data_2j52_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 2j52 _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 full ' A' A ' 1' ' ' MET . . . . . 0.653 ' H1 ' ' CD ' ' A' ' 19' ' ' GLU . 12.1 mmt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.3 m -54.35 132.61 44.35 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.346 -0.846 . . . . 0.0 110.12 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -139.33 143.47 37.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.433 -0.792 . . . . 0.0 109.368 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 18.4 ttpp -129.8 137.85 50.71 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.227 -0.921 . . . . 0.0 110.169 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -131.33 135.5 47.31 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.59 -0.694 . . . . 0.0 110.09 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mt -90.83 109.4 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.614 -0.679 . . . . 0.0 109.551 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -79.32 74.98 5.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.004 -1.06 . . . . 0.0 109.4 179.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 55' ' ' THR . 15.9 t30 -91.0 68.7 6.21 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.168 -0.957 . . . . 0.0 109.514 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.602 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . . . -64.97 176.65 11.31 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.68 ' HZ3' ' C ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -57.13 -58.81 6.55 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.752 -1.44 . . . . 0.0 108.824 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.7 p -102.03 -47.78 4.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.488 -0.757 . . . . 0.0 109.056 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.34 123.41 20.26 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.429 -0.794 . . . . 0.0 109.837 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.602 ' NZ ' ' O ' ' A' ' 9' ' ' GLY . 2.7 mptt -125.75 119.24 27.41 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 7' ' ' LEU . . . -155.95 150.11 21.35 Favored Glycine 0 N--CA 1.498 2.822 0 C-N-CA 119.445 -1.36 . . . . 0.0 110.687 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.592 ' OE1' ' NZ ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -103.52 148.75 25.58 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.493 -1.004 . . . . 0.0 108.504 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 p -146.74 142.42 27.78 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.639 -1.288 . . . . 0.0 111.603 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -125.81 161.98 26.15 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -171.56 -177.35 2.02 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.095 -1.003 . . . . 0.0 110.611 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.653 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 1.6 tm-20 -118.07 161.8 19.24 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' N ' ' OE1' ' A' ' 19' ' ' GLU . . . -175.85 149.58 0.95 Allowed 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.436 ' CG2' ' H ' ' A' ' 22' ' ' ASP . 3.2 m -59.68 -65.37 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.901 -1.124 . . . . 0.0 109.49 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' H ' ' CG2' ' A' ' 21' ' ' VAL . 2.7 p30 -109.55 -159.44 0.68 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.427 -0.796 . . . . 0.0 110.01 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.72 -35.66 12.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.049 -1.032 . . . . 0.0 109.119 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . -57.74 -45.41 85.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.361 -0.837 . . . . 0.0 108.76 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.4 m -65.45 -48.81 71.42 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 -53.21 58.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.26 -0.9 . . . . 0.0 109.049 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 3.6 tm-20 -54.6 -42.5 71.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.336 -0.852 . . . . 0.0 109.132 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' NZ ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -61.15 -54.67 41.51 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -56.13 -44.23 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -66.35 -46.57 76.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.807 . . . . 0.0 109.05 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -58.22 -47.29 83.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.286 -0.884 . . . . 0.0 109.652 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -54.99 -67.48 0.27 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.514 -0.741 . . . . 0.0 109.361 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -50.16 -47.05 54.54 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.302 -0.874 . . . . 0.0 109.601 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.27 -48.74 68.04 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -48.48 71.87 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -52.13 -41.68 62.72 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.373 -0.83 . . . . 0.0 108.856 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.58 3.86 17.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.26 -0.9 . . . . 0.0 109.687 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.43 29.11 66.52 Favored Glycine 0 N--CA 1.499 2.861 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.83 124.67 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.541 -0.976 . . . . 0.0 110.11 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.499 ' CG ' ' HE1' ' A' ' 43' ' ' TRP . 9.3 t70 -169.68 -143.77 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.385 -0.822 . . . . 0.0 109.059 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.31 -93.01 1.23 Allowed Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.971 -1.251 . . . . 0.0 109.971 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.08 146.54 23.76 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.338 -1.095 . . . . 0.0 109.456 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.505 ' CZ2' ' HA ' ' A' ' 31' ' ' LYS . 26.4 m95 -136.85 93.24 2.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.161 -0.962 . . . . 0.0 110.488 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.98 149.82 28.66 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.278 -0.889 . . . . 0.0 110.223 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -159.05 149.31 19.4 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.205 -0.935 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.83 147.08 52.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.347 -0.845 . . . . 0.0 109.852 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.1 -22.73 25.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 110.301 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.33 -53.11 18.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.036 -1.04 . . . . 0.0 109.001 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -80.68 -12.77 59.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.446 -0.783 . . . . 0.0 108.916 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 55.78 19.29 3.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.604 -0.685 . . . . 0.0 110.51 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 m -108.88 147.06 32.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.125 -0.984 . . . . 0.0 110.29 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -97.94 149.46 22.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.258 -0.901 . . . . 0.0 109.427 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -132.28 131.32 41.92 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.907 -1.12 . . . . 0.0 109.97 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -131.07 150.95 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.257 -0.902 . . . . 0.0 109.095 179.57 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 27.4 m -164.46 148.41 9.41 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.053 -1.029 . . . . 0.0 109.649 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.68 ' C ' ' HZ3' ' A' ' 10' ' ' LYS . 28.1 mt-10 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.498 -0.751 . . . . 0.0 110.158 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.547 ' N ' ' O ' ' A' ' 20' ' ' ALA . 12.1 mmt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.3 m -54.35 132.61 44.35 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.346 -0.846 . . . . 0.0 110.12 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -139.33 143.47 37.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.433 -0.792 . . . . 0.0 109.368 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 18.4 ttpp -129.8 137.85 50.71 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.227 -0.921 . . . . 0.0 110.169 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.786 HD21 ' HB ' ' A' ' 54' ' ' VAL . 8.5 tt -131.33 135.5 47.31 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.59 -0.694 . . . . 0.0 110.09 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.55 HG23 ' HG2' ' A' ' 15' ' ' GLU . 1.3 mt -90.83 109.4 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.614 -0.679 . . . . 0.0 109.551 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.556 HD12 HD22 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -79.32 74.98 5.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.004 -1.06 . . . . 0.0 109.4 179.613 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 55' ' ' THR . 15.9 t30 -91.0 68.7 6.21 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.168 -0.957 . . . . 0.0 109.514 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.558 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . . . -64.97 176.65 11.31 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HZ2' ' CB ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -57.13 -58.81 6.55 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.752 -1.44 . . . . 0.0 108.824 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.7 p -102.03 -47.78 4.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.488 -0.757 . . . . 0.0 109.056 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.34 123.41 20.26 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.429 -0.794 . . . . 0.0 109.837 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.558 ' NZ ' ' O ' ' A' ' 9' ' ' GLY . 2.7 mptt -125.75 119.24 27.41 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 7' ' ' LEU . . . -155.95 150.11 21.35 Favored Glycine 0 N--CA 1.498 2.822 0 C-N-CA 119.445 -1.36 . . . . 0.0 110.687 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.592 ' OE1' ' NZ ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -103.52 148.75 25.58 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.493 -1.004 . . . . 0.0 108.504 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 p -146.74 142.42 27.78 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.639 -1.288 . . . . 0.0 111.603 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.531 HG22 ' HG3' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -125.81 161.98 26.15 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.488 HG22 ' CE2' ' A' ' 30' ' ' PHE . 12.5 t -171.56 -177.35 2.02 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.095 -1.003 . . . . 0.0 110.611 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 20' ' ' ALA . 1.6 tm-20 -118.07 161.8 19.24 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' A' ' 1' ' ' MET . . . -175.85 149.58 0.95 Allowed 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.764 HG23 ' H ' ' A' ' 22' ' ' ASP . 3.2 m -59.68 -65.37 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.901 -1.124 . . . . 0.0 109.49 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.764 ' H ' HG23 ' A' ' 21' ' ' VAL . 2.7 p30 -109.55 -159.44 0.68 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.427 -0.796 . . . . 0.0 110.01 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.72 -35.66 12.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.049 -1.032 . . . . 0.0 109.119 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -57.74 -45.41 85.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.361 -0.837 . . . . 0.0 108.76 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.4 m -65.45 -48.81 71.42 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -54.83 -53.21 58.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.26 -0.9 . . . . 0.0 109.049 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.547 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 3.6 tm-20 -54.6 -42.5 71.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.336 -0.852 . . . . 0.0 109.132 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' NZ ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -61.15 -54.67 41.51 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -56.13 -44.23 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' HB3' HD13 ' A' ' 5' ' ' LEU . 1.9 m-85 -66.35 -46.57 76.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.807 . . . . 0.0 109.05 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' NZ ' ' OE2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -58.22 -47.29 83.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.286 -0.884 . . . . 0.0 109.652 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -54.99 -67.48 0.27 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.514 -0.741 . . . . 0.0 109.361 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -50.16 -47.05 54.54 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.302 -0.874 . . . . 0.0 109.601 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.27 -48.74 68.04 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -48.48 71.87 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -52.13 -41.68 62.72 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.373 -0.83 . . . . 0.0 108.856 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.58 3.86 17.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.26 -0.9 . . . . 0.0 109.687 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.43 29.11 66.52 Favored Glycine 0 N--CA 1.499 2.861 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.83 124.67 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.541 -0.976 . . . . 0.0 110.11 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.531 ' CG ' ' HE1' ' A' ' 43' ' ' TRP . 9.3 t70 -169.68 -143.77 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.385 -0.822 . . . . 0.0 109.059 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.31 -93.01 1.23 Allowed Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.971 -1.251 . . . . 0.0 109.971 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.08 146.54 23.76 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.338 -1.095 . . . . 0.0 109.456 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.531 ' HE1' ' CG ' ' A' ' 40' ' ' ASP . 26.4 m95 -136.85 93.24 2.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.161 -0.962 . . . . 0.0 110.488 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.461 ' C ' ' HG1' ' A' ' 53' ' ' THR . 0.5 OUTLIER -108.98 149.82 28.66 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.278 -0.889 . . . . 0.0 110.223 179.718 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -159.05 149.31 19.4 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.205 -0.935 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.83 147.08 52.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.347 -0.845 . . . . 0.0 109.852 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.1 -22.73 25.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 110.301 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.33 -53.11 18.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.036 -1.04 . . . . 0.0 109.001 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -80.68 -12.77 59.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.446 -0.783 . . . . 0.0 108.916 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 55.78 19.29 3.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.604 -0.685 . . . . 0.0 110.51 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 m -108.88 147.06 32.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.125 -0.984 . . . . 0.0 110.29 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' HB3' HD12 ' A' ' 5' ' ' LEU . 20.4 m-85 -97.94 149.46 22.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.258 -0.901 . . . . 0.0 109.427 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.461 ' HG1' ' C ' ' A' ' 44' ' ' THR . 2.9 p -132.28 131.32 41.92 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.907 -1.12 . . . . 0.0 109.97 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.786 ' HB ' HD21 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -131.07 150.95 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.257 -0.902 . . . . 0.0 109.095 179.57 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 27.4 m -164.46 148.41 9.41 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.053 -1.029 . . . . 0.0 109.649 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.532 ' CB ' ' HZ2' ' A' ' 10' ' ' LYS . 28.1 mt-10 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.498 -0.751 . . . . 0.0 110.158 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.547 ' N ' ' O ' ' A' ' 20' ' ' ALA . 12.1 mmt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.3 m -54.35 132.61 44.35 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.346 -0.846 . . . . 0.0 110.12 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -139.33 143.47 37.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.433 -0.792 . . . . 0.0 109.368 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 18.4 ttpp -129.8 137.85 50.71 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.227 -0.921 . . . . 0.0 110.169 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.786 HD21 ' HB ' ' A' ' 54' ' ' VAL . 8.5 tt -131.33 135.5 47.31 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.59 -0.694 . . . . 0.0 110.09 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.55 HG23 ' HG2' ' A' ' 15' ' ' GLU . 1.3 mt -90.83 109.4 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.614 -0.679 . . . . 0.0 109.551 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.556 HD12 HD22 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -79.32 74.98 5.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.004 -1.06 . . . . 0.0 109.4 179.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 55' ' ' THR . 15.9 t30 -91.0 68.7 6.21 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.168 -0.957 . . . . 0.0 109.514 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.558 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . . . -64.97 176.65 11.31 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HZ2' ' CB ' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -57.13 -58.81 6.55 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.752 -1.44 . . . . 0.0 108.824 179.53 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.7 p -102.03 -47.78 4.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.488 -0.757 . . . . 0.0 109.056 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.34 123.41 20.26 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.429 -0.794 . . . . 0.0 109.837 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.558 ' NZ ' ' O ' ' A' ' 9' ' ' GLY . 2.7 mptt -125.75 119.24 27.41 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 7' ' ' LEU . . . -155.95 150.11 21.35 Favored Glycine 0 N--CA 1.498 2.822 0 C-N-CA 119.445 -1.36 . . . . 0.0 110.687 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.592 ' OE1' ' NZ ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -103.52 148.75 25.58 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.493 -1.004 . . . . 0.0 108.504 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 p -146.74 142.42 27.78 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.639 -1.288 . . . . 0.0 111.603 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.531 HG22 ' HG3' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -125.81 161.98 26.15 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.488 HG22 ' CE2' ' A' ' 30' ' ' PHE . 12.5 t -171.56 -177.35 2.02 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.095 -1.003 . . . . 0.0 110.611 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 20' ' ' ALA . 1.6 tm-20 -118.07 161.8 19.24 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' A' ' 1' ' ' MET . . . -175.85 149.58 0.95 Allowed 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.764 HG23 ' H ' ' A' ' 22' ' ' ASP . 3.2 m -59.68 -65.37 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.901 -1.124 . . . . 0.0 109.49 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.764 ' H ' HG23 ' A' ' 21' ' ' VAL . 2.7 p30 -109.55 -159.44 0.68 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.427 -0.796 . . . . 0.0 110.01 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.72 -35.66 12.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.049 -1.032 . . . . 0.0 109.119 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -57.74 -45.41 85.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.361 -0.837 . . . . 0.0 108.76 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.4 m -65.45 -48.81 71.42 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -54.83 -53.21 58.22 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.26 -0.9 . . . . 0.0 109.049 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.547 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 3.6 tm-20 -54.6 -42.5 71.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.336 -0.852 . . . . 0.0 109.132 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' NZ ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -61.15 -54.67 41.51 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -56.13 -44.23 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' HB3' HD13 ' A' ' 5' ' ' LEU . 1.9 m-85 -66.35 -46.57 76.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.807 . . . . 0.0 109.05 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' NZ ' ' OE2' ' A' ' 27' ' ' GLU . 0.8 OUTLIER -58.22 -47.29 83.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.286 -0.884 . . . . 0.0 109.652 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -54.99 -67.48 0.27 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.514 -0.741 . . . . 0.0 109.361 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -50.16 -47.05 54.54 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.302 -0.874 . . . . 0.0 109.601 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.27 -48.74 68.04 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -48.48 71.87 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -52.13 -41.68 62.72 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.373 -0.83 . . . . 0.0 108.856 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.58 3.86 17.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.26 -0.9 . . . . 0.0 109.687 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.43 29.11 66.52 Favored Glycine 0 N--CA 1.499 2.861 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.1 t -118.83 124.67 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.541 -0.976 . . . . 0.0 110.11 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.531 ' CG ' ' HE1' ' A' ' 43' ' ' TRP . 9.3 t70 -169.68 -143.77 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.385 -0.822 . . . . 0.0 109.059 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.31 -93.01 1.23 Allowed Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.971 -1.251 . . . . 0.0 109.971 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.08 146.54 23.76 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.338 -1.095 . . . . 0.0 109.456 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.531 ' HE1' ' CG ' ' A' ' 40' ' ' ASP . 26.4 m95 -136.85 93.24 2.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.161 -0.962 . . . . 0.0 110.488 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.461 ' C ' ' HG1' ' A' ' 53' ' ' THR . 0.5 OUTLIER -108.98 149.82 28.66 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.278 -0.889 . . . . 0.0 110.223 179.718 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -159.05 149.31 19.4 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.205 -0.935 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.83 147.08 52.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.347 -0.845 . . . . 0.0 109.852 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.1 -22.73 25.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 110.301 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.33 -53.11 18.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.036 -1.04 . . . . 0.0 109.001 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -80.68 -12.77 59.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.446 -0.783 . . . . 0.0 108.916 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 55.78 19.29 3.37 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.604 -0.685 . . . . 0.0 110.51 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 m -108.88 147.06 32.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.125 -0.984 . . . . 0.0 110.29 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' HB3' HD12 ' A' ' 5' ' ' LEU . 20.4 m-85 -97.94 149.46 22.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.258 -0.901 . . . . 0.0 109.427 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.461 ' HG1' ' C ' ' A' ' 44' ' ' THR . 2.9 p -132.28 131.32 41.92 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.907 -1.12 . . . . 0.0 109.97 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.786 ' HB ' HD21 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -131.07 150.95 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.257 -0.902 . . . . 0.0 109.095 179.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 27.4 m -164.46 148.41 9.41 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.053 -1.029 . . . . 0.0 109.649 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.532 ' CB ' ' HZ2' ' A' ' 10' ' ' LYS . 28.1 mt-10 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.498 -0.751 . . . . 0.0 110.158 -179.461 . . . . . . . . 1 1 . 1 stop_ save_