.9 110.214 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.55 -34.02 60.48 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.558 -1.417 . . . . 1.64 109.558 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' GLY . 3.0 m -155.28 88.61 1.16 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.244 -1.151 . . . . 2.58 110.401 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' SER . . . 41.23 90.7 0.01 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.825 -1.31 . . . . 1.7 109.825 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.528 ' HB3' ' CG ' ' A' ' 83' ' ' GLU . 31.7 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.214 -1.168 . . . . 2.16 110.291 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttm . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.216 0.532 . . . . 2.97 110.224 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 3' ' ' ASP . . . -163.65 -171.21 2.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 1.62 110.264 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 3' ' ' ASP . 30.1 p-10 -43.07 133.22 3.89 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.254 -0.904 . . . . 2.89 110.144 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -91.58 169.79 10.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.294 -0.879 . . . . 2.41 110.421 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' B' ' 4' ' ' LYS . 22.0 ttp85 -177.07 -72.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.311 -0.868 . . . . 2.32 110.172 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 42.82 -147.15 0.05 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.247 -0.908 . . . . 1.58 110.295 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -115.22 63.19 0.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -0.913 . . . . 2.05 110.308 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.11 92.48 0.98 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.27 -0.894 . . . . 3.23 110.109 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.615 ' O ' ' HB2' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -128.98 -48.5 1.22 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 2.01 110.315 -179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' B' ' 9' ' ' ASN . . . 175.4 55.81 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.898 . . . . 1.79 110.276 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' B' ' 12' ' ' GLU . 2.6 mp -60.29 -85.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.22 -0.925 . . . . 2.19 110.213 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 14' ' ' LYS . 7.7 pt-20 175.61 -41.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.164 -0.96 . . . . 3.16 110.119 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' B' ' 12' ' ' GLU . 7.4 ttm180 43.72 -95.48 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.35 -0.844 . . . . 4.15 109.903 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' B' ' 12' ' ' GLU . 15.9 mmtt -98.92 -90.74 0.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.063 -1.023 . . . . 4.63 110.146 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -153.34 54.94 0.75 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 4.92 109.844 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.74 -55.7 3.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.881 . . . . 3.85 110.618 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -94.33 6.1 49.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.252 -0.905 . . . . 5.59 110.412 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.9 OUTLIER -56.2 -64.66 0.79 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.125 -0.985 . . . . 4.22 109.998 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.726 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 1.9 mm -47.5 -77.92 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.251 -0.906 . . . . 1.99 109.876 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.591 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 2.2 mtmm -28.59 -40.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 121.253 0.549 . . . . 2.83 111.1 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -57.47 -63.09 1.35 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.831 -1.168 . . . . 2.72 108.234 178.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' B' ' 25' ' ' SER . 0.6 OUTLIER -55.62 -44.25 76.9 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.155 -1.054 . . . . 1.82 108.155 178.052 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.824 ' CD1' HD22 ' A' ' 44' ' ' LEU . 2.7 m-30 -45.19 -60.92 1.86 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.584 -0.895 . . . . 1.62 108.584 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' PHE . 54.6 t-80 -40.72 -37.06 0.69 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.359 0.6 . . . . 2.41 109.679 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' B' ' 29' ' ' SER . 0.1 OUTLIER -62.85 -41.34 99.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.448 -0.783 . . . . 1.36 110.228 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.631 ' HG ' HG23 ' A' ' 48' ' ' THR . 1.8 mp -75.3 -41.39 57.11 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.081 -1.012 . . . . 1.63 109.7 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.95 -45.86 15.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.444 -0.785 . . . . 2.45 109.871 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -96.13 15.24 21.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 1.76 109.415 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.537 ' CB ' ' HA ' ' B' ' 26' ' ' LEU . 30.4 t -91.08 -52.0 5.05 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.442 -0.786 . . . . 1.24 109.81 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.842 ' CG2' HG21 ' A' ' 51' ' ' ILE . 91.6 t -109.86 86.87 5.13 Favored Pre-proline 0 C--N 1.303 -1.449 0 O-C-N 121.144 -0.972 . . . . 0.85 110.197 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -63.97 -12.77 33.68 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 O-C-N 123.944 1.497 . . . . 1.77 109.334 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.426 ' C ' ' N ' ' B' ' 34' ' ' GLN . 28.1 t -94.76 25.16 4.2 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.513 -0.921 . . . . 2.04 108.513 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.673 HD12 ' HG3' ' B' ' 46' ' ' LYS . 0.0 OUTLIER -46.15 -24.6 0.47 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.489 -0.757 . . . . 1.43 109.17 179.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.583 ' CB ' ' O ' ' B' ' 33' ' ' LEU . 1.4 tt0 79.42 70.68 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.325 -1.361 . . . . 3.34 107.325 -177.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' B' ' 36' ' ' GLU . . . 109.4 -22.75 24.03 Favored Glycine 0 N--CA 1.485 1.907 0 N-CA-C 107.026 -2.43 . . . . 2.06 107.026 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.472 ' HA ' ' HB3' ' B' ' 33' ' ' LEU . 10.3 pt-20 35.07 34.78 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.957 -0.731 . . . . 2.87 111.333 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' B' ' 35' ' ' GLY . 0.0 OUTLIER -90.07 19.6 4.86 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.352 -0.842 . . . . 3.77 108.908 178.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.616 ' HB1' HG12 ' B' ' 43' ' ' ILE . . . -52.73 116.39 2.29 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.471 -0.768 . . . . 2.2 111.574 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -74.09 -84.45 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.402 -0.812 . . . . 2.64 109.287 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.612 ' CB ' HD11 ' A' ' 19' ' ' ILE . 16.7 mmm-85 -128.62 -57.15 1.2 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.594 -0.891 . . . . 4.22 108.594 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.56 ' CA ' HD13 ' A' ' 19' ' ' ILE . . . -78.38 -33.32 48.94 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.728 -0.607 . . . . 2.0 110.044 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.554 ' HB3' ' HA ' ' B' ' 38' ' ' ALA . 0.1 OUTLIER -57.49 -23.01 47.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.304 -0.873 . . . . 2.48 110.006 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.616 HG12 ' HB1' ' B' ' 38' ' ' ALA . 4.3 mt -63.77 -28.3 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 107.594 -1.261 . . . . 2.4 107.594 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.898 HD21 HD21 ' A' ' 44' ' ' LEU . 1.2 mp -86.96 -44.94 11.24 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.579 -0.737 . . . . 1.55 110.192 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.446 ' HB2' ' HA ' ' B' ' 42' ' ' GLN . 0.4 OUTLIER -43.24 -47.53 6.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.397 -0.814 . . . . 2.49 109.012 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.673 ' HG3' HD12 ' B' ' 33' ' ' LEU . 7.9 mmtp -78.3 -56.05 4.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.819 -0.808 . . . . 2.14 108.819 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' B' ' 44' ' ' LEU . . . -36.99 -44.63 0.52 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.545 -0.722 . . . . 0.71 110.729 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.527 HG23 ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -70.99 -50.77 30.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.172 -0.955 . . . . 2.02 110.33 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' B' ' 53' ' ' TYR . 77.5 mt-10 -51.53 -29.78 18.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.27 110.085 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.598 ' CE1' HG11 ' B' ' 30' ' ' VAL . 5.9 m-85 -75.16 -44.4 46.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 2.36 110.587 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.777 HG21 ' CG2' ' A' ' 30' ' ' VAL . 77.8 mt -62.36 -75.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.096 -1.002 . . . . 1.33 110.549 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' B' ' 51' ' ' ILE . 7.1 pt20 -43.9 -34.47 1.66 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 2.49 110.224 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.512 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 7.7 t80 -70.72 -46.03 63.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 1.48 110.013 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.71 ' O ' HG23 ' B' ' 58' ' ' VAL . 0.5 OUTLIER -67.75 -53.14 29.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.313 -0.867 . . . . 0.96 110.249 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -46.48 -43.82 17.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.14 -0.975 . . . . 2.53 109.95 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -55.36 10.78 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 3.1 110.12 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.719 ' HG2' HD12 ' B' ' 61' ' ' LEU . 7.9 tttt -58.85 -45.02 91.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -0.903 . . . . 1.52 110.028 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 54' ' ' MET . 99.2 t -54.16 -51.86 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.86 109.968 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -52.96 -51.46 61.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 1.96 109.841 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 57' ' ' LYS . 3.3 p -62.56 -49.77 73.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.353 -0.842 . . . . 0.84 109.945 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.719 HD12 ' HG2' ' B' ' 57' ' ' LYS . 7.8 mt -56.12 -59.85 4.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.279 -0.888 . . . . 1.06 109.795 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' B' ' 65' ' ' ILE . 47.5 tp60 -43.75 -58.41 2.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 1.52 109.895 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.58 -32.95 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 1.5 109.765 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -22.02 55.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.341 -0.849 . . . . 1.39 109.794 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.605 HD11 HD11 ' A' ' 65' ' ' ILE . 2.4 mt -81.07 -48.14 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.417 -0.802 . . . . 0.64 109.337 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.37 -40.53 96.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.344 -0.848 . . . . 1.77 109.515 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.02 -52.82 63.75 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 1.88 109.594 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.505 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 45.6 mt -60.55 -43.55 97.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.91 . . . . 1.07 109.696 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.459 ' O ' ' OD1' ' B' ' 72' ' ' ASN . 0.0 OUTLIER -45.98 -50.84 14.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.213 -0.93 . . . . 2.25 109.857 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.497 ' O ' HD13 ' B' ' 74' ' ' LEU . 0.0 OUTLIER -60.16 -38.62 83.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.413 -0.804 . . . . 2.75 110.353 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.846 ' O ' HD12 ' B' ' 75' ' ' LEU . 13.9 mm100 -56.86 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.146 -0.971 . . . . 2.0 110.691 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.547 ' ND2' HD22 ' A' ' 68' ' ' LEU . 2.6 p30 -37.67 -29.99 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.394 -0.816 . . . . 0.7 110.793 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -75.39 -37.17 60.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 0.64 110.087 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 71' ' ' GLN . 6.2 mp -80.21 -38.83 30.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 1.3 110.913 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.846 HD12 ' O ' ' B' ' 71' ' ' GLN . 4.5 mp -63.39 -41.82 98.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.786 -1.196 . . . . 0.52 109.796 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 9.4 tt0 -66.82 -38.21 86.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 1.35 110.12 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.609 ' O ' ' HB2' ' B' ' 81' ' ' ALA . 69.4 tp60 -70.73 -2.45 14.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.284 -0.885 . . . . 2.1 110.202 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.526 ' O ' ' CD2' ' B' ' 82' ' ' LEU . 6.1 tp60 -103.07 -47.45 4.34 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.721 -1.215 . . . . 1.98 107.721 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -49.69 -30.86 5.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.646 -0.872 . . . . 0.77 108.646 177.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -99.35 -14.21 19.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.462 -0.773 . . . . 2.75 109.678 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' B' ' 77' ' ' GLN . . . -68.28 -63.81 0.99 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.225 -0.922 . . . . 1.15 110.174 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.583 HD12 ' H ' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -45.89 -93.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -0.955 . . . . 1.08 110.153 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.583 ' H ' HD12 ' B' ' 82' ' ' LEU . 0.0 OUTLIER -79.07 -178.69 6.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.968 -1.082 . . . . 2.26 110.247 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.53 -33.96 60.6 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.575 -1.41 . . . . 1.76 109.575 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.445 ' O ' ' C ' ' B' ' 86' ' ' GLY . 3.0 m -155.33 88.64 1.16 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.185 -1.185 . . . . 3.11 110.432 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' B' ' 85' ' ' SER . . . 41.27 90.5 0.01 OUTLIER Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.908 -1.277 . . . . 2.16 109.908 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' CYS . . . . . 0.511 ' HB3' ' CG ' ' B' ' 83' ' ' GLU . 32.0 p . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.225 -1.162 . . . . 3.46 110.19 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.261 0.553 . . . . 3.41 110.163 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.93 46.71 2.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.208 -0.932 . . . . 2.84 110.256 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 30.6 t70 -164.9 75.9 0.28 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.17 -0.956 . . . . 2.54 110.278 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 60.9 115.28 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -0.925 . . . . 2.98 110.274 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -55.91 -80.51 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.266 -0.896 . . . . 2.66 110.187 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 7' ' ' HIS . . . -171.96 178.73 2.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.255 -0.903 . . . . 1.53 110.176 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 10.1 t-160 62.79 57.67 1.7 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.323 -0.86 . . . . 3.07 110.08 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -153.79 74.05 0.98 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.293 -0.879 . . . . 3.73 110.162 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -87.08 176.26 7.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.302 -0.874 . . . . 3.06 110.157 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.89 160.04 20.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.212 -0.93 . . . . 1.68 110.149 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -96.18 -16.26 21.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.269 -0.894 . . . . 2.79 110.163 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.56 120.76 21.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 4.04 110.219 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.54 159.2 0.07 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.215 -0.928 . . . . 2.77 110.192 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -110.19 149.87 29.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.252 -0.905 . . . . 3.44 110.457 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -98.07 -15.43 20.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.897 . . . . 3.43 110.34 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -49.98 12.14 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.192 -0.942 . . . . 3.47 110.036 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -84.93 15.16 4.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 3.81 109.722 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -66.21 0.54 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.372 -0.83 . . . . 6.29 110.589 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.12 HG22 ' HB2' ' B' ' 41' ' ' ALA . 3.3 pt -55.16 -58.22 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 118.346 -1.342 . . . . 1.72 109.694 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 0.8 OUTLIER -27.77 -52.88 0.08 Allowed 'General case' 0 N--CA 1.509 2.48 0 O-C-N 121.546 -0.721 . . . . 4.71 110.311 179.019 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 24' ' ' HIS . 6.3 m-20 -55.18 -60.28 3.6 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.827 -1.175 . . . . 2.76 107.827 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ILE . 1.5 t -57.06 -47.02 81.99 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.159 -1.052 . . . . 1.64 108.159 177.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.552 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . 1.2 m-85 -43.99 -56.64 3.82 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.646 -0.872 . . . . 1.93 108.646 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 21' ' ' ASP . 3.9 t-80 -42.61 -47.48 5.24 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.694 -0.802 . . . . 2.31 108.901 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.734 ' HB3' HG21 ' B' ' 48' ' ' THR . 0.1 OUTLIER -63.14 -49.54 73.98 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.332 -0.947 . . . . 1.74 108.508 178.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.59 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -54.05 -37.79 64.53 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.399 -0.963 . . . . 1.74 108.399 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 24' ' ' HIS . 3.3 tpt180 -53.2 -32.98 50.79 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.089 -1.078 . . . . 2.26 108.089 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 25' ' ' SER . 36.4 t70 -67.65 -26.1 66.05 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.901 -0.777 . . . . 2.29 108.901 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.662 ' HB3' HG21 ' B' ' 51' ' ' ILE . 49.4 m -66.25 -76.18 0.08 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.517 -0.92 . . . . 1.44 108.517 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.609 HG11 ' HG2' ' A' ' 46' ' ' LYS . 1.6 t -107.08 105.16 54.83 Favored Pre-proline 0 C--N 1.312 -1.062 0 O-C-N 120.932 -1.105 . . . . 1.3 108.808 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' A' ' 32' ' ' SER . 39.3 Cg_endo -65.16 114.4 2.81 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.84 1.442 . . . . 1.61 109.93 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER 66.05 9.72 6.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.334 -0.854 . . . . 2.26 109.067 -178.426 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.964 HD11 ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER 71.11 -0.17 3.18 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.643 0.735 . . . . 1.9 111.11 -179.666 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 46.94 37.46 4.99 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.564 -0.71 . . . . 3.67 111.555 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.9 -45.1 0.86 Allowed Glycine 0 N--CA 1.492 2.424 0 C-N-CA 119.247 -1.454 . . . . 2.32 110.683 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.588 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.7 mm-40 -68.72 135.06 50.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.005 -1.291 . . . . 3.47 110.506 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 38' ' ' ALA . 21.8 mmtm -52.14 -20.56 2.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 3.95 109.264 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.83 ' HB1' ' HB3' ' A' ' 42' ' ' GLN . . . 44.52 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.495 -0.753 . . . . 3.7 111.628 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.554 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 1.4 p -112.01 -78.52 0.58 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.155 -0.965 . . . . 4.57 110.489 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HB3' HG23 ' B' ' 19' ' ' ILE . 0.0 OUTLIER -107.96 -52.25 2.79 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.349 -0.982 . . . . 6.36 108.349 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 1.113 ' CB ' HG22 ' B' ' 19' ' ' ILE . . . -93.16 35.16 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.912 -1.144 . . . . 2.44 107.912 177.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.83 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -41.18 -64.56 0.53 Allowed 'General case' 0 C--N 1.291 -1.956 0 CA-C-O 121.525 0.678 . . . . 2.84 110.319 -178.499 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.59 HG21 ' HB3' ' A' ' 26' ' ' LEU . 1.1 mp -72.79 -21.06 19.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 C-N-CA 118.878 -1.129 . . . . 2.95 109.986 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.989 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 3.6 mt -61.72 -52.9 62.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.513 -1.367 . . . . 1.43 107.973 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -50.17 -55.1 16.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.17 -0.956 . . . . 2.29 108.576 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.964 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -64.09 -63.61 1.11 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.285 -0.884 . . . . 2.66 109.429 178.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.548 ' HB1' ' HB1' ' B' ' 47' ' ' ALA . . . -33.75 -55.65 0.46 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.937 -0.477 . . . . 0.73 111.204 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.746 HG21 ' HB3' ' B' ' 25' ' ' SER . 1.2 m -55.14 -53.0 61.48 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.12 -0.987 . . . . 1.76 110.857 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -63.22 -24.53 67.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.118 -0.989 . . . . 2.26 110.552 -179.217 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.572 ' HD2' HG23 ' B' ' 51' ' ' ILE . 1.9 m-30 -78.55 -51.1 10.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.132 -0.98 . . . . 2.26 110.403 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' B' ' 29' ' ' SER . 23.6 mt -52.43 -56.29 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.88 110.444 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -65.68 0.56 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.177 -0.952 . . . . 2.44 110.344 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -46.9 -63.25 1.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 1.73 110.272 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 40.7 mtt -45.79 -72.61 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 1.4 111.191 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' MET . 1.6 ttp180 -39.49 -49.16 2.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.319 -0.863 . . . . 2.6 110.971 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -73.19 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.153 -0.967 . . . . 2.46 110.472 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -51.14 -45.52 61.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 2.36 110.521 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' MET . 30.2 t -40.82 -59.94 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.293 -0.879 . . . . 1.4 110.611 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.56 -60.39 3.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 2.12 110.584 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 95.2 m -52.65 -51.44 60.13 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 1.35 110.566 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 61' ' ' LEU . 12.0 mt -49.56 -65.93 0.48 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.23 -0.919 . . . . 0.8 110.757 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.537 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.37 2.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.322 -0.861 . . . . 1.85 110.662 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.03 -39.2 1.85 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -0.938 . . . . 1.75 110.35 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.623 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -72.85 -28.48 62.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 1.43 110.033 179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.542 HD11 HD11 ' B' ' 65' ' ' ILE . 1.8 mt -74.16 -32.69 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.327 -0.858 . . . . 0.56 109.503 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -54.88 11.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.322 -0.861 . . . . 2.02 110.034 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -52.62 -35.06 53.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -0.9 . . . . 1.6 110.15 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 64' ' ' ASP . 1.6 mm? -68.19 -68.9 0.36 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.68 110.94 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.603 ' HA ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -40.77 -31.06 0.14 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.747 . . . . 2.2 110.214 -179.534 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.54 -47.94 62.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.271 -0.893 . . . . 3.01 110.164 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.879 ' C ' HD12 ' A' ' 75' ' ' LEU . 88.6 mm-40 -60.48 -76.05 0.05 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.317 -0.864 . . . . 1.89 110.672 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.603 ' ND2' ' HA ' ' A' ' 69' ' ' LYS . 1.2 p30 -39.14 -26.56 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.29 -0.881 . . . . 0.96 110.645 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 71' ' ' GLN . . . -73.61 -48.01 35.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.94 -1.1 . . . . 0.69 109.118 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 70' ' ' ARG . 1.2 mt -73.48 -36.16 65.77 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.504 -0.747 . . . . 1.84 109.296 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.879 HD12 ' C ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -57.87 -54.28 48.71 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.426 -0.796 . . . . 0.54 109.36 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 3.6 mt-10 -52.69 -46.24 67.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.491 -0.756 . . . . 1.65 110.074 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.935 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -53.45 -19.35 3.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 1.88 109.99 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -106.13 -43.28 4.86 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.191 -1.04 . . . . 1.56 108.191 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.117 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -53.67 -37.58 32.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 CA-C-N 115.833 -0.621 . . . . 0.73 109.627 178.562 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -98.55 -29.82 12.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 2.85 110.332 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.935 ' HB2' ' O ' ' A' ' 77' ' ' GLN . . . -49.39 -46.08 46.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.058 -1.027 . . . . 1.23 110.247 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER -79.09 -40.54 30.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.2 -0.938 . . . . 1.68 110.366 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.02 64.6 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.209 -0.932 . . . . 1.9 110.287 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -141.36 -39.48 0.08 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.561 -1.416 . . . . 1.64 109.561 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -141.0 35.97 1.75 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -1.169 . . . . 2.58 110.311 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 87' ' ' CYS . . . 44.22 73.81 0.24 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.604 -1.398 . . . . 1.7 109.604 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.473 ' C ' ' O ' ' A' ' 86' ' ' GLY . 14.1 p . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 117.96 -1.019 . . . . 2.16 110.907 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.23 0.538 . . . . 2.97 110.219 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.94 46.72 2.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.267 -0.895 . . . . 1.62 110.172 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' B' ' 4' ' ' LYS . 30.7 t70 -164.87 75.84 0.28 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.21 -0.931 . . . . 2.89 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' B' ' 3' ' ' ASP . 0.0 OUTLIER 60.96 115.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.204 -0.935 . . . . 2.41 110.217 179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -55.89 -80.54 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.237 -0.914 . . . . 2.32 110.191 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' B' ' 7' ' ' HIS . . . -171.85 178.76 2.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.299 -0.875 . . . . 1.58 110.242 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' B' ' 6' ' ' ALA . 10.0 t-160 62.73 57.71 1.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.276 -0.89 . . . . 2.05 110.098 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -153.8 74.01 0.97 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.28 -0.887 . . . . 3.23 110.172 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -87.02 176.32 7.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.295 -0.878 . . . . 2.01 110.168 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.89 159.93 20.24 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 1.79 110.147 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -96.06 -16.25 21.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.212 -0.93 . . . . 2.19 110.21 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.58 120.78 21.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.249 -0.907 . . . . 3.16 110.253 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.45 159.25 0.06 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.263 -0.898 . . . . 4.15 110.191 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -110.33 149.76 29.75 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 4.63 110.423 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -97.96 -15.42 20.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.286 -0.884 . . . . 4.92 110.365 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.86 -49.9 12.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.954 . . . . 3.85 110.052 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 17' ' ' ASP . 0.9 OUTLIER -84.94 15.11 4.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.279 -0.888 . . . . 5.59 109.738 179.429 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -66.17 0.55 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.412 -0.805 . . . . 4.22 110.63 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 1.113 HG22 ' CB ' ' A' ' 41' ' ' ALA . 3.3 pt -55.03 -58.4 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 118.438 -1.305 . . . . 1.99 109.667 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 19' ' ' ILE . 0.8 OUTLIER -27.76 -52.77 0.08 Allowed 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.548 -0.72 . . . . 2.83 110.355 179.095 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' B' ' 24' ' ' HIS . 6.4 m-20 -55.3 -60.25 3.66 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.836 -1.172 . . . . 2.72 107.836 177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' B' ' 19' ' ' ILE . 1.5 t -57.01 -47.1 81.68 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.124 -1.065 . . . . 1.82 108.124 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.536 ' HB2' ' HA ' ' B' ' 20' ' ' LYS . 1.1 m-85 -43.96 -56.69 3.77 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.618 -0.882 . . . . 1.62 108.618 178.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.495 ' HB3' ' O ' ' B' ' 21' ' ' ASP . 3.9 t-80 -42.64 -47.45 5.29 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 119.714 -0.795 . . . . 2.41 108.887 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.746 ' HB3' HG21 ' A' ' 48' ' ' THR . 0.1 OUTLIER -63.07 -49.62 73.8 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.487 -0.931 . . . . 1.36 108.487 178.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.583 ' HB3' ' CB ' ' B' ' 43' ' ' ILE . 0.4 OUTLIER -53.99 -37.85 64.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.375 -0.972 . . . . 1.63 108.375 178.43 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' B' ' 24' ' ' HIS . 3.3 tpt180 -53.24 -32.92 50.71 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.137 -1.06 . . . . 2.45 108.137 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' B' ' 25' ' ' SER . 36.4 t70 -67.66 -26.46 66.22 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 108.921 -0.77 . . . . 1.76 108.921 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.693 ' HB3' HG21 ' A' ' 51' ' ' ILE . 49.7 m -66.0 -74.78 0.1 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.599 -0.841 . . . . 1.24 108.794 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.639 HG11 ' HG2' ' B' ' 46' ' ' LYS . 1.4 t -108.17 104.59 54.24 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.85 109.114 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' B' ' 32' ' ' SER . 39.5 Cg_endo -65.15 114.26 2.75 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 O-C-N 123.921 1.485 . . . . 1.77 109.984 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' B' ' 33' ' ' LEU . 0.5 OUTLIER 66.11 9.85 6.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 2.04 109.143 -178.524 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.959 HD11 ' HB2' ' B' ' 46' ' ' LYS . 0.2 OUTLIER 71.16 -0.32 3.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.527 -0.733 . . . . 1.43 110.937 -179.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 46.85 37.31 4.69 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.578 -0.701 . . . . 3.34 111.469 178.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.68 -44.21 0.92 Allowed Glycine 0 N--CA 1.49 2.299 0 C-N-CA 119.241 -1.457 . . . . 2.06 110.779 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.722 ' HB2' HD12 ' B' ' 33' ' ' LEU . 4.7 mm-40 -69.53 135.33 49.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.916 -1.343 . . . . 2.87 110.506 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' B' ' 38' ' ' ALA . 21.6 mmtm -51.97 -21.09 2.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 3.77 109.195 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.827 ' HB1' ' HB3' ' B' ' 42' ' ' GLN . . . 44.97 98.83 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.504 -0.747 . . . . 2.2 111.595 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.559 ' N ' ' HG3' ' B' ' 42' ' ' GLN . 1.4 p -111.94 -78.5 0.58 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.185 -0.947 . . . . 2.64 110.541 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.571 ' HB3' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.98 -52.33 2.78 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.36 -0.978 . . . . 4.22 108.36 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 1.12 ' HB2' HG22 ' A' ' 19' ' ' ILE . . . -93.27 35.25 1.09 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.793 -1.188 . . . . 2.0 107.793 177.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.827 ' HB3' ' HB1' ' B' ' 38' ' ' ALA . 0.0 OUTLIER -41.24 -64.39 0.56 Allowed 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.456 0.646 . . . . 2.48 110.343 -178.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.583 ' CB ' ' HB3' ' B' ' 26' ' ' LEU . 1.0 OUTLIER -72.91 -20.99 19.19 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 C-N-CA 118.905 -1.118 . . . . 2.4 109.981 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.957 ' HB2' ' HB1' ' B' ' 41' ' ' ALA . 3.5 mt -61.77 -52.88 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.492 -1.38 . . . . 1.55 107.987 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -50.23 -55.13 16.58 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.149 -0.969 . . . . 2.49 108.548 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.959 ' HB2' HD11 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -63.97 -63.75 1.07 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.521 -0.871 . . . . 2.14 109.482 178.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -34.23 -55.06 0.51 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.845 -0.535 . . . . 0.71 111.434 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.734 HG21 ' HB3' ' A' ' 25' ' ' SER . 1.2 m -55.08 -53.08 60.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.048 -1.032 . . . . 2.02 110.713 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.543 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 0.1 OUTLIER -63.16 -24.57 67.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 2.27 110.583 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.546 ' HD2' HG23 ' A' ' 51' ' ' ILE . 1.9 m-30 -78.52 -51.18 10.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.126 -0.984 . . . . 2.36 110.422 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.662 HG21 ' HB3' ' A' ' 29' ' ' SER . 24.0 mt -52.43 -56.24 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 1.33 110.397 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -65.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 2.49 110.341 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.483 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -46.92 -63.12 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 1.48 110.25 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.48 ' O ' HG23 ' B' ' 58' ' ' VAL . 40.8 mtt -45.84 -72.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.96 111.174 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.416 ' O ' ' HB ' ' B' ' 58' ' ' VAL . 1.5 ttp180 -39.37 -49.22 1.99 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.263 -0.898 . . . . 2.53 110.939 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.35 -73.21 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 3.1 110.502 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -51.15 -45.58 61.72 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 1.52 110.57 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 54' ' ' MET . 29.2 t -40.76 -60.04 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.29 -0.881 . . . . 0.86 110.583 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -59.48 -60.37 3.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.918 . . . . 1.96 110.629 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 94.1 m -52.78 -51.36 60.98 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.181 -0.95 . . . . 0.84 110.552 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.466 ' HA ' HD23 ' B' ' 61' ' ' LEU . 12.0 mt -49.6 -65.94 0.48 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.232 -0.918 . . . . 1.06 110.686 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.525 ' HA ' HG13 ' B' ' 65' ' ' ILE . 0.6 OUTLIER -40.94 -57.33 2.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.325 -0.859 . . . . 1.52 110.626 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' B' ' 62' ' ' GLN . 0.0 OUTLIER -41.95 -39.37 1.85 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.284 -0.885 . . . . 1.5 110.398 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.631 ' O ' HD23 ' B' ' 68' ' ' LEU . 0.8 OUTLIER -72.75 -28.48 62.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 1.39 110.066 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.542 HD11 HD11 ' A' ' 65' ' ' ILE . 1.9 mt -74.19 -32.67 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.31 -0.869 . . . . 0.64 109.497 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -54.93 11.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.31 -0.869 . . . . 1.77 110.012 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' B' ' 71' ' ' GLN . 71.7 m-20 -52.55 -35.14 53.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 1.88 110.157 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.631 HD23 ' O ' ' B' ' 64' ' ' ASP . 1.7 mm? -68.18 -69.01 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.242 -0.911 . . . . 1.07 110.952 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -40.67 -30.72 0.13 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.439 -0.788 . . . . 2.25 110.317 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' B' ' 74' ' ' LEU . 0.0 OUTLIER -69.92 -47.93 60.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 2.75 110.092 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.884 ' C ' HD12 ' B' ' 75' ' ' LEU . 88.8 mm-40 -60.4 -75.88 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 2.0 110.696 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' B' ' 69' ' ' LYS . 9.3 p-10 -38.77 -27.12 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.281 -0.887 . . . . 0.7 110.706 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 71' ' ' GLN . . . -73.59 -47.96 36.37 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 0.64 109.155 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 1.2 mt -73.59 -36.04 65.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.531 -0.731 . . . . 1.3 109.316 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.884 HD12 ' C ' ' B' ' 71' ' ' GLN . 0.4 OUTLIER -57.93 -54.12 50.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.404 -0.81 . . . . 0.52 109.356 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.513 ' HG3' HD21 ' A' ' 75' ' ' LEU . 3.5 mt-10 -52.91 -46.25 67.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 1.35 109.982 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.958 ' O ' ' HB2' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -53.39 -19.29 3.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.197 -0.939 . . . . 2.1 110.001 179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -106.17 -43.33 4.84 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.155 -1.054 . . . . 1.98 108.155 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 1.117 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -53.65 -37.63 32.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 CA-C-N 115.81 -0.632 . . . . 0.77 109.649 178.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -98.51 -29.78 12.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 2.75 110.386 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.958 ' HB2' ' O ' ' B' ' 77' ' ' GLN . . . -49.42 -46.07 47.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.035 -1.041 . . . . 1.15 110.262 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' B' ' 84' ' ' GLY . 0.4 OUTLIER -79.15 -40.42 30.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.18 -0.95 . . . . 1.08 110.391 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 64.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.182 -0.948 . . . . 2.26 110.294 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 82' ' ' LEU . . . -141.32 -39.38 0.08 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.575 -1.41 . . . . 1.76 109.575 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.421 ' O ' ' C ' ' B' ' 86' ' ' GLY . 0.2 OUTLIER -141.01 36.0 1.75 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.242 -1.152 . . . . 3.11 110.241 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' B' ' 87' ' ' CYS . . . 44.2 73.78 0.24 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.608 -1.397 . . . . 2.16 109.608 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' CYS . . . . . 0.474 ' C ' ' O ' ' B' ' 86' ' ' GLY . 14.2 p . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 118.006 -0.997 . . . . 3.46 110.887 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.25 0.548 . . . . 3.41 110.199 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.91 99.12 0.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.845 . . . . 2.84 110.162 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -112.86 61.27 0.64 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 2.54 110.198 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -111.29 -172.2 1.98 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.232 -0.918 . . . . 2.98 110.229 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.82 162.8 13.26 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 2.66 110.176 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.15 132.16 56.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -0.904 . . . . 1.53 110.126 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.89 -58.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 3.07 110.379 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 10' ' ' ALA . 16.3 m-70 -86.75 174.21 8.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 3.73 110.313 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.506 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 45.1 m-80 60.47 -73.52 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.487 -0.758 . . . . 3.06 110.662 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' HIS . . . 58.64 176.41 0.07 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.21 -0.931 . . . . 1.68 109.967 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.91 61.91 3.24 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.219 -0.925 . . . . 2.79 110.261 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -150.79 119.56 6.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 4.04 110.294 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.14 -152.74 0.52 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.874 . . . . 2.77 109.913 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.11 14.86 9.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 3.44 110.188 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' NE ' ' B' ' 40' ' ' ARG . 40.9 mtp180 -134.22 -24.09 1.65 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.231 -0.918 . . . . 3.43 110.915 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -122.78 31.32 6.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.774 -1.204 . . . . 3.47 110.104 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 28.1 t0 -132.9 -59.56 0.89 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.359 -0.838 . . . . 3.81 110.089 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -39.41 -73.1 0.05 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.448 -0.783 . . . . 6.29 110.981 -179.655 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.042 HG23 HD12 ' B' ' 44' ' ' LEU . 31.4 mm -43.92 -78.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.101 -1.0 . . . . 1.72 108.78 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HA ' ' HB2' ' A' ' 23' ' ' PHE . 19.0 mttp -32.69 -44.47 0.11 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.579 -0.701 . . . . 4.71 110.459 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 3.1 t0 -58.99 -57.12 14.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.829 -1.169 . . . . 2.76 108.132 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' LEU . 39.8 m -59.98 -38.32 82.22 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.188 -1.042 . . . . 1.64 108.188 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.85 ' CE1' ' HB1' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -50.84 -61.97 1.89 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.306 -0.998 . . . . 1.93 108.306 178.457 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -44.17 -44.14 7.56 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.322 -0.951 . . . . 2.31 108.948 179.038 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -70.01 -31.97 69.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.448 -0.782 . . . . 1.74 108.911 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.743 ' HB3' HD13 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -77.55 -52.04 9.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.562 -0.711 . . . . 1.74 109.682 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.567 ' N ' HG12 ' A' ' 43' ' ' ILE . 4.6 ttm180 -51.48 -39.39 57.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.126 -0.984 . . . . 2.26 109.057 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -77.53 -2.43 35.56 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.535 -0.728 . . . . 2.29 109.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.512 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -88.02 -41.07 13.36 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.353 -0.842 . . . . 1.44 111.566 -179.368 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.018 HG12 ' HG ' ' A' ' 33' ' ' LEU . 92.6 t -120.08 72.49 18.02 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 120.362 -1.461 . . . . 1.3 111.109 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' C ' ' A' ' 29' ' ' SER . 51.5 Cg_endo -79.73 2.57 8.28 Favored 'Trans proline' 0 C--N 1.3 -2.001 0 O-C-N 123.802 1.422 . . . . 1.61 108.644 178.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -110.71 20.24 17.82 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.602 -0.686 . . . . 2.26 110.428 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.04 HD23 ' HG3' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -44.77 -49.77 10.47 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.536 -1.283 . . . . 1.9 107.536 178.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 43.4 18.36 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 115.316 -0.856 . . . . 3.67 112.088 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' LEU . . . -154.95 12.58 0.45 Allowed Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.782 -1.327 . . . . 2.32 109.782 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' OE1' ' HB3' ' A' ' 45' ' ' ASP . 5.6 mm-40 -125.43 154.22 42.29 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.118 -1.225 . . . . 3.47 110.193 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 38' ' ' ALA . 3.3 tptm -86.31 22.98 1.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 3.95 109.786 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.635 ' HA ' ' CB ' ' A' ' 42' ' ' GLN . . . 39.77 -168.22 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.869 0.842 . . . . 3.7 112.209 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER 158.8 -162.92 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.297 -1.001 . . . . 4.57 108.297 -179.171 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -49.83 -67.56 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.563 -1.336 . . . . 6.36 109.301 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.85 ' HB1' ' CE1' ' A' ' 23' ' ' PHE . . . -117.89 71.04 0.81 Allowed 'General case' 0 C--N 1.309 -1.162 0 O-C-N 120.853 -1.155 . . . . 2.44 108.471 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.697 HE22 HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -60.36 -0.97 0.29 Allowed 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.356 -0.838 . . . . 2.84 112.451 -179.237 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -75.55 -55.18 12.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.059 -1.651 . . . . 2.95 108.561 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.045 HD12 HG23 ' B' ' 19' ' ' ILE . 5.3 mt -31.56 -38.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 121.203 0.525 . . . . 1.43 110.296 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.6 t0 -66.82 -59.04 3.89 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.546 -1.279 . . . . 2.29 107.546 177.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 1.04 ' HG3' HD23 ' A' ' 33' ' ' LEU . 2.2 mmtt -68.29 -39.71 82.0 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 119.381 -0.928 . . . . 2.66 110.078 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.474 ' O ' HG13 ' A' ' 51' ' ' ILE . . . -52.69 -67.32 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.026 -1.046 . . . . 0.73 110.457 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.53 HG23 ' HG ' ' B' ' 26' ' ' LEU . 1.3 m -43.99 -55.19 4.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.064 -1.023 . . . . 1.76 110.659 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' HG3' ' N ' ' A' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.53 71.81 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 118.542 -1.263 . . . . 2.26 110.053 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.57 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 1.3 m-85 -66.84 -48.73 67.98 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 2.26 110.932 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 10.6 mt -50.87 -34.46 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.047 -1.033 . . . . 0.88 110.617 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' TYR . 21.8 mm-40 -89.04 -65.12 1.05 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 2.44 110.337 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -41.08 -34.03 0.4 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.277 -0.889 . . . . 1.73 110.194 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.477 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 3.7 mmt -81.42 -53.06 6.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.107 -0.996 . . . . 1.4 110.449 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -49.2 -45.92 44.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.083 -1.011 . . . . 2.6 110.175 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -69.6 -41.24 75.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 2.46 110.168 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.75 -56.53 18.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 2.36 110.07 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.29 -32.46 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 1.4 110.145 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -63.29 -67.56 0.41 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 2.12 110.018 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.4 m -63.11 -27.0 69.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -0.919 . . . . 1.35 110.018 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 64' ' ' ASP . 19.8 mt -69.41 -72.28 0.19 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.8 109.934 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.533 ' HA ' HG13 ' A' ' 65' ' ' ILE . 0.8 OUTLIER -40.42 -50.61 2.87 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.546 -0.721 . . . . 1.85 110.118 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -32.6 27.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.276 -0.89 . . . . 1.75 109.773 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.2 m-20 -82.72 -21.4 34.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 1.43 109.966 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.567 HD11 HD11 ' B' ' 65' ' ' ILE . 2.5 mt -76.46 -38.79 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 0.56 109.16 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -42.92 68.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.825 . . . . 2.02 109.275 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 12.4 t0 -56.91 -43.7 81.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.367 -0.833 . . . . 1.6 109.509 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' B' ' 68' ' ' LEU . 62.2 mt -68.97 -48.46 63.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.68 109.586 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.47 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 10.1 ttmt -48.77 -49.72 37.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.2 109.631 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.692 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -59.34 -46.95 87.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.281 -0.887 . . . . 3.01 109.778 179.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.862 ' O ' HD12 ' A' ' 75' ' ' LEU . 73.2 mt-30 -47.56 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 1.89 110.754 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 68' ' ' LEU . 2.6 p30 -38.6 -26.79 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.201 -0.937 . . . . 0.96 110.967 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -66.57 -35.67 80.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.877 -1.139 . . . . 0.69 109.507 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' A' ' 70' ' ' ARG . 6.1 mp -85.84 -47.48 9.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.451 -0.78 . . . . 1.84 110.559 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.862 HD12 ' O ' ' A' ' 71' ' ' GLN . 3.1 mp -61.54 -24.44 66.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.991 -1.068 . . . . 0.54 109.572 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' B' ' 75' ' ' LEU . 1.6 tp10 -80.82 -48.91 11.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 1.65 110.362 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.854 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 11.3 pt20 -67.28 -6.85 20.25 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.189 -0.944 . . . . 1.88 110.253 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.568 ' O ' HD22 ' A' ' 82' ' ' LEU . 19.6 tp60 -105.25 -42.5 5.25 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.037 -1.097 . . . . 1.56 108.037 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.062 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -53.48 -42.36 48.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 N-CA-C 109.203 -0.666 . . . . 0.73 109.203 178.318 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.542 ' HA ' ' HB2' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -89.45 -35.32 16.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -0.763 . . . . 2.85 110.258 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.854 ' HB2' ' O ' ' A' ' 77' ' ' GLN . . . -49.12 -30.93 7.26 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 1.23 110.653 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 78' ' ' GLN . 0.5 OUTLIER -118.39 5.97 11.82 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.052 -1.03 . . . . 1.68 110.635 -179.627 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -58.96 80.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.125 -0.984 . . . . 1.9 110.435 -179.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -120.51 90.04 0.46 Allowed Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.139 -1.584 . . . . 1.64 109.139 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER 68.84 33.08 3.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -1.127 . . . . 2.58 109.971 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.11 73.27 0.3 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.52 -1.432 . . . . 1.7 109.52 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.42 ' C ' ' HB2' ' B' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.26 -1.141 . . . . 2.16 110.214 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' B' ' 2' ' ' ALA . 8.7 mtt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.27 0.557 . . . . 2.97 110.15 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' B' ' 1' ' ' MET . . . -175.94 99.19 0.07 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.246 -0.909 . . . . 1.62 110.112 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -112.93 61.19 0.64 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.289 -0.882 . . . . 2.89 110.235 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -111.3 -172.31 2.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 2.41 110.239 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.59 162.86 13.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 2.32 110.172 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.18 132.26 56.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.888 . . . . 1.58 110.143 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.77 -58.21 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.185 -0.947 . . . . 2.05 110.334 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' B' ' 10' ' ' ALA . 16.2 m-70 -86.71 174.07 9.07 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 3.23 110.361 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 45.5 m-80 60.56 -73.48 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.549 -0.719 . . . . 2.01 110.621 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' B' ' 8' ' ' HIS . . . 58.71 176.38 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.155 -0.966 . . . . 1.79 110.017 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.96 61.92 3.27 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.17 -0.956 . . . . 2.19 110.19 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -150.81 119.57 6.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.288 -0.882 . . . . 3.16 110.352 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.13 -152.8 0.52 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 4.15 109.952 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.02 14.85 9.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.192 -0.943 . . . . 4.63 110.196 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.556 ' O ' ' NE ' ' A' ' 40' ' ' ARG . 41.1 mtp180 -134.37 -23.78 1.64 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.236 -0.915 . . . . 4.92 110.954 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -123.04 31.32 6.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.782 -1.199 . . . . 3.85 110.06 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 28.2 t0 -132.99 -59.53 0.88 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 5.59 110.065 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -39.32 -73.19 0.05 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.532 -0.73 . . . . 4.22 110.941 -179.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 1.045 HG23 HD12 ' A' ' 44' ' ' LEU . 32.0 mm -43.67 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.161 -0.962 . . . . 1.99 108.871 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.565 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 18.8 mttp -32.8 -44.59 0.11 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.619 -0.675 . . . . 2.83 110.475 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' B' ' 17' ' ' ASP . 3.1 t0 -58.86 -57.23 13.97 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.871 -1.143 . . . . 2.72 108.142 178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.488 ' O ' ' N ' ' B' ' 26' ' ' LEU . 40.0 m -59.92 -38.13 81.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.208 -1.034 . . . . 1.82 108.208 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.839 ' CE1' ' HB1' ' B' ' 41' ' ' ALA . 0.8 OUTLIER -51.03 -61.86 1.97 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.314 -0.995 . . . . 1.62 108.314 178.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' B' ' 23' ' ' PHE . 1.0 OUTLIER -44.25 -44.13 7.76 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.339 -0.944 . . . . 2.41 109.0 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.6 t -69.94 -32.02 70.07 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.864 -0.791 . . . . 1.36 108.864 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.77 ' HB3' HD13 ' B' ' 43' ' ' ILE . 0.5 OUTLIER -77.36 -53.0 8.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.527 -0.733 . . . . 1.63 109.642 179.295 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.57 ' N ' HG12 ' B' ' 43' ' ' ILE . 4.5 ttm180 -50.66 -39.55 51.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.17 -0.956 . . . . 2.45 109.14 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.54 -2.28 34.79 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.54 -0.725 . . . . 1.76 109.538 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' B' ' 26' ' ' LEU . 0.1 OUTLIER -87.85 -42.29 12.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.323 -0.861 . . . . 1.24 111.341 -179.321 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 1.038 HG12 ' HG ' ' B' ' 33' ' ' LEU . 92.9 t -118.82 72.56 11.29 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 120.454 -1.404 . . . . 0.85 111.346 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' C ' ' B' ' 29' ' ' SER . 51.0 Cg_endo -79.79 2.59 8.27 Favored 'Trans proline' 0 C--N 1.301 -1.955 0 O-C-N 123.698 1.367 . . . . 1.77 108.59 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.459 ' O ' ' C ' ' B' ' 33' ' ' LEU . 0.5 OUTLIER -110.87 20.6 17.38 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.571 -0.706 . . . . 2.04 110.448 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 1.044 HD23 ' HG3' ' B' ' 46' ' ' LYS . 0.6 OUTLIER -45.29 -49.39 12.7 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 107.465 -1.309 . . . . 1.43 107.465 178.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 43.34 18.43 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 115.353 -0.839 . . . . 3.34 112.109 178.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' B' ' 33' ' ' LEU . . . -154.93 12.32 0.45 Allowed Glycine 0 N--CA 1.487 2.057 0 C-N-CA 119.479 -1.343 . . . . 2.06 109.912 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.438 ' OE1' ' HB3' ' B' ' 45' ' ' ASP . 5.7 mm-40 -125.22 154.24 41.93 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.089 -1.242 . . . . 2.87 110.222 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' B' ' 38' ' ' ALA . 3.3 tptm -86.29 23.02 1.65 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.278 -0.889 . . . . 3.77 109.823 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.638 ' HA ' ' CB ' ' B' ' 42' ' ' GLN . . . 39.83 -168.21 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 121.96 0.886 . . . . 2.2 112.226 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 0.5 OUTLIER 158.77 -162.94 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.284 -1.006 . . . . 2.64 108.284 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.528 ' NE ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -49.77 -67.67 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.588 -1.32 . . . . 4.22 109.269 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.839 ' HB1' ' CE1' ' B' ' 23' ' ' PHE . . . -117.63 70.89 0.8 Allowed 'General case' 0 C--N 1.311 -1.109 0 O-C-N 120.881 -1.137 . . . . 2.0 108.419 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.657 HE22 HD13 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -60.47 -0.77 0.28 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 115.503 -0.771 . . . . 2.48 112.438 -179.112 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.77 HD13 ' HB3' ' B' ' 26' ' ' LEU . 0.9 OUTLIER -75.67 -55.08 12.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 120.024 -1.673 . . . . 2.4 108.588 -179.65 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 1.042 HD12 HG23 ' A' ' 19' ' ' ILE . 5.4 mt -31.55 -38.33 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.209 0.528 . . . . 1.55 110.341 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 43' ' ' ILE . 5.6 t0 -66.92 -59.09 3.81 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.492 -1.299 . . . . 2.49 107.492 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 1.044 ' HG3' HD23 ' B' ' 33' ' ' LEU . 2.3 mmtt -68.08 -39.62 82.86 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 119.33 -0.948 . . . . 2.14 110.174 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 43' ' ' ILE . . . -53.43 -66.94 0.3 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.09 . . . . 0.71 110.59 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.509 HG23 ' HG ' ' A' ' 26' ' ' LEU . 1.3 m -43.84 -55.14 4.71 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.057 -1.027 . . . . 2.02 110.548 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.56 ' HG3' ' N ' ' B' ' 50' ' ' TYR . 1.4 pt-20 -56.46 -38.45 71.68 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.584 -1.246 . . . . 2.27 109.992 -179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.609 ' HE2' ' HZ2' ' B' ' 46' ' ' LYS . 1.3 m-85 -67.02 -48.6 67.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.995 . . . . 2.36 111.0 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' B' ' 55' ' ' ARG . 10.6 mt -50.84 -34.61 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.054 -1.029 . . . . 1.33 110.57 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' B' ' 53' ' ' TYR . 22.0 mm-40 -88.92 -65.0 1.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.07 -1.019 . . . . 2.49 110.451 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -41.27 -33.95 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.341 -0.849 . . . . 1.48 110.18 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.477 ' SD ' ' HB3' ' A' ' 54' ' ' MET . 3.7 mmt -81.4 -53.13 6.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.175 -0.953 . . . . 0.96 110.448 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -49.15 -45.95 44.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.117 -0.99 . . . . 2.53 110.125 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -69.58 -41.3 75.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.296 -0.878 . . . . 3.1 110.099 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' B' ' 61' ' ' LEU . 0.0 OUTLIER -61.72 -56.49 19.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 1.52 110.077 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.27 -32.59 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 0.86 110.155 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.18 -67.52 0.42 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.255 -0.903 . . . . 1.96 110.063 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 91.6 m -63.21 -27.01 69.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.84 109.974 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.514 ' O ' HG13 ' B' ' 65' ' ' ILE . 19.9 mt -69.39 -72.16 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.913 . . . . 1.06 109.943 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.513 ' CA ' HG13 ' B' ' 65' ' ' ILE . 0.8 OUTLIER -40.55 -50.55 2.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.522 -0.736 . . . . 1.52 110.103 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -32.52 28.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.32 -0.863 . . . . 1.5 109.767 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 61' ' ' LEU . 1.2 m-20 -82.69 -21.4 34.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.39 109.919 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.567 HD11 HD11 ' A' ' 65' ' ' ILE . 2.6 mt -76.53 -38.7 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.64 109.152 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -43.02 68.29 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.387 -0.821 . . . . 1.77 109.274 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' B' ' 71' ' ' GLN . 12.6 t0 -56.77 -43.76 81.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.371 -0.831 . . . . 1.88 109.463 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 68' ' ' LEU . 63.9 mt -69.04 -48.31 63.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.303 -0.873 . . . . 1.07 109.605 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.441 ' HA ' HD22 ' A' ' 68' ' ' LEU . 10.1 ttmt -48.86 -49.86 37.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 2.25 109.607 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.688 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -59.05 -47.27 85.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 2.75 109.82 179.545 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.856 ' O ' HD12 ' B' ' 75' ' ' LEU . 73.0 mt-30 -47.27 -81.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 2.0 110.675 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -36.7 -29.3 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.7 110.734 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -66.38 -35.67 80.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.085 -1.009 . . . . 0.64 109.727 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' B' ' 70' ' ' ARG . 6.1 mp -85.83 -47.6 9.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.405 -0.809 . . . . 1.3 110.558 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.856 HD12 ' O ' ' B' ' 71' ' ' GLN . 3.1 mp -61.34 -24.54 66.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.012 -1.055 . . . . 0.52 109.576 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 75' ' ' LEU . 1.6 tp10 -80.8 -48.82 11.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.394 -0.816 . . . . 1.35 110.436 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.854 ' O ' ' HB2' ' B' ' 81' ' ' ALA . 11.3 pt20 -67.39 -6.78 20.6 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.157 -0.964 . . . . 2.1 110.216 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.55 ' O ' HD22 ' B' ' 82' ' ' LEU . 19.6 tp60 -105.27 -42.56 5.23 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.952 -1.129 . . . . 1.98 107.952 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 1.062 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -53.52 -42.34 49.28 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 109.168 -0.678 . . . . 0.77 109.168 178.413 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' B' ' 83' ' ' GLU . 0.1 OUTLIER -89.47 -35.25 16.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.487 -0.758 . . . . 2.75 110.288 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.854 ' HB2' ' O ' ' B' ' 77' ' ' GLN . . . -49.25 -30.92 7.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.185 -0.947 . . . . 1.15 110.64 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.55 HD22 ' O ' ' B' ' 78' ' ' GLN . 0.5 OUTLIER -118.43 6.01 11.79 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.013 -1.055 . . . . 1.08 110.611 -179.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.521 ' HB2' ' HA ' ' B' ' 80' ' ' ARG . 0.9 OUTLIER -58.88 80.29 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.973 . . . . 2.26 110.375 -179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 82' ' ' LEU . . . -120.51 90.0 0.46 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.175 -1.57 . . . . 1.76 109.175 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' B' ' 84' ' ' GLY . 0.5 OUTLIER 69.02 32.97 3.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.333 -1.098 . . . . 3.11 110.034 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.14 73.19 0.31 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.561 -1.416 . . . . 2.16 109.561 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.221 -1.164 . . . . 3.46 110.229 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.231 0.539 . . . . 3.41 110.287 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.8 99.42 0.47 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.155 -0.966 . . . . 2.84 109.924 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -101.05 -25.53 14.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 2.54 110.467 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 15.6 pttt -118.82 136.17 54.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.92 . . . . 2.98 110.332 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -151.56 71.72 1.0 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.217 -0.927 . . . . 2.66 110.164 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 -155.51 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 1.53 110.209 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 8' ' ' HIS . 7.6 m-70 -93.76 103.13 15.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.234 -0.916 . . . . 3.07 110.274 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 7' ' ' HIS . 34.7 m170 42.52 77.66 0.06 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.89 . . . . 3.73 110.259 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -56.13 148.8 17.15 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.253 -0.904 . . . . 3.06 110.155 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.79 107.6 1.49 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 1.68 110.355 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.26 -18.18 6.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 2.79 110.234 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -110.41 88.17 2.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 4.04 109.897 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.41 -32.42 48.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.326 -0.859 . . . . 2.77 110.638 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.51 -143.61 0.3 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.215 -0.928 . . . . 3.44 110.73 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.07 46.21 0.97 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 3.43 110.198 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -144.21 58.74 1.34 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.896 . . . . 3.47 110.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.8 t0 178.85 -30.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 3.81 110.261 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' CB ' ' HB2' ' B' ' 40' ' ' ARG . 67.9 m-70 -61.75 -65.96 0.61 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 6.29 110.534 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.681 HG22 HD22 ' B' ' 44' ' ' LEU . 10.1 pt -51.19 -46.56 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 120.845 -1.159 . . . . 1.72 109.887 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 23.9 mtpt -40.9 -59.37 1.45 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.206 -0.934 . . . . 4.71 109.626 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' LYS . 84.3 m-20 -45.0 -46.21 11.05 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.46 -0.941 . . . . 2.76 108.46 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.539 ' CB ' ' HB3' ' B' ' 44' ' ' LEU . 1.0 OUTLIER -70.97 -47.68 57.61 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.955 -0.698 . . . . 1.64 109.286 178.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.951 ' CE1' HD21 ' B' ' 44' ' ' LEU . 4.9 m-30 -43.86 -67.56 0.27 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.667 -0.864 . . . . 1.93 108.667 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' PHE . 64.4 m80 -40.41 -53.99 2.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.592 -0.692 . . . . 2.31 109.947 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.51 ' HB3' HG21 ' B' ' 48' ' ' THR . 0.2 OUTLIER -62.04 -37.89 86.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 1.74 109.307 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.812 ' HB3' HG21 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -69.51 -51.21 37.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.531 -0.731 . . . . 1.74 109.535 179.476 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -50.52 -36.83 35.91 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.52 -0.918 . . . . 2.26 108.52 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.73 65.78 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.6 -0.889 . . . . 2.29 108.6 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' LEU . 12.3 m -63.93 -61.71 2.11 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.823 -0.806 . . . . 1.44 108.823 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 33' ' ' LEU . 7.9 t -109.57 102.16 48.82 Favored Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 119.028 -1.069 . . . . 1.3 109.584 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.564 ' O ' ' HB2' ' A' ' 32' ' ' SER . 40.6 Cg_endo -67.06 118.59 5.69 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.028 1.541 . . . . 1.61 110.728 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.564 ' HB2' ' O ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER 68.66 -8.29 0.64 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 116.095 -0.502 . . . . 2.26 110.965 -179.203 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.693 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.8 OUTLIER 54.56 16.71 1.41 Allowed 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 123.044 1.402 . . . . 1.9 111.566 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' LEU . 1.4 tp60 40.95 63.46 1.18 Allowed 'General case' 0 C--N 1.26 -3.316 0 CA-C-N 113.758 -1.565 . . . . 3.67 109.282 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 36' ' ' GLU . . . 110.65 24.38 5.6 Favored Glycine 0 N--CA 1.486 2.016 0 N-CA-C 108.738 -1.745 . . . . 2.32 108.738 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -35.43 159.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.645 0.736 . . . . 3.47 111.501 -179.525 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 20.4 ptmt 171.8 -16.44 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.1 0.476 . . . . 3.95 109.844 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.78 ' HB1' ' HB2' ' A' ' 45' ' ' ASP . . . -32.06 -93.65 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.671 -0.643 . . . . 3.7 111.865 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 38' ' ' ALA . 1.6 p 163.82 160.49 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.369 -0.832 . . . . 4.57 110.971 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HD3' ' N ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER 41.87 -102.08 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.369 -0.832 . . . . 6.36 111.006 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.871 ' HB1' ' CD1' ' A' ' 43' ' ' ILE . . . -78.77 -35.22 44.81 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.326 -1.484 . . . . 2.44 107.223 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 12.9 mt-30 74.66 -18.35 0.43 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.312 -0.858 . . . . 2.84 111.715 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.871 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -79.07 -20.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 120.63 -1.294 . . . . 2.95 108.827 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.969 HD21 ' CE1' ' B' ' 23' ' ' PHE . 5.9 mp -68.63 -47.45 66.58 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.209 -0.996 . . . . 1.43 108.656 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.78 ' HB2' ' HB1' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -52.04 -48.87 64.36 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.584 -0.895 . . . . 2.29 108.584 178.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.713 ' HZ3' HD13 ' B' ' 51' ' ' ILE . 0.2 OUTLIER -75.31 -40.64 58.28 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.405 -0.918 . . . . 2.66 109.531 178.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.791 ' HA ' HD11 ' B' ' 51' ' ' ILE . . . -49.94 -48.34 51.97 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.502 -0.748 . . . . 0.73 109.553 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.751 HG23 ' HA ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -65.26 -44.53 87.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.384 -0.823 . . . . 1.76 110.094 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 53' ' ' TYR . 37.6 mm-40 -61.87 -56.8 15.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 2.26 110.135 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.502 ' O ' ' HB2' ' A' ' 54' ' ' MET . 2.8 m-30 -52.28 -64.84 0.69 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.114 -0.991 . . . . 2.26 109.838 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' HA ' ' B' ' 47' ' ' ALA . 64.0 mt -41.65 -41.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 0.88 110.418 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' THR . 2.9 tt0 -80.1 -73.38 0.36 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.037 -1.039 . . . . 2.44 110.304 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -44.58 -46.17 9.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 1.73 110.02 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.502 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -66.7 -55.65 14.16 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 1.4 110.393 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 51' ' ' ILE . 1.3 ttp180 -41.16 -71.23 0.09 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.217 -0.927 . . . . 2.6 110.58 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -50.56 -28.83 9.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -0.953 . . . . 2.46 110.453 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -71.39 -38.85 71.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 2.36 110.24 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.75 HG22 HG22 ' B' ' 58' ' ' VAL . 98.6 t -65.58 -46.75 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.952 . . . . 1.4 110.143 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -56.74 -60.86 2.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 2.12 110.245 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' LEU . 97.6 m -51.83 -61.12 2.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.181 -0.949 . . . . 1.35 110.173 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.1 mt -42.72 -46.96 5.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.268 -0.895 . . . . 0.8 110.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.527 ' HA ' HG13 ' A' ' 65' ' ' ILE . 5.1 tm0? -57.49 -48.71 78.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 1.85 110.472 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -35.28 28.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.125 -0.985 . . . . 1.75 110.211 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -72.46 -22.02 61.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 1.43 110.176 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 HD22 ' B' ' 61' ' ' LEU . 1.0 OUTLIER -83.56 -47.08 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.223 -0.923 . . . . 0.56 109.597 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -44.92 82.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -0.887 . . . . 2.02 109.797 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -63.15 -55.66 23.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.339 -0.85 . . . . 1.6 109.928 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' B' ' 69' ' ' LYS . 97.8 mt -60.26 -44.49 95.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.238 -0.913 . . . . 0.68 110.324 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HA ' HD22 ' B' ' 68' ' ' LEU . 24.7 ttmt -48.89 -54.25 16.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.2 -0.937 . . . . 2.2 110.501 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.801 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -60.44 -40.29 90.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.201 -0.937 . . . . 3.01 110.338 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.838 ' C ' HD12 ' A' ' 75' ' ' LEU . 40.3 mm-40 -50.55 -81.45 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.294 -0.879 . . . . 1.89 110.537 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.515 ' HB3' ' HB3' ' B' ' 71' ' ' GLN . 0.8 OUTLIER -42.22 -26.78 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.047 -1.033 . . . . 0.96 110.306 -179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -59.91 -64.49 0.93 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.064 -1.022 . . . . 0.69 109.606 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -77.55 -25.96 50.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 1.84 109.545 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.882 HD22 ' HB3' ' B' ' 75' ' ' LEU . 0.3 OUTLIER -60.17 -47.8 84.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.372 -0.83 . . . . 0.54 109.738 179.561 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.487 ' HA ' ' HB ' ' A' ' 79' ' ' VAL . 52.3 tt0 -72.66 -33.36 66.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 1.65 109.875 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.55 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 1.6 mm-40 -58.83 -14.72 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.365 -0.834 . . . . 1.88 109.975 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' A' ' 82' ' ' LEU . 2.5 tp60 -106.61 -36.7 6.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.862 -1.162 . . . . 1.56 107.862 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 HG23 ' B' ' 79' ' ' VAL . 0.9 OUTLIER -66.27 -17.87 23.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 108.754 -0.832 . . . . 0.73 108.754 178.337 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -109.27 -25.16 10.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.468 -0.77 . . . . 2.85 109.866 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 77' ' ' GLN . . . -101.53 17.18 23.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 1.23 110.087 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.957 ' O ' HD13 ' A' ' 82' ' ' LEU . 1.1 tm? -156.5 33.66 0.32 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.264 -0.897 . . . . 1.68 110.162 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.84 -172.22 0.8 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.944 -1.098 . . . . 1.9 110.217 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.32 -161.49 13.68 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.652 -1.379 . . . . 1.64 109.652 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' CYS . 19.0 m -92.7 134.44 35.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.334 -1.098 . . . . 2.58 110.209 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.459 ' HA2' HD22 ' B' ' 82' ' ' LEU . . . -44.54 99.61 0.02 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.577 -1.409 . . . . 1.7 109.577 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.287 -1.125 . . . . 2.16 110.228 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.222 0.534 . . . . 2.97 110.291 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.53 99.27 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 1.62 110.013 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -101.0 -25.13 14.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.895 . . . . 2.89 110.5 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' B' ' 4' ' ' LYS . 15.7 pttt -119.26 136.08 54.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.143 -0.973 . . . . 2.41 110.358 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -151.43 71.69 1.01 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.301 -0.874 . . . . 2.32 110.231 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.71 -155.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.247 -0.908 . . . . 1.58 110.231 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -93.69 103.17 15.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.228 -0.92 . . . . 2.05 110.288 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 34.6 m170 42.46 77.69 0.06 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -0.862 . . . . 3.23 110.297 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.17 148.73 17.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.913 . . . . 2.01 110.155 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.72 107.62 1.51 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.196 -0.94 . . . . 1.79 110.388 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.29 -18.09 6.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.23 -0.919 . . . . 2.19 110.23 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -110.46 88.07 2.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.934 . . . . 3.16 109.901 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.4 -32.36 48.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.206 -0.934 . . . . 4.15 110.631 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.46 -143.67 0.3 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.224 -0.922 . . . . 4.63 110.679 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 45.92 0.98 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.313 -0.867 . . . . 4.92 110.201 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 0.1 OUTLIER -143.86 58.71 1.36 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 3.85 110.325 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' B' ' 16' ' ' ARG . 3.8 t0 178.88 -30.27 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 5.59 110.35 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -61.83 -65.8 0.63 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.369 -0.832 . . . . 4.22 110.493 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.78 HG22 HD22 ' A' ' 44' ' ' LEU . 10.8 pt -51.25 -46.41 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 120.824 -1.172 . . . . 1.99 109.959 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.467 ' HA ' ' HB2' ' B' ' 23' ' ' PHE . 23.8 mtpt -41.14 -59.51 1.48 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.943 . . . . 2.83 109.586 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' B' ' 20' ' ' LYS . 84.2 m-20 -44.75 -46.41 10.47 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.427 -0.953 . . . . 2.72 108.427 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.532 ' CB ' ' HB3' ' A' ' 44' ' ' LEU . 1.2 t -70.69 -47.68 58.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.594 -0.691 . . . . 1.82 109.301 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.969 ' CE1' HD21 ' A' ' 44' ' ' LEU . 4.9 m-30 -44.09 -67.44 0.28 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.739 -0.837 . . . . 1.62 108.739 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' B' ' 23' ' ' PHE . 64.7 m80 -40.44 -54.29 2.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.63 -0.669 . . . . 2.41 109.833 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.575 ' HB3' HG21 ' A' ' 48' ' ' THR . 0.2 OUTLIER -61.75 -37.79 85.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.161 -0.962 . . . . 1.36 109.391 179.146 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.816 ' HB3' HG21 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -69.6 -51.19 37.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.512 -0.742 . . . . 1.63 109.575 179.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -50.55 -36.79 36.03 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.251 -0.905 . . . . 2.45 108.562 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.92 -19.6 65.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.66 -0.867 . . . . 1.76 108.66 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 26' ' ' LEU . 11.4 m -63.87 -62.74 1.45 Allowed 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.675 -0.861 . . . . 1.24 108.675 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' B' ' 33' ' ' LEU . 8.4 t -108.5 102.12 45.9 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 119.157 -1.017 . . . . 0.85 109.789 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.543 ' O ' ' HB2' ' B' ' 32' ' ' SER . 40.1 Cg_endo -67.2 118.77 5.83 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.991 1.521 . . . . 1.77 110.722 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.543 ' HB2' ' O ' ' B' ' 31' ' ' PRO . 0.4 OUTLIER 68.67 -8.67 0.61 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 116.063 -0.517 . . . . 2.04 110.916 -179.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.695 ' HA ' HG12 ' B' ' 30' ' ' VAL . 1.2 mt 54.72 16.51 1.41 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 123.035 1.398 . . . . 1.43 111.529 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' B' ' 33' ' ' LEU . 1.3 tp60 41.14 62.79 1.37 Allowed 'General case' 0 C--N 1.261 -3.28 0 CA-C-N 113.771 -1.559 . . . . 3.34 109.402 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' B' ' 36' ' ' GLU . . . 112.07 22.16 6.02 Favored Glycine 0 N--CA 1.483 1.833 0 N-CA-C 108.864 -1.694 . . . . 2.06 108.864 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.536 ' HB3' ' HB2' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -33.55 159.0 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.822 0.82 . . . . 2.87 111.676 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' B' ' 36' ' ' GLU . 20.4 ptmt 171.92 -16.32 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 116.115 -0.493 . . . . 3.77 109.677 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' B' ' 45' ' ' ASP . . . -32.38 -93.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.641 -0.662 . . . . 2.2 111.885 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 1.6 p 163.84 160.57 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.433 -0.792 . . . . 2.64 111.026 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.562 ' HD3' ' N ' ' B' ' 41' ' ' ALA . 0.0 OUTLIER 41.72 -101.85 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.458 -0.776 . . . . 4.22 111.001 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.885 ' HB1' ' CD1' ' B' ' 43' ' ' ILE . . . -78.91 -35.36 43.61 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 120.262 -1.524 . . . . 2.0 107.283 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.585 ' HA ' ' HB3' ' B' ' 38' ' ' ALA . 13.0 mt-30 74.94 -18.49 0.43 Allowed 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.36 -0.836 . . . . 2.48 111.707 178.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.885 ' CD1' ' HB1' ' B' ' 41' ' ' ALA . 0.2 OUTLIER -79.06 -20.32 12.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 120.697 -1.252 . . . . 2.4 108.921 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.951 HD21 ' CE1' ' A' ' 23' ' ' PHE . 5.7 mp -68.9 -47.68 65.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.063 -1.023 . . . . 1.55 108.555 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.818 ' HB2' ' HB1' ' B' ' 38' ' ' ALA . 0.2 OUTLIER -51.81 -48.79 63.73 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.623 -0.881 . . . . 2.49 108.623 178.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.66 ' HZ3' HD13 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -75.47 -40.55 57.23 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.39 -0.924 . . . . 2.14 109.598 178.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.787 ' HA ' HD11 ' A' ' 51' ' ' ILE . . . -50.5 -47.68 57.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.387 -0.82 . . . . 0.71 109.773 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.798 HG23 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -65.48 -44.2 87.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.432 -0.792 . . . . 2.02 110.003 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' B' ' 53' ' ' TYR . 37.6 mm-40 -62.09 -56.69 16.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.259 -0.901 . . . . 2.27 110.083 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' B' ' 54' ' ' MET . 2.7 m-30 -52.45 -64.68 0.74 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.121 -0.987 . . . . 2.36 109.827 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.791 HD11 ' HA ' ' A' ' 47' ' ' ALA . 62.7 mt -41.92 -41.7 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.885 . . . . 1.33 110.467 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' B' ' 48' ' ' THR . 2.9 tt0 -80.29 -73.07 0.38 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.054 -1.029 . . . . 2.49 110.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -44.71 -46.27 10.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.304 -0.873 . . . . 1.48 109.971 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.485 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.3 OUTLIER -66.71 -55.27 15.85 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.96 110.474 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' B' ' 51' ' ' ILE . 1.3 ttp180 -41.56 -71.14 0.09 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.294 -0.879 . . . . 2.53 110.612 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -50.61 -28.85 9.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.215 -0.928 . . . . 3.1 110.357 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' B' ' 54' ' ' MET . 0.1 OUTLIER -71.2 -39.11 71.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.176 -0.953 . . . . 1.52 110.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.75 HG22 HG22 ' A' ' 58' ' ' VAL . 99.0 t -65.42 -46.73 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.86 110.141 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -56.78 -60.6 3.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 1.96 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 61' ' ' LEU . 98.0 m -52.14 -61.02 2.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 0.84 110.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.553 HD22 HD12 ' A' ' 65' ' ' ILE . 7.1 mt -42.71 -46.93 5.27 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -0.881 . . . . 1.06 110.247 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.53 ' HA ' HG13 ' B' ' 65' ' ' ILE . 5.1 tm0? -57.45 -48.47 79.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 1.52 110.509 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -35.28 30.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 1.5 110.223 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -72.49 -21.94 61.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 1.39 110.176 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' B' ' 62' ' ' GLN . 1.1 mt -83.58 -47.25 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.215 -0.928 . . . . 0.64 109.676 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -44.99 81.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 1.77 109.8 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -63.2 -55.51 24.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.353 -0.842 . . . . 1.88 109.933 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' B' ' 71' ' ' GLN . 97.2 mt -60.25 -44.59 95.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.245 -0.91 . . . . 1.07 110.248 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.518 ' HA ' HD22 ' A' ' 68' ' ' LEU . 24.6 ttmt -48.86 -54.34 15.69 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.188 -0.945 . . . . 2.25 110.486 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.797 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 0.0 OUTLIER -60.32 -40.51 90.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 2.75 110.405 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.837 ' C ' HD12 ' B' ' 75' ' ' LEU . 40.7 mm-40 -50.21 -81.52 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 2.0 110.216 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -40.18 -29.2 0.07 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.328 -0.857 . . . . 0.7 110.28 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' B' ' 70' ' ' ARG . . . -59.55 -64.72 0.84 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.919 . . . . 0.64 109.73 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 71' ' ' GLN . 0.8 OUTLIER -77.39 -26.09 51.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 1.3 109.581 179.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.882 ' HB3' HD22 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -60.0 -47.97 83.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.422 -0.799 . . . . 0.52 109.72 179.558 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.488 ' HA ' ' HB ' ' B' ' 79' ' ' VAL . 52.0 tt0 -72.52 -33.56 66.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.499 -0.75 . . . . 1.35 109.842 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.555 ' O ' ' HB3' ' B' ' 81' ' ' ALA . 1.6 mm-40 -58.56 -14.93 9.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 2.1 109.989 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.48 ' O ' ' HB3' ' B' ' 82' ' ' LEU . 2.6 tp60 -106.51 -36.92 6.64 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.841 -1.17 . . . . 1.98 107.841 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.672 HG23 HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -66.03 -17.98 23.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 108.779 -0.823 . . . . 0.77 108.779 178.292 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' B' ' 81' ' ' ALA . 0.0 OUTLIER -109.28 -24.96 10.83 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.468 -0.77 . . . . 2.75 109.855 179.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' B' ' 77' ' ' GLN . . . -101.61 17.17 23.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.269 -0.894 . . . . 1.15 110.147 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.958 HD13 ' O ' ' B' ' 82' ' ' LEU . 1.1 tm? -156.63 33.71 0.31 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.272 -0.892 . . . . 1.08 110.105 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.86 -172.43 0.83 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.925 -1.11 . . . . 2.26 110.225 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.6 -161.45 13.6 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.616 -1.393 . . . . 1.76 109.616 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.434 ' O ' ' N ' ' B' ' 87' ' ' CYS . 18.8 m -92.79 134.29 35.21 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.261 -1.141 . . . . 3.11 110.174 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' B' ' 85' ' ' SER . . . -44.46 99.63 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.564 -1.415 . . . . 2.16 109.564 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' B' ' 85' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.172 -1.193 . . . . 3.46 110.296 179.977 . . . . . . . . 2 2 . 1 stop_ save_