data_2rlt_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 2rlt _Structure_validation_residue.Date_analyzed 2016-10-08 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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.511 -1.436 . . . . 12.54 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.96 68.9 3.87 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 O-C-N 124.062 1.559 . . . . 12.36 110.412 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.86 -83.87 1.62 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.559 -1.416 . . . . 10.14 109.559 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.69 103.05 0.2 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.552 -1.419 . . . . 9.11 109.552 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 p -101.47 135.28 19.86 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.217 -1.167 . . . . 7.51 110.201 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -73.47 -60.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 O-C-N 123.999 1.526 . . . . 7.76 110.473 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.1 136.74 10.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.515 -1.434 . . . . 5.15 109.515 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.7 43.43 0.24 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.563 -1.415 . . . . 4.15 109.563 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 2.6 mm? -83.88 -48.21 10.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -1.159 . . . . 5.9 110.101 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 41.23 50.68 3.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.325 -0.859 . . . . 3.88 110.253 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.585 ' CA ' ' HA ' ' A' ' 40' ' ' GLU . 9.3 ptpt -128.35 -1.77 5.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.894 . . . . 4.47 110.269 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.672 ' HA ' ' HB3' ' A' ' 39' ' ' LEU . 2.9 mtm180 -156.99 88.45 1.03 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.222 -0.924 . . . . 4.92 109.876 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.901 ' HB3' ' HB2' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -80.69 12.97 2.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.107 -0.995 . . . . 3.24 110.655 -179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.619 ' HB1' ' O ' ' A' ' 13' ' ' HIS . . . 168.76 132.78 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.583 -0.847 . . . . 2.19 110.616 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -69.6 69.37 0.27 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 106.502 -1.666 . . . . 5.52 106.502 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.619 ' CG1' ' CB ' ' A' ' 51' ' ' PRO . 10.3 m -110.75 99.23 8.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 CA-C-O 121.827 0.823 . . . . 3.96 111.058 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TPO . . . . . 0.807 ' HA ' HG21 ' A' ' 35' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.78 HG13 ' CE1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -68.97 135.35 28.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.668 0 CA-C-N 110.799 -2.909 . . . . 2.2 111.064 -177.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.1 mtmt -97.21 68.28 2.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.671 -1.233 . . . . 4.11 107.671 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.789 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 15.0 m-85 -132.05 69.13 1.48 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.217 -1.031 . . . . 2.24 108.217 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -114.98 19.82 15.52 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.676 -0.81 . . . . 2.74 110.282 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . 2.4 ttt180 -150.54 92.2 1.82 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.257 -0.902 . . . . 6.38 110.273 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.538 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 11.6 tpp180 -175.42 169.95 3.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.255 -0.903 . . . . 6.49 110.243 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LEU . 1.5 mp0 -77.5 -20.69 53.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 4.32 110.27 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.589 ' CD2' ' CD1' ' A' ' 60' ' ' LEU . 3.6 pp -51.66 -175.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.268 -0.895 . . . . 2.62 110.051 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' C ' ' HD3' ' A' ' 27' ' ' ARG . 1.1 mp0 -134.41 17.51 3.68 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.129 -0.982 . . . . 2.83 110.522 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.581 ' CG ' ' CD1' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -115.78 18.11 15.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.126 -0.984 . . . . 4.05 110.31 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.789 ' CB ' ' O ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -79.05 -56.26 4.51 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.166 -0.959 . . . . 4.78 110.666 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.586 ' CD2' ' NE ' ' A' ' 28' ' ' ARG . 3.9 mm? -52.84 -43.65 66.16 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.522 -1.288 . . . . 3.61 107.522 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.707 ' O ' ' HB3' ' A' ' 34' ' ' TRP . 1.3 t0 -69.12 -23.59 64.0 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.488 -0.93 . . . . 2.43 108.488 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.702 ' CG2' HG13 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -55.5 -55.36 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.41 -0.806 . . . . 2.07 109.645 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.674 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 66.3 mt-10 -72.06 -36.17 69.51 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.024 -1.047 . . . . 2.39 110.364 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -75.28 -34.31 61.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.313 -0.867 . . . . 4.35 111.559 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.757 ' CG ' ' N ' ' A' ' 35' ' ' ILE . 1.5 p-90 -70.34 -50.21 41.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.761 -1.212 . . . . 1.66 111.372 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.807 HG21 ' HA ' ' A' ' 17' ' ' TPO . 0.3 OUTLIER -71.16 -46.21 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.802 -1.186 . . . . 2.28 111.366 -177.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 33.9 t0 -56.41 -43.37 79.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.736 -1.227 . . . . 2.86 109.485 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 40' ' ' GLU . . . -70.99 -21.69 78.33 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 108.81 -1.716 . . . . 2.18 108.81 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.744 ' CG ' ' CD2' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -66.16 -69.03 0.33 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.476 -1.014 . . . . 2.76 109.517 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.719 HD12 ' CE1' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -52.8 -26.97 16.04 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 118.666 -1.214 . . . . 1.98 109.011 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.585 ' HA ' ' CA ' ' A' ' 11' ' ' LYS . 11.5 tp10 -62.08 -34.73 76.85 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.225 -0.99 . . . . 3.03 108.76 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.602 ' CG ' ' CG ' ' A' ' 82' ' ' PRO . 0.7 OUTLIER -91.7 -70.36 0.69 Allowed 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.902 0.858 . . . . 2.55 109.326 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.7 ' C ' ' CD2' ' A' ' 43' ' ' TYR . 2.1 tp -15.73 -94.05 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.653 -0.703 . . . . 2.05 111.681 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.7 ' CD2' ' C ' ' A' ' 42' ' ' LEU . 10.5 p90 167.15 -42.91 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.935 -1.103 . . . . 2.19 112.231 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.901 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 4.8 tpt85 56.17 107.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.713 -1.242 . . . . 3.36 110.0 -177.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.54 ' HA2' ' NH2' ' A' ' 44' ' ' ARG . . . 130.58 5.5 4.05 Favored Glycine 0 N--CA 1.492 2.42 0 C-N-CA 119.284 -1.436 . . . . 2.26 110.11 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.651 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -148.13 -58.3 0.24 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.229 -1.159 . . . . 3.01 109.889 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.629 ' HB2' ' CZ ' ' A' ' 43' ' ' TYR . 6.4 mm-40 -118.41 -91.63 0.55 Allowed 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.097 -1.002 . . . . 2.25 110.869 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.938 ' O ' ' N ' ' A' ' 50' ' ' MET . . . -47.84 -14.02 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.627 -0.671 . . . . 1.82 111.423 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.674 ' C ' ' O ' ' A' ' 48' ' ' ALA . 19.0 t0 -14.4 -39.95 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.447 -0.783 . . . . 2.58 110.814 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.938 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -75.01 168.41 27.81 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.387 -0.82 . . . . 2.9 110.218 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.619 ' CB ' ' CG1' ' A' ' 16' ' ' VAL . 44.5 Cg_endo -70.39 162.36 42.66 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 123.607 1.32 . . . . 2.15 111.587 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.59 ' HB3' ' CE1' ' A' ' 86' ' ' PHE . 1.7 t0 -170.33 105.84 0.3 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.235 -0.916 . . . . 1.9 111.335 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.69 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -170.39 115.61 0.49 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.991 -1.068 . . . . 2.22 110.325 179.237 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.69 ' CG1' ' O ' ' A' ' 53' ' ' GLU . 33.1 m -163.92 -24.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.228 -0.92 . . . . 1.5 112.132 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.736 ' ND2' ' HA ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -38.94 -64.28 0.46 Allowed 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.061 -1.025 . . . . 1.84 112.911 -178.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.725 HD12 ' H ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -41.7 -27.19 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.098 -1.001 . . . . 2.37 112.336 -178.287 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.725 ' H ' HD12 ' A' ' 56' ' ' ILE . 51.8 t0 -57.86 -54.28 48.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.772 -1.205 . . . . 1.97 110.615 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.656 ' HB3' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -60.85 -63.18 1.39 Allowed 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.267 -0.896 . . . . 2.27 110.37 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.716 ' HB3' HD23 ' A' ' 94' ' ' LEU . 1.2 pp -58.01 -31.18 66.72 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.183 -0.948 . . . . 2.05 110.557 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.615 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -54.6 -51.0 66.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.841 -1.162 . . . . 2.35 109.338 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.16 73.37 0.13 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.415 -0.803 . . . . 2.83 110.198 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.683 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -141.53 -45.18 0.36 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.265 -0.897 . . . . 2.89 110.582 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.683 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER 84.1 15.05 0.26 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.546 -0.721 . . . . 3.45 109.081 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.612 ' O ' ' CE1' ' A' ' 98' ' ' HIS . 1.0 OUTLIER -119.05 132.85 56.07 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.581 -0.699 . . . . 2.52 110.097 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.778 ' O ' ' N ' ' A' ' 67' ' ' GLU . 10.9 pt-20 -34.78 152.14 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.394 -0.816 . . . . 2.94 110.694 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.777 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -43.83 67.85 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.289 0.566 . . . . 2.25 112.511 -179.452 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.778 ' N ' ' O ' ' A' ' 65' ' ' GLU . 3.5 tp10 -64.61 -45.2 87.93 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.943 -1.098 . . . . 2.28 109.022 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' OE1' ' A' ' 58' ' ' GLU . 4.8 mmt180 -62.44 -48.75 78.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.371 -0.83 . . . . 2.95 109.366 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.628 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.1 p -47.98 -34.92 9.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.247 -0.908 . . . . 1.81 108.96 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -72.35 -32.79 66.77 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.104 -1.038 . . . . 3.44 108.95 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 74' ' ' GLY . 1.7 tttt -61.4 -56.4 20.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.259 -0.9 . . . . 4.14 109.322 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.628 HG13 ' O ' ' A' ' 69' ' ' SER . 1.8 pp -51.83 -40.55 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.16 -1.052 . . . . 2.08 108.16 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.59 ' N ' HD11 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -61.27 -22.4 64.8 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.116 -1.068 . . . . 3.05 108.116 178.588 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -69.64 -48.72 41.25 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 108.472 -1.851 . . . . 1.32 108.472 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.534 ' CD2' HD11 ' A' ' 76' ' ' LEU . 2.7 tt -77.53 -35.04 53.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.265 -1.138 . . . . 2.24 109.86 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.617 ' CD2' ' CG ' ' A' ' 86' ' ' PHE . 0.7 OUTLIER -89.99 -9.55 48.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.416 -0.802 . . . . 1.51 109.898 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 73' ' ' GLN . 25.2 tttt -30.1 -40.42 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.659 -0.651 . . . . 3.78 110.596 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.561 ' O ' ' O ' ' A' ' 79' ' ' CYS . 0.6 OUTLIER -47.37 -61.27 1.99 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.319 -0.863 . . . . 1.93 110.276 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.561 ' O ' ' O ' ' A' ' 78' ' ' SER . 3.4 t 56.74 128.38 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.325 -0.859 . . . . 2.57 109.843 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.661 ' CG2' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -139.09 -3.53 1.58 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.004 -1.06 . . . . 2.27 111.532 -178.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 1.035 ' HB2' ' CD ' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -161.37 -123.99 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 120.844 -1.16 . . . . 2.2 109.927 -178.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 1.035 ' CD ' ' HB2' ' A' ' 81' ' ' ASN . 41.9 Cg_endo -67.73 10.42 0.29 Allowed 'Trans proline' 0 N--CA 1.482 0.797 0 CA-C-N 119.627 0.903 . . . . 2.35 110.802 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.58 ' CG2' HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -40.7 -30.03 0.11 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.18 -0.95 . . . . 1.7 108.819 179.063 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -43.39 -30.25 0.52 Allowed 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.921 -0.77 . . . . 2.41 108.921 178.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.556 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 9.6 m-20 -73.69 -55.96 5.61 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.53 -0.731 . . . . 2.95 109.535 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.744 ' CD2' ' CG ' ' A' ' 38' ' ' ARG . 1.2 t80 -48.9 -55.32 12.1 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.121 -0.987 . . . . 1.52 110.202 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.521 ' CG1' ' HG3' ' A' ' 73' ' ' GLN . 4.1 t -63.64 -47.64 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.121 -0.987 . . . . 1.63 110.485 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.551 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -69.86 -26.87 64.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.092 -1.005 . . . . 3.62 110.571 -179.628 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.627 ' HB3' ' CE3' ' A' ' 34' ' ' TRP . 8.0 tp10 -66.92 -61.33 2.0 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.802 -1.186 . . . . 2.13 109.417 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.736 ' HA ' ' ND2' ' A' ' 55' ' ' ASN . 1.1 mt -49.59 -42.03 43.44 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 120.975 -1.078 . . . . 1.86 108.629 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.535 ' CD1' ' HG3' ' A' ' 66' ' ' GLU . 4.7 tp -70.32 -47.29 61.75 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.346 -0.846 . . . . 2.66 109.56 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 88' ' ' GLN . 4.3 t -53.85 -40.93 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.419 -0.801 . . . . 2.4 110.151 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.55 ' HB2' ' OD1' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -62.52 -47.13 85.29 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.023 -1.048 . . . . 2.34 109.103 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.777 ' CD2' ' HA ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -65.89 -11.85 50.15 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.183 -0.948 . . . . 2.48 109.872 179.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.455 ' HD2' ' OXT' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -76.07 5.31 6.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.28 -0.887 . . . . 4.6 109.971 179.408 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.435 ' HA3' ' NH1' ' A' ' 27' ' ' ARG . . . -90.12 -40.44 5.82 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.1 -1.6 . . . . 1.65 109.1 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.625 ' CD1' ' CD1' ' A' ' 59' ' ' LEU . 2.7 mp -101.72 -55.47 2.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -1.11 . . . . 2.26 110.021 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.612 ' CE1' ' O ' ' A' ' 64' ' ' SER . 54.2 m-70 -62.03 -11.86 15.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 2.46 110.294 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.455 ' OXT' ' HD2' ' A' ' 95' ' ' ARG . 3.7 ttmt . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.036 -0.983 . . . . 6.26 110.268 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.511 -1.436 . . . . 12.31 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.96 68.9 3.87 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 O-C-N 124.062 1.559 . . . . 11.83 110.412 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.86 -83.87 1.62 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.559 -1.416 . . . . 10.06 109.559 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.69 103.05 0.2 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.552 -1.419 . . . . 8.99 109.552 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 p -101.47 135.28 19.86 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.217 -1.167 . . . . 7.4 110.201 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -73.47 -60.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 O-C-N 123.999 1.526 . . . . 7.02 110.473 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.1 136.74 10.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.515 -1.434 . . . . 4.87 109.515 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.7 43.43 0.24 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.563 -1.415 . . . . 3.79 109.563 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.758 ' N ' HD22 ' A' ' 9' ' ' LEU . 2.6 mm? -83.88 -48.21 10.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -1.159 . . . . 5.52 110.101 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HB3' ' HA ' ' A' ' 43' ' ' TYR . 1.7 mm-40 41.23 50.68 3.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.325 -0.859 . . . . 3.88 110.253 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.606 ' CA ' ' HA ' ' A' ' 40' ' ' GLU . 9.3 ptpt -128.35 -1.77 5.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.894 . . . . 4.18 110.269 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.739 ' HA ' ' HB3' ' A' ' 39' ' ' LEU . 2.9 mtm180 -156.99 88.45 1.03 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.222 -0.924 . . . . 4.39 109.876 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.914 ' HB3' ' HB2' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -80.69 12.97 2.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.107 -0.995 . . . . 2.64 110.655 -179.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.791 ' O ' HG22 ' A' ' 16' ' ' VAL . . . 168.76 132.78 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.583 -0.847 . . . . 2.01 110.616 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -69.6 69.37 0.27 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 106.502 -1.666 . . . . 4.91 106.502 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.923 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.3 m -110.75 99.23 8.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 CA-C-O 121.827 0.823 . . . . 3.49 111.058 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TPO . . . . . 0.82 ' HA ' HG21 ' A' ' 35' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.913 HG12 ' CE1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -68.97 135.35 28.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.668 0 CA-C-N 110.799 -2.909 . . . . 1.63 111.064 -177.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.1 mtmt -97.21 68.28 2.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.671 -1.233 . . . . 3.77 107.671 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.913 ' CE1' HG12 ' A' ' 18' ' ' VAL . 15.0 m-85 -132.05 69.13 1.48 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.217 -1.031 . . . . 1.86 108.217 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -114.98 19.82 15.52 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.676 -0.81 . . . . 2.74 110.282 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . 2.4 ttt180 -150.54 92.2 1.82 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.257 -0.902 . . . . 5.82 110.273 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.551 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 11.6 tpp180 -175.42 169.95 3.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.255 -0.903 . . . . 5.9 110.243 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LEU . 1.5 mp0 -77.5 -20.69 53.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 4.32 110.27 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.989 HD21 HD12 ' A' ' 60' ' ' LEU . 3.6 pp -51.66 -175.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.268 -0.895 . . . . 2.2 110.051 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' C ' ' HD3' ' A' ' 27' ' ' ARG . 1.1 mp0 -134.41 17.51 3.68 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.129 -0.982 . . . . 2.48 110.522 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.591 ' CG ' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -115.78 18.11 15.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.126 -0.984 . . . . 3.42 110.31 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.789 ' CB ' ' O ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -79.05 -56.26 4.51 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.166 -0.959 . . . . 4.2 110.666 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.586 ' CD2' ' NE ' ' A' ' 28' ' ' ARG . 3.9 mm? -52.84 -43.65 66.16 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.522 -1.288 . . . . 3.14 107.522 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.709 ' O ' ' HB3' ' A' ' 34' ' ' TRP . 1.3 t0 -69.12 -23.59 64.0 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.488 -0.93 . . . . 2.43 108.488 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.022 HG23 ' CG2' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -55.5 -55.36 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.41 -0.806 . . . . 1.52 109.645 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.681 ' H ' HG12 ' A' ' 31' ' ' VAL . 66.3 mt-10 -72.06 -36.17 69.51 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.024 -1.047 . . . . 2.39 110.364 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -75.28 -34.31 61.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.313 -0.867 . . . . 3.89 111.559 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.765 ' HH2' HD11 ' A' ' 90' ' ' LEU . 1.5 p-90 -70.34 -50.21 41.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.761 -1.212 . . . . 1.65 111.372 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -71.16 -46.21 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.802 -1.186 . . . . 1.65 111.366 -177.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 33.9 t0 -56.41 -43.37 79.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.736 -1.227 . . . . 2.86 109.485 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 40' ' ' GLU . . . -70.99 -21.69 78.33 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 108.81 -1.716 . . . . 2.02 108.81 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.744 ' CG ' ' CD2' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -66.16 -69.03 0.33 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.476 -1.014 . . . . 2.34 109.517 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.855 HD11 ' CE1' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -52.8 -26.97 16.04 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 118.666 -1.214 . . . . 1.92 109.011 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.606 ' HA ' ' CA ' ' A' ' 11' ' ' LYS . 11.5 tp10 -62.08 -34.73 76.85 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.225 -0.99 . . . . 2.62 108.76 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.602 ' CG ' ' CG ' ' A' ' 82' ' ' PRO . 0.7 OUTLIER -91.7 -70.36 0.69 Allowed 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.902 0.858 . . . . 2.5 109.326 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.031 HD11 HG23 ' A' ' 83' ' ' THR . 2.1 tp -15.73 -94.05 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.653 -0.703 . . . . 2.02 111.681 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.795 ' CD2' ' ND2' ' A' ' 81' ' ' ASN . 10.5 p90 167.15 -42.91 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.935 -1.103 . . . . 2.18 112.231 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.914 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 4.8 tpt85 56.17 107.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.713 -1.242 . . . . 2.84 110.0 -177.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.554 ' HA2' ' NH2' ' A' ' 44' ' ' ARG . . . 130.58 5.5 4.05 Favored Glycine 0 N--CA 1.492 2.42 0 C-N-CA 119.284 -1.436 . . . . 2.24 110.11 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.668 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -148.13 -58.3 0.24 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.229 -1.159 . . . . 2.68 109.889 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.647 ' HB2' ' CZ ' ' A' ' 43' ' ' TYR . 6.4 mm-40 -118.41 -91.63 0.55 Allowed 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.097 -1.002 . . . . 2.25 110.869 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.938 ' O ' ' N ' ' A' ' 50' ' ' MET . . . -47.84 -14.02 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.627 -0.671 . . . . 1.52 111.423 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.81 ' C ' ' HE3' ' A' ' 50' ' ' MET . 19.0 t0 -14.4 -39.95 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.447 -0.783 . . . . 2.58 110.814 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 1.051 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -75.01 168.41 27.81 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.387 -0.82 . . . . 2.51 110.218 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.829 ' CB ' HG11 ' A' ' 16' ' ' VAL . 44.5 Cg_endo -70.39 162.36 42.66 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 123.607 1.32 . . . . 1.91 111.587 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.816 ' CB ' HD13 ' A' ' 76' ' ' LEU . 1.7 t0 -170.33 105.84 0.3 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.235 -0.916 . . . . 1.9 111.335 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.691 ' C ' HG13 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -170.39 115.61 0.49 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.991 -1.068 . . . . 2.22 110.325 179.237 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.108 HG22 HG23 ' A' ' 72' ' ' ILE . 33.1 m -163.92 -24.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.228 -0.92 . . . . 1.48 112.132 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.837 ' HB3' HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -38.94 -64.28 0.46 Allowed 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.061 -1.025 . . . . 1.84 112.911 -178.091 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.022 ' CG2' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -41.7 -27.19 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.098 -1.001 . . . . 1.88 112.336 -178.287 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.669 ' HA ' ' HE2' ' A' ' 20' ' ' TYR . 51.8 t0 -57.86 -54.28 48.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.772 -1.205 . . . . 1.97 110.615 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.834 ' HB3' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -60.85 -63.18 1.39 Allowed 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.267 -0.896 . . . . 2.27 110.37 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.843 HD23 ' HG ' ' A' ' 94' ' ' LEU . 1.2 pp -58.01 -31.18 66.72 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.183 -0.948 . . . . 1.51 110.557 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.989 HD12 HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -54.6 -51.0 66.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.841 -1.162 . . . . 1.83 109.338 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.16 73.37 0.13 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.415 -0.803 . . . . 2.83 110.198 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.717 HD22 ' HG3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -141.53 -45.18 0.36 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.265 -0.897 . . . . 2.39 110.582 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.683 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER 84.1 15.05 0.26 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.546 -0.721 . . . . 3.45 109.081 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.638 ' HB2' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -119.05 132.85 56.07 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.581 -0.699 . . . . 2.19 110.097 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.778 ' O ' ' N ' ' A' ' 67' ' ' GLU . 10.9 pt-20 -34.78 152.14 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.394 -0.816 . . . . 2.94 110.694 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 1.088 ' CB ' HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -43.83 67.85 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.289 0.566 . . . . 2.25 112.511 -179.452 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.778 ' N ' ' O ' ' A' ' 65' ' ' GLU . 3.5 tp10 -64.61 -45.2 87.93 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.943 -1.098 . . . . 2.28 109.022 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.587 ' HB3' HG23 ' A' ' 54' ' ' VAL . 4.8 mmt180 -62.44 -48.75 78.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.371 -0.83 . . . . 2.46 109.366 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.633 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.1 p -47.98 -34.92 9.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.247 -0.908 . . . . 1.42 108.96 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -72.35 -32.79 66.77 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.104 -1.038 . . . . 2.89 108.95 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.588 ' HB3' HG21 ' A' ' 54' ' ' VAL . 1.7 tttt -61.4 -56.4 20.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.259 -0.9 . . . . 3.65 109.322 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.168 ' CD1' HD13 ' A' ' 90' ' ' LEU . 1.8 pp -51.83 -40.55 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.16 -1.052 . . . . 1.56 108.16 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.848 ' CG ' HG13 ' A' ' 87' ' ' VAL . 0.5 OUTLIER -61.27 -22.4 64.8 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.116 -1.068 . . . . 2.66 108.116 178.588 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -69.64 -48.72 41.25 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 108.472 -1.851 . . . . 1.27 108.472 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.051 HD11 ' HB3' ' A' ' 50' ' ' MET . 2.7 tt -77.53 -35.04 53.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.265 -1.138 . . . . 1.78 109.86 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.007 HD12 HD23 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -89.99 -9.55 48.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.416 -0.802 . . . . 1.12 109.898 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 73' ' ' GLN . 25.2 tttt -30.1 -40.42 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.659 -0.651 . . . . 3.39 110.596 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.561 ' O ' ' O ' ' A' ' 79' ' ' CYS . 0.6 OUTLIER -47.37 -61.27 1.99 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.319 -0.863 . . . . 1.61 110.276 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.911 ' HA ' HG21 ' A' ' 83' ' ' THR . 3.4 t 56.74 128.38 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.325 -0.859 . . . . 2.25 109.843 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.693 HG23 ' ND2' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -139.09 -3.53 1.58 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.004 -1.06 . . . . 2.27 111.532 -178.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 1.052 ' HB2' ' CD ' ' A' ' 82' ' ' PRO . 2.5 p30 -161.37 -123.99 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 120.844 -1.16 . . . . 2.2 109.927 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 1.052 ' CD ' ' HB2' ' A' ' 81' ' ' ASN . 41.9 Cg_endo -67.73 10.42 0.29 Allowed 'Trans proline' 0 N--CA 1.482 0.797 0 CA-C-N 119.627 0.903 . . . . 2.12 110.802 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 1.031 HG23 HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -40.7 -30.03 0.11 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.18 -0.95 . . . . 1.53 108.819 179.063 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -43.39 -30.25 0.52 Allowed 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.921 -0.77 . . . . 2.05 108.921 178.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.571 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 9.6 m-20 -73.69 -55.96 5.61 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.53 -0.731 . . . . 2.51 109.535 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 1.087 ' O ' HD12 ' A' ' 90' ' ' LEU . 1.2 t80 -48.9 -55.32 12.1 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.121 -0.987 . . . . 1.23 110.202 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.848 HG13 ' CG ' ' A' ' 73' ' ' GLN . 4.1 t -63.64 -47.64 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.121 -0.987 . . . . 1.18 110.485 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -69.86 -26.87 64.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.092 -1.005 . . . . 3.17 110.571 -179.628 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.632 ' HB3' ' CE3' ' A' ' 34' ' ' TRP . 8.0 tp10 -66.92 -61.33 2.0 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.802 -1.186 . . . . 2.13 109.417 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.168 HD13 ' CD1' ' A' ' 72' ' ' ILE . 1.1 mt -49.59 -42.03 43.44 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 120.975 -1.078 . . . . 1.3 108.629 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.572 HD11 ' HG3' ' A' ' 66' ' ' GLU . 4.7 tp -70.32 -47.29 61.75 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.346 -0.846 . . . . 2.11 109.56 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 88' ' ' GLN . 4.3 t -53.85 -40.93 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.419 -0.801 . . . . 1.86 110.151 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.65 ' C ' HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -62.52 -47.13 85.29 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.023 -1.048 . . . . 1.8 109.103 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.088 HD13 ' CB ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -65.89 -11.85 50.15 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.183 -0.948 . . . . 1.94 109.872 179.661 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.44 ' HD2' ' OXT' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -76.07 5.31 6.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.28 -0.887 . . . . 4.0 109.971 179.408 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.463 ' HA3' ' NH1' ' A' ' 27' ' ' ARG . . . -90.12 -40.44 5.82 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.1 -1.6 . . . . 1.65 109.1 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.625 ' CD1' ' CD1' ' A' ' 59' ' ' LEU . 2.7 mp -101.72 -55.47 2.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -1.11 . . . . 2.26 110.021 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.782 ' NE2' HD23 ' A' ' 94' ' ' LEU . 54.2 m-70 -62.03 -11.86 15.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 2.46 110.294 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.44 ' OXT' ' HD2' ' A' ' 95' ' ' ARG . 3.7 ttmt . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.036 -0.983 . . . . 5.99 110.268 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.511 -1.436 . . . . 12.31 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.96 68.9 3.87 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 O-C-N 124.062 1.559 . . . . 11.83 110.412 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.86 -83.87 1.62 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.559 -1.416 . . . . 10.06 109.559 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.69 103.05 0.2 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.552 -1.419 . . . . 8.9900000000000002 109.552 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 p -101.47 135.28 19.86 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.217 -1.167 . . . . 7.4000000000000004 110.201 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -73.47 -60.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 O-C-N 123.999 1.526 . . . . 7.0199999999999996 110.473 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.1 136.74 10.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.515 -1.434 . . . . 4.8700000000000001 109.515 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.7 43.43 0.24 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.563 -1.415 . . . . 3.79 109.563 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.758 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.6 mm? -83.88 -48.21 10.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -1.159 . . . . 5.5199999999999996 110.101 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HB3' ' HA ' ' A' ' 43' ' ' TYR . 0.0 OUTLIER 41.23 50.68 3.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.325 -0.859 . . . . 3.8799999999999999 110.253 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.606 ' CA ' ' HA ' ' A' ' 40' ' ' GLU . 9.3 ptpt -128.35 -1.77 5.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.894 . . . . 4.1799999999999997 110.269 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.739 ' HA ' ' HB3' ' A' ' 39' ' ' LEU . 2.9 mtm180 -156.99 88.45 1.03 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.222 -0.924 . . . . 4.3899999999999997 109.876 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.914 ' HB3' ' HB2' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -80.69 12.97 2.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.107 -0.995 . . . . 2.6400000000000001 110.655 -179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.791 ' O ' HG22 ' A' ' 16' ' ' VAL . . . 168.76 132.78 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.583 -0.847 . . . . 2.0099999999999998 110.616 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -69.6 69.37 0.27 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 106.502 -1.666 . . . . 4.9100000000000001 106.502 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.923 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.3 m -110.75 99.23 8.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 CA-C-O 121.827 0.823 . . . . 3.4900000000000002 111.058 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TPO . . . . . 0.82 ' HA ' HG21 ' A' ' 35' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.913 HG12 ' CE1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -68.97 135.35 28.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.668 0 CA-C-N 110.799 -2.909 . . . . 1.6299999999999999 111.064 -177.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.1 mtmt -97.21 68.28 2.22 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.671 -1.233 . . . . 3.77 107.671 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.913 ' CE1' HG12 ' A' ' 18' ' ' VAL . 15.0 m-85 -132.05 69.13 1.48 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.217 -1.031 . . . . 1.8600000000000001 108.217 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -114.98 19.82 15.52 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.676 -0.81 . . . . 2.7400000000000002 110.282 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . 2.4 ttt180 -150.54 92.2 1.82 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.257 -0.902 . . . . 5.8200000000000003 110.273 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.551 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 11.6 tpp180 -175.42 169.95 3.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.255 -0.903 . . . . 5.9000000000000004 110.243 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 25' ' ' LEU . 1.5 mp0 -77.5 -20.69 53.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 4.3200000000000003 110.27 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.989 HD21 HD12 ' A' ' 60' ' ' LEU . 3.6 pp -51.66 -175.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.268 -0.895 . . . . 2.2000000000000002 110.051 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' C ' ' HD3' ' A' ' 27' ' ' ARG . 1.1 mp0 -134.41 17.51 3.68 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.129 -0.982 . . . . 2.48 110.522 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.591 ' CG ' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -115.78 18.11 15.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.126 -0.984 . . . . 3.4199999999999999 110.31 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.789 ' CB ' ' O ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -79.05 -56.26 4.51 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.166 -0.959 . . . . 4.2000000000000002 110.666 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.586 ' CD2' ' NE ' ' A' ' 28' ' ' ARG . 3.9 mm? -52.84 -43.65 66.16 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.522 -1.288 . . . . 3.1400000000000001 107.522 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.709 ' O ' ' HB3' ' A' ' 34' ' ' TRP . 1.3 t0 -69.12 -23.59 64.0 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.488 -0.93 . . . . 2.4300000000000002 108.488 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.022 HG23 ' CG2' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -55.5 -55.36 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.41 -0.806 . . . . 1.52 109.645 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.681 ' H ' HG12 ' A' ' 31' ' ' VAL . 66.3 mt-10 -72.06 -36.17 69.51 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.024 -1.047 . . . . 2.3900000000000001 110.364 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -75.28 -34.31 61.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.313 -0.867 . . . . 3.8900000000000001 111.559 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.765 ' HH2' HD11 ' A' ' 90' ' ' LEU . 1.5 p-90 -70.34 -50.21 41.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.761 -1.212 . . . . 1.6499999999999999 111.372 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -71.16 -46.21 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.802 -1.186 . . . . 1.6499999999999999 111.366 -177.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 33.9 t0 -56.41 -43.37 79.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.736 -1.227 . . . . 2.8599999999999999 109.485 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 40' ' ' GLU . . . -70.99 -21.69 78.33 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 108.81 -1.716 . . . . 2.02 108.81 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.744 ' CG ' ' CD2' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -66.16 -69.03 0.33 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.476 -1.014 . . . . 2.3399999999999999 109.517 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.855 HD11 ' CE1' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -52.8 -26.97 16.04 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 118.666 -1.214 . . . . 1.9199999999999999 109.011 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.606 ' HA ' ' CA ' ' A' ' 11' ' ' LYS . 11.5 tp10 -62.08 -34.73 76.85 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.225 -0.99 . . . . 2.6200000000000001 108.76 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.602 ' CG ' ' CG ' ' A' ' 82' ' ' PRO . 0.7 OUTLIER -91.7 -70.36 0.69 Allowed 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.902 0.858 . . . . 2.5 109.326 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.031 HD11 HG23 ' A' ' 83' ' ' THR . 2.1 tp -15.73 -94.05 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.653 -0.703 . . . . 2.02 111.681 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.7 ' CD2' ' C ' ' A' ' 42' ' ' LEU . 10.5 p90 167.15 -42.91 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.935 -1.103 . . . . 2.1800000000000002 112.231 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.914 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 4.8 tpt85 56.17 107.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.713 -1.242 . . . . 2.8399999999999999 110.0 -177.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.554 ' HA2' ' NH2' ' A' ' 44' ' ' ARG . . . 130.58 5.5 4.05 Favored Glycine 0 N--CA 1.492 2.42 0 C-N-CA 119.284 -1.436 . . . . 2.2400000000000002 110.11 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.668 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -148.13 -58.3 0.24 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.229 -1.159 . . . . 2.6800000000000002 109.889 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.647 ' HB2' ' CZ ' ' A' ' 43' ' ' TYR . 6.4 mm-40 -118.41 -91.63 0.55 Allowed 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.097 -1.002 . . . . 2.25 110.869 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.938 ' O ' ' N ' ' A' ' 50' ' ' MET . . . -47.84 -14.02 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.627 -0.671 . . . . 1.52 111.423 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.81 ' C ' ' HE3' ' A' ' 50' ' ' MET . 19.0 t0 -14.4 -39.95 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.447 -0.783 . . . . 2.5800000000000001 110.814 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 1.051 ' HB3' HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -75.01 168.41 27.81 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.387 -0.82 . . . . 2.5099999999999998 110.218 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.829 ' CB ' HG11 ' A' ' 16' ' ' VAL . 44.5 Cg_endo -70.39 162.36 42.66 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 123.607 1.32 . . . . 1.9099999999999999 111.587 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.816 ' CB ' HD13 ' A' ' 76' ' ' LEU . 1.7 t0 -170.33 105.84 0.3 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.235 -0.916 . . . . 1.8999999999999999 111.335 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.691 ' C ' HG13 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -170.39 115.61 0.49 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.991 -1.068 . . . . 2.2200000000000002 110.325 179.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.108 HG22 HG23 ' A' ' 72' ' ' ILE . 33.1 m -163.92 -24.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.228 -0.92 . . . . 1.48 112.132 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.837 ' HB3' HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -38.94 -64.28 0.46 Allowed 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.061 -1.025 . . . . 1.8400000000000001 112.911 -178.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.022 ' CG2' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -41.7 -27.19 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.098 -1.001 . . . . 1.8799999999999999 112.336 -178.287 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.669 ' HA ' ' HE2' ' A' ' 20' ' ' TYR . 51.8 t0 -57.86 -54.28 48.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.772 -1.205 . . . . 1.97 110.615 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.834 ' HB3' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -60.85 -63.18 1.39 Allowed 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.267 -0.896 . . . . 2.27 110.37 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.843 HD23 ' HG ' ' A' ' 94' ' ' LEU . 1.2 pp -58.01 -31.18 66.72 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.183 -0.948 . . . . 1.51 110.557 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.989 HD12 HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -54.6 -51.0 66.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.841 -1.162 . . . . 1.8300000000000001 109.338 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.16 73.37 0.13 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.415 -0.803 . . . . 2.8300000000000001 110.198 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.717 HD22 ' HG3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -141.53 -45.18 0.36 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.265 -0.897 . . . . 2.3900000000000001 110.582 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.683 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER 84.1 15.05 0.26 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.546 -0.721 . . . . 3.4500000000000002 109.081 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.638 ' HB2' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -119.05 132.85 56.07 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.581 -0.699 . . . . 2.1899999999999999 110.097 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.778 ' O ' ' N ' ' A' ' 67' ' ' GLU . 10.9 pt-20 -34.78 152.14 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.394 -0.816 . . . . 2.9399999999999999 110.694 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 1.088 ' CB ' HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -43.83 67.85 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.289 0.566 . . . . 2.25 112.511 -179.452 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.778 ' N ' ' O ' ' A' ' 65' ' ' GLU . 3.5 tp10 -64.61 -45.2 87.93 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.943 -1.098 . . . . 2.2799999999999998 109.022 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.587 ' HB3' HG23 ' A' ' 54' ' ' VAL . 4.8 mmt180 -62.44 -48.75 78.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.371 -0.83 . . . . 2.46 109.366 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.633 ' O ' HG13 ' A' ' 72' ' ' ILE . 1.1 p -47.98 -34.92 9.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.247 -0.908 . . . . 1.4199999999999999 108.96 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -72.35 -32.79 66.77 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.104 -1.038 . . . . 2.8900000000000001 108.95 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.588 ' HB3' HG21 ' A' ' 54' ' ' VAL . 1.7 tttt -61.4 -56.4 20.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.259 -0.9 . . . . 3.6499999999999999 109.322 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.168 ' CD1' HD13 ' A' ' 90' ' ' LEU . 1.8 pp -51.83 -40.55 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.16 -1.052 . . . . 1.5600000000000001 108.16 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.848 ' CG ' HG13 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -61.27 -22.4 64.8 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.116 -1.068 . . . . 2.6600000000000001 108.116 178.588 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -69.64 -48.72 41.25 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 108.472 -1.851 . . . . 1.27 108.472 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.051 HD11 ' HB3' ' A' ' 50' ' ' MET . 2.7 tt -77.53 -35.04 53.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.265 -1.138 . . . . 1.78 109.86 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.007 HD12 HD23 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -89.99 -9.55 48.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.416 -0.802 . . . . 1.1200000000000001 109.898 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 73' ' ' GLN . 25.2 tttt -30.1 -40.42 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.659 -0.651 . . . . 3.3900000000000001 110.596 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.561 ' O ' ' O ' ' A' ' 79' ' ' CYS . 0.6 OUTLIER -47.37 -61.27 1.99 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.319 -0.863 . . . . 1.6100000000000001 110.276 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.911 ' HA ' HG21 ' A' ' 83' ' ' THR . 3.4 t 56.74 128.38 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.325 -0.859 . . . . 2.25 109.843 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.661 ' CG2' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -139.09 -3.53 1.58 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.004 -1.06 . . . . 2.27 111.532 -178.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 1.052 ' HB2' ' CD ' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -161.37 -123.99 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 120.844 -1.16 . . . . 2.2000000000000002 109.927 -178.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 1.052 ' CD ' ' HB2' ' A' ' 81' ' ' ASN . 41.9 Cg_endo -67.73 10.42 0.29 Allowed 'Trans proline' 0 N--CA 1.482 0.797 0 CA-C-N 119.627 0.903 . . . . 2.1200000000000001 110.802 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 1.031 HG23 HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -40.7 -30.03 0.11 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.18 -0.95 . . . . 1.53 108.819 179.063 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -43.39 -30.25 0.52 Allowed 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.921 -0.77 . . . . 2.0499999999999998 108.921 178.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.571 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 9.6 m-20 -73.69 -55.96 5.61 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.53 -0.731 . . . . 2.5099999999999998 109.535 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 1.087 ' O ' HD12 ' A' ' 90' ' ' LEU . 1.2 t80 -48.9 -55.32 12.1 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.121 -0.987 . . . . 1.23 110.202 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.848 HG13 ' CG ' ' A' ' 73' ' ' GLN . 4.1 t -63.64 -47.64 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.121 -0.987 . . . . 1.1799999999999999 110.485 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -69.86 -26.87 64.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.092 -1.005 . . . . 3.1699999999999999 110.571 -179.628 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.632 ' HB3' ' CE3' ' A' ' 34' ' ' TRP . 8.0 tp10 -66.92 -61.33 2.0 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.802 -1.186 . . . . 2.1299999999999999 109.417 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.168 HD13 ' CD1' ' A' ' 72' ' ' ILE . 1.1 mt -49.59 -42.03 43.44 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 120.975 -1.078 . . . . 1.3 108.629 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.572 HD11 ' HG3' ' A' ' 66' ' ' GLU . 4.7 tp -70.32 -47.29 61.75 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.346 -0.846 . . . . 2.1099999999999999 109.56 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 88' ' ' GLN . 4.3 t -53.85 -40.93 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.419 -0.801 . . . . 1.8600000000000001 110.151 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.65 ' C ' HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -62.52 -47.13 85.29 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.023 -1.048 . . . . 1.8 109.103 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.088 HD13 ' CB ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -65.89 -11.85 50.15 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.183 -0.948 . . . . 1.9399999999999999 109.872 179.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.44 ' HD2' ' OXT' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -76.07 5.31 6.89 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.28 -0.887 . . . . 4.0 109.971 179.408 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.463 ' HA3' ' NH1' ' A' ' 27' ' ' ARG . . . -90.12 -40.44 5.82 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.1 -1.6 . . . . 1.6499999999999999 109.1 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.625 ' CD1' ' CD1' ' A' ' 59' ' ' LEU . 2.7 mp -101.72 -55.47 2.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -1.11 . . . . 2.2599999999999998 110.021 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.782 ' NE2' HD23 ' A' ' 94' ' ' LEU . 54.2 m-70 -62.03 -11.86 15.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 2.46 110.294 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.44 ' OXT' ' HD2' ' A' ' 95' ' ' ARG . 3.7 ttmt . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.036 -0.983 . . . . 5.9900000000000002 110.268 179.952 . . . . . . . . 1 1 . 1 stop_ save_