data_1pnj_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 1pnj _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' A GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' B SER . . . . . . . . . . . . . 60.8 m -58.38 -19.38 35.36 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' C MET . . . . . . . . . . . . . 26.1 tpp 64.41 43.89 4.42 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 121.645 0.736 . . . . 0.0 110.672 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.33 170.11 22.09 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.898 -173.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.78 153.79 43.14 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.589 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -99.59 40.14 1.25 Allowed 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 122.122 0.963 . . . . 0.0 110.542 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.75 -162.98 29.27 Favored Glycine 0 N--CA 1.495 2.631 0 CA-C-N 113.612 -1.631 . . . . 0.0 111.625 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.3 145.89 24.28 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.579 176.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -125.08 161.33 27.01 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 124.662 1.226 . . . . 0.0 113.67 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -139.24 154.71 48.03 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.686 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -123.45 121.57 36.06 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.77 145.75 11.72 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.272 0.983 . . . . 0.0 111.461 173.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tp -107.44 -41.42 5.08 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 124.068 0.855 . . . . 0.0 109.784 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -141.91 152.52 43.63 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 124.349 1.03 . . . . 0.0 110.267 -178.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.18 123.06 18.53 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.603 174.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -123.14 136.8 54.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 124.473 1.108 . . . . 0.0 109.07 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -94.7 151.72 19.05 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 124.267 0.979 . . . . 0.0 109.287 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 131.42 35.65 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 123.879 0.737 . . . . 0.0 110.276 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -110.07 -11.17 14.65 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.563 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -120.57 146.25 46.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.327 1.017 . . . . 0.0 109.529 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.45 -19.01 63.08 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.8 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.3 -19.76 38.81 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.166 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.42 164.71 11.99 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 123.964 0.79 . . . . 0.0 110.757 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 pt -124.61 168.81 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.607 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.39 136.22 40.77 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.087 -1.415 . . . . 0.0 109.478 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.7 mt -125.94 135.18 51.57 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.115 0.884 . . . . 0.0 110.687 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.49 -175.95 3.99 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.403 -173.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.63 158.35 20.88 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.99 -6.18 1.05 Allowed Glycine 0 N--CA 1.503 3.157 0 O-C-N 123.722 0.639 . . . . 0.0 113.681 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 110.64 11.78 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.2 mt -94.01 138.69 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.81 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -105.81 148.32 27.66 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.083 -1.871 . . . . 0.0 109.689 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.3 m -126.65 147.33 49.93 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 124.071 0.857 . . . . 0.0 109.157 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -120.45 -154.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 124.169 0.918 . . . . 0.0 108.546 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.37 -179.44 7.41 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.442 172.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 -37.59 3.05 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.266 -164.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.54 42.01 0.58 Allowed Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.0 p -151.03 69.71 0.97 Allowed 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 170.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -51.86 -22.57 3.87 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 111.737 -2.483 . . . . 0.0 113.648 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 t -61.29 -9.74 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 123.876 0.735 . . . . 0.0 112.355 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.59 -25.61 1.82 Allowed 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.593 166.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.1 mt -118.1 -7.39 10.83 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 124.049 0.843 . . . . 0.0 109.411 -176.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.9 25.53 69.13 Favored Glycine 0 N--CA 1.493 2.463 0 O-C-N 124.236 0.96 . . . . 0.0 112.097 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.47 153.09 20.06 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 114.471 -0.865 . . . . 0.0 109.846 -176.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -149.69 34.14 0.69 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 124.119 0.887 . . . . 0.0 110.596 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.46 -55.71 2.67 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.716 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.22 9.74 56.64 Favored Glycine 0 N--CA 1.495 2.61 0 O-C-N 124.648 1.217 . . . . 0.0 112.072 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.97 -72.18 0.17 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.371 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 49.79 62.54 2.59 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 123.934 0.771 . . . . 0.0 110.003 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HA ' ' CG ' ' A' ' 76' ' ' TYR . . . -176.9 -22.77 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -176.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.33 80.73 29.29 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 123.874 0.734 . . . . 0.0 109.125 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -56.26 -22.62 41.71 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.926 2.418 . . . . 0.0 111.828 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.03 -41.41 47.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 124.723 1.265 . . . . 0.0 112.267 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -93.65 -29.34 15.49 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 123.831 0.707 . . . . 0.0 111.447 178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.8 mt -64.68 146.3 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.743 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.35 -96.47 1.07 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -174.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -98.4 128.62 44.87 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.195 -1.002 . . . . 0.0 110.315 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 4.5 mp -107.2 136.26 47.33 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 172.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -104.96 125.64 51.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.04 -164.62 13.49 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -137.28 146.93 45.3 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 115.08 -0.56 . . . . 0.0 110.76 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -101.05 100.36 10.94 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 114.368 -1.287 . . . . 0.0 108.906 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -54.45 -39.31 67.28 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 123.743 0.652 . . . . 0.0 112.047 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.9 m -52.2 -42.02 63.16 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 124.2 0.938 . . . . 0.0 112.142 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.8 p -105.36 0.46 27.0 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 124.322 1.014 . . . . 0.0 110.564 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.02 23.85 12.83 Favored Glycine 0 N--CA 1.495 2.618 0 O-C-N 124.175 0.922 . . . . 0.0 112.665 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.4 166.44 12.56 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -174.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -148.04 125.68 11.79 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.34 -162.82 26.66 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.952 -1.118 . . . . 0.0 111.115 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.96 153.79 21.5 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.669 -0.765 . . . . 0.0 109.151 -177.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 56' ' ' LEU . 34.9 p90 -151.2 147.89 21.45 Favored Pre-proline 0 N--CA 1.493 1.695 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.64 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -64.24 156.28 60.47 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 122.436 2.091 . . . . 0.0 112.0 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.01 44.16 1.84 Allowed Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.6 t -134.38 -17.32 2.05 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.613 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -100.74 0.86 39.67 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 124.233 0.958 . . . . 0.0 111.622 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.96 -178.98 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 123.795 0.684 . . . . 0.0 109.436 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -149.14 106.49 3.63 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.063 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.462 ' CG ' ' HA ' ' A' ' 48' ' ' ALA . 77.6 t80 -43.61 128.44 5.19 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.097 169.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.4 pt -126.21 -58.17 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 124.019 0.824 . . . . 0.0 111.469 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.67 156.39 21.01 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -163.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.23 154.36 36.67 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.905 0.859 . . . . 0.0 112.136 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -62.77 177.17 0.58 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 113.068 -1.878 . . . . 0.0 113.056 160.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -81.64 28.32 0.41 Allowed 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 114.33 -1.305 . . . . 0.0 111.478 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.7 tt -90.82 -5.16 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.766 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.9 t -138.21 72.47 45.68 Favored Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 123.943 0.777 . . . . 0.0 109.803 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.262 0 C-N-CA 122.369 2.046 . . . . 0.0 112.212 171.295 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' A GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' B SER . . . . . . . . . . . . . 60.8 m -58.38 -19.38 35.36 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' C MET . . . . . . . . . . . . . 26.1 tpp 64.41 43.89 4.42 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 121.645 0.736 . . . . 0.0 110.672 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.33 170.11 22.09 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.898 -173.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.78 153.79 43.14 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.589 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -99.59 40.14 1.25 Allowed 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 122.122 0.963 . . . . 0.0 110.542 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.75 -162.98 29.27 Favored Glycine 0 N--CA 1.495 2.631 0 CA-C-N 113.612 -1.631 . . . . 0.0 111.625 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.3 145.89 24.28 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.579 176.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -125.08 161.33 27.01 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 124.662 1.226 . . . . 0.0 113.67 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -139.24 154.71 48.03 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.686 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -123.45 121.57 36.06 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.77 145.75 11.72 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.272 0.983 . . . . 0.0 111.461 173.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tp -107.44 -41.42 5.08 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 124.068 0.855 . . . . 0.0 109.784 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -141.91 152.52 43.63 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 124.349 1.03 . . . . 0.0 110.267 -178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.18 123.06 18.53 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.603 174.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' CD1' HD12 ' A' ' 24' ' ' LEU . 3.9 t80 -123.14 136.8 54.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 124.473 1.108 . . . . 0.0 109.07 174.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -94.7 151.72 19.05 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 124.267 0.979 . . . . 0.0 109.287 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 131.42 35.65 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 123.879 0.737 . . . . 0.0 110.276 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -110.07 -11.17 14.65 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.563 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -120.57 146.25 46.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.327 1.017 . . . . 0.0 109.529 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.45 -19.01 63.08 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.8 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.3 -19.76 38.81 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.166 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.42 164.71 11.99 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 123.964 0.79 . . . . 0.0 110.757 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 pt -124.61 168.81 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.607 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.39 136.22 40.77 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.087 -1.415 . . . . 0.0 109.478 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' CD1' ' A' ' 14' ' ' TYR . 90.7 mt -125.94 135.18 51.57 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.115 0.884 . . . . 0.0 110.687 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.49 -175.95 3.99 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.403 -173.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.63 158.35 20.88 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.99 -6.18 1.05 Allowed Glycine 0 N--CA 1.503 3.157 0 O-C-N 123.722 0.639 . . . . 0.0 113.681 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 110.64 11.78 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.442 ' C ' HD12 ' A' ' 30' ' ' LEU . 4.2 mt -94.01 138.69 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.81 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 30' ' ' LEU . 9.7 mp -105.81 148.32 27.66 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.083 -1.871 . . . . 0.0 109.689 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.3 m -126.65 147.33 49.93 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 124.071 0.857 . . . . 0.0 109.157 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 ' H ' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -120.45 -154.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 124.169 0.918 . . . . 0.0 108.546 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -82.37 -179.44 7.41 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.442 172.133 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 -37.59 3.05 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.266 -164.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.54 42.01 0.58 Allowed Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.0 p -151.03 69.71 0.97 Allowed 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 170.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -51.86 -22.57 3.87 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 111.737 -2.483 . . . . 0.0 113.648 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 t -61.29 -9.74 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 123.876 0.735 . . . . 0.0 112.355 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.59 -25.61 1.82 Allowed 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.593 166.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.424 HD21 ' H ' ' A' ' 57' ' ' ASN . 21.1 mt -118.1 -7.39 10.83 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 124.049 0.843 . . . . 0.0 109.411 -176.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.9 25.53 69.13 Favored Glycine 0 N--CA 1.493 2.463 0 O-C-N 124.236 0.96 . . . . 0.0 112.097 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.47 153.09 20.06 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 114.471 -0.865 . . . . 0.0 109.846 -176.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -149.69 34.14 0.69 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 124.119 0.887 . . . . 0.0 110.596 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.46 -55.71 2.67 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.716 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.22 9.74 56.64 Favored Glycine 0 N--CA 1.495 2.61 0 O-C-N 124.648 1.217 . . . . 0.0 112.072 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.406 HE22 ' CD ' ' A' ' 52' ' ' GLU . 4.3 tt0 -66.97 -72.18 0.17 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.371 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 49.79 62.54 2.59 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 123.934 0.771 . . . . 0.0 110.003 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.476 ' HA ' ' CG ' ' A' ' 76' ' ' TYR . . . -176.9 -22.77 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -176.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.33 80.73 29.29 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 123.874 0.734 . . . . 0.0 109.125 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -56.26 -22.62 41.71 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.926 2.418 . . . . 0.0 111.828 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.03 -41.41 47.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 124.723 1.265 . . . . 0.0 112.267 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' CD ' HE22 ' A' ' 46' ' ' GLN . 4.7 pt-20 -93.65 -29.34 15.49 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 123.831 0.707 . . . . 0.0 111.447 178.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.8 mt -64.68 146.3 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.743 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.35 -96.47 1.07 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -174.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -98.4 128.62 44.87 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.195 -1.002 . . . . 0.0 110.315 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 4.5 mp -107.2 136.26 47.33 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 172.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.424 ' H ' HD21 ' A' ' 40' ' ' LEU . 56.1 t30 -104.96 125.64 51.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.04 -164.62 13.49 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -137.28 146.93 45.3 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 115.08 -0.56 . . . . 0.0 110.76 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -101.05 100.36 10.94 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 114.368 -1.287 . . . . 0.0 108.906 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -54.45 -39.31 67.28 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 123.743 0.652 . . . . 0.0 112.047 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.9 m -52.2 -42.02 63.16 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 124.2 0.938 . . . . 0.0 112.142 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.8 p -105.36 0.46 27.0 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 124.322 1.014 . . . . 0.0 110.564 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.02 23.85 12.83 Favored Glycine 0 N--CA 1.495 2.618 0 O-C-N 124.175 0.922 . . . . 0.0 112.665 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.4 166.44 12.56 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -174.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -148.04 125.68 11.79 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.34 -162.82 26.66 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.952 -1.118 . . . . 0.0 111.115 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.96 153.79 21.5 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.669 -0.765 . . . . 0.0 109.151 -177.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 56' ' ' LEU . 34.9 p90 -151.2 147.89 21.45 Favored Pre-proline 0 N--CA 1.493 1.695 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.64 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -64.24 156.28 60.47 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 122.436 2.091 . . . . 0.0 112.0 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.01 44.16 1.84 Allowed Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.6 t -134.38 -17.32 2.05 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.613 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -100.74 0.86 39.67 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 124.233 0.958 . . . . 0.0 111.622 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.96 -178.98 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 123.795 0.684 . . . . 0.0 109.436 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -149.14 106.49 3.63 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.063 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.476 ' CG ' ' HA ' ' A' ' 48' ' ' ALA . 77.6 t80 -43.61 128.44 5.19 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.097 169.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.4 pt -126.21 -58.17 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 124.019 0.824 . . . . 0.0 111.469 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.67 156.39 21.01 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -163.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.23 154.36 36.67 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.905 0.859 . . . . 0.0 112.136 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -62.77 177.17 0.58 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 113.068 -1.878 . . . . 0.0 113.056 160.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -81.64 28.32 0.41 Allowed 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 114.33 -1.305 . . . . 0.0 111.478 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.7 tt -90.82 -5.16 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.766 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.9 t -138.21 72.47 45.68 Favored Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 123.943 0.777 . . . . 0.0 109.803 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.262 0 C-N-CA 122.369 2.046 . . . . 0.0 112.212 171.295 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' A GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' B SER . . . . . . . . . . . . . 60.8 m -58.38 -19.38 35.36 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' C MET . . . . . . . . . . . . . 26.1 tpp 64.41 43.89 4.42 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 121.645 0.736 . . . . 0.0 110.672 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.33 170.11 22.09 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.898 -173.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.78 153.79 43.14 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.589 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -99.59 40.14 1.25 Allowed 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 122.122 0.963 . . . . 0.0 110.542 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.75 -162.98 29.27 Favored Glycine 0 N--CA 1.495 2.631 0 CA-C-N 113.612 -1.631 . . . . 0.0 111.625 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.3 145.89 24.28 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.579 176.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -125.08 161.33 27.01 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 124.662 1.226 . . . . 0.0 113.67 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -139.24 154.71 48.03 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-N 112.167 -2.288 . . . . 0.0 106.686 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -123.45 121.57 36.06 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.77 145.75 11.72 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.272 0.983 . . . . 0.0 111.461 173.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 tp -107.44 -41.42 5.08 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 124.068 0.855 . . . . 0.0 109.784 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -141.91 152.52 43.63 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 124.349 1.03 . . . . 0.0 110.267 -178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.18 123.06 18.53 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.603 174.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' CD1' HD12 ' A' ' 24' ' ' LEU . 3.9 t80 -123.14 136.8 54.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 124.473 1.108 . . . . 0.0 109.07 174.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -94.7 151.72 19.05 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 124.267 0.979 . . . . 0.0 109.287 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 131.42 35.65 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 123.879 0.737 . . . . 0.0 110.276 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -110.07 -11.17 14.65 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.563 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -120.57 146.25 46.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.327 1.017 . . . . 0.0 109.529 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -62.45 -19.01 63.08 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.8 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.3 -19.76 38.81 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.166 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.42 164.71 11.99 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 123.964 0.79 . . . . 0.0 110.757 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 pt -124.61 168.81 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.607 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.39 136.22 40.77 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.087 -1.415 . . . . 0.0 109.478 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' CD1' ' A' ' 14' ' ' TYR . 90.7 mt -125.94 135.18 51.57 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.115 0.884 . . . . 0.0 110.687 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.49 -175.95 3.99 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.403 -173.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.63 158.35 20.88 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.99 -6.18 1.05 Allowed Glycine 0 N--CA 1.503 3.157 0 O-C-N 123.722 0.639 . . . . 0.0 113.681 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 110.64 11.78 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -176.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.442 ' C ' HD12 ' A' ' 30' ' ' LEU . 4.2 mt -94.01 138.69 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.81 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 30' ' ' LEU . 9.7 mp -105.81 148.32 27.66 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 113.083 -1.871 . . . . 0.0 109.689 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.3 m -126.65 147.33 49.93 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 124.071 0.857 . . . . 0.0 109.157 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 ' H ' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -120.45 -154.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 124.169 0.918 . . . . 0.0 108.546 179.214 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' H ' HG12 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -82.37 -179.44 7.41 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.442 172.133 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.19 -37.59 3.05 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.266 -164.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.54 42.01 0.58 Allowed Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.0 p -151.03 69.71 0.97 Allowed 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 170.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -51.86 -22.57 3.87 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-N 111.737 -2.483 . . . . 0.0 113.648 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.8 t -61.29 -9.74 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 123.876 0.735 . . . . 0.0 112.355 174.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.59 -25.61 1.82 Allowed 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.593 166.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.424 HD21 ' H ' ' A' ' 57' ' ' ASN . 21.1 mt -118.1 -7.39 10.83 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 124.049 0.843 . . . . 0.0 109.411 -176.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.9 25.53 69.13 Favored Glycine 0 N--CA 1.493 2.463 0 O-C-N 124.236 0.96 . . . . 0.0 112.097 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.47 153.09 20.06 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 114.471 -0.865 . . . . 0.0 109.846 -176.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -149.69 34.14 0.69 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 124.119 0.887 . . . . 0.0 110.596 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.46 -55.71 2.67 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.716 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.22 9.74 56.64 Favored Glycine 0 N--CA 1.495 2.61 0 O-C-N 124.648 1.217 . . . . 0.0 112.072 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.97 -72.18 0.17 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.371 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 49.79 62.54 2.59 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 123.934 0.771 . . . . 0.0 110.003 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.476 ' HA ' ' CG ' ' A' ' 76' ' ' TYR . . . -176.9 -22.77 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -176.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.33 80.73 29.29 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 123.874 0.734 . . . . 0.0 109.125 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -56.26 -22.62 41.71 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.926 2.418 . . . . 0.0 111.828 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.03 -41.41 47.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 124.723 1.265 . . . . 0.0 112.267 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -93.65 -29.34 15.49 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 123.831 0.707 . . . . 0.0 111.447 178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.8 mt -64.68 146.3 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.743 178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.35 -96.47 1.07 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -174.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -98.4 128.62 44.87 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 114.195 -1.002 . . . . 0.0 110.315 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 4.5 mp -107.2 136.26 47.33 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 172.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.424 ' H ' HD21 ' A' ' 40' ' ' LEU . 6.1 t-20 -104.96 125.64 51.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -156.04 -164.62 13.49 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -137.28 146.93 45.3 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 115.08 -0.56 . . . . 0.0 110.76 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -101.05 100.36 10.94 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 114.368 -1.287 . . . . 0.0 108.906 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -54.45 -39.31 67.28 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 123.743 0.652 . . . . 0.0 112.047 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.9 m -52.2 -42.02 63.16 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 124.2 0.938 . . . . 0.0 112.142 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.8 p -105.36 0.46 27.0 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 124.322 1.014 . . . . 0.0 110.564 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.02 23.85 12.83 Favored Glycine 0 N--CA 1.495 2.618 0 O-C-N 124.175 0.922 . . . . 0.0 112.665 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.4 166.44 12.56 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -174.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.6 ttm-85 -148.04 125.68 11.79 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.34 -162.82 26.66 Favored Glycine 0 N--CA 1.493 2.492 0 C-N-CA 119.952 -1.118 . . . . 0.0 111.115 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.96 153.79 21.5 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.669 -0.765 . . . . 0.0 109.151 -177.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 56' ' ' LEU . 34.9 p90 -151.2 147.89 21.45 Favored Pre-proline 0 N--CA 1.493 1.695 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.64 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -64.24 156.28 60.47 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 122.436 2.091 . . . . 0.0 112.0 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.01 44.16 1.84 Allowed Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.6 t -134.38 -17.32 2.05 Favored 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.613 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -100.74 0.86 39.67 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 124.233 0.958 . . . . 0.0 111.622 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.96 -178.98 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 123.795 0.684 . . . . 0.0 109.436 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -149.14 106.49 3.63 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.063 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.476 ' CG ' ' HA ' ' A' ' 48' ' ' ALA . 77.6 t80 -43.61 128.44 5.19 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.097 169.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.4 pt -126.21 -58.17 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 124.019 0.824 . . . . 0.0 111.469 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.67 156.39 21.01 Favored Glycine 0 N--CA 1.495 2.615 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -163.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.23 154.36 36.67 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.905 0.859 . . . . 0.0 112.136 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -62.77 177.17 0.58 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 113.068 -1.878 . . . . 0.0 113.056 160.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -81.64 28.32 0.41 Allowed 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 114.33 -1.305 . . . . 0.0 111.478 -174.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.7 tt -90.82 -5.16 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.766 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.9 t -138.21 72.47 45.68 Favored Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 123.943 0.777 . . . . 0.0 109.803 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.262 0 C-N-CA 122.369 2.046 . . . . 0.0 112.212 171.295 . . . . . . . . 0 0 . 1 stop_ save_