data_1pk2_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 1pk2 _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' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' CG ' ' H ' ' A' ' 3' ' ' GLY . 1.9 tt0 45.36 -128.74 1.16 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.306 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.4 ' H ' ' CG ' ' A' ' 2' ' ' GLU . . . -50.88 -31.99 25.46 Favored Glycine 0 N--CA 1.502 3.058 0 C-N-CA 119.362 -1.399 . . . . 0.0 109.663 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 t30 49.92 67.19 0.94 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' ASP . 18.7 m -62.7 111.81 2.25 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 119.25 -0.98 . . . . 0.0 110.714 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.8 m-20 -30.75 105.88 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.91 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 86' ' ' PRO . 14.2 p -139.22 -175.81 4.3 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 119.037 -1.065 . . . . 0.0 112.111 -179.962 75.524 104.612 93.382 104.102 2.022 104.813 -69.212 -36.365 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -145.31 161.97 38.32 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.825 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.4 p90 -111.37 134.77 52.71 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.7 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.57 -81.36 0.02 OUTLIER Glycine 0 N--CA 1.498 2.801 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.253 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' PHE . 37.9 p30 -142.66 14.52 1.95 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.412 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.56 48.2 28.74 Favored Glycine 0 N--CA 1.495 2.62 0 C-N-CA 118.962 -1.59 . . . . 0.0 109.365 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -70.98 -68.33 0.44 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.313 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.63 -44.91 48.23 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.856 -0.737 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.19 153.61 14.72 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -101.29 119.38 38.67 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.16 158.38 45.94 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.45 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 p -108.08 -7.96 15.96 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.846 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.797 ' CD2' ' SG ' ' A' ' 83' ' ' CYS . 14.7 t60 -79.82 149.42 31.03 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.475 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.556 ' C ' ' SG ' ' A' ' 28' ' ' CYS . 5.6 p -137.67 43.67 2.26 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.352 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.689 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -159.23 152.27 22.14 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.118 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.677 ' HA ' ' HA ' ' A' ' 83' ' ' CYS . 70.2 p -84.28 149.19 26.25 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 118.859 -1.136 . . . . 0.0 112.408 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 24' ' ' SER . 6.3 pt-20 -36.08 -46.37 0.49 Allowed 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 114.841 -1.072 . . . . 0.0 113.255 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.445 ' H ' ' HG3' ' A' ' 23' ' ' GLU . 91.5 p -163.22 16.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 118.617 -1.233 . . . . 0.0 112.053 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -85.44 -50.02 4.18 Favored Glycine 0 N--CA 1.495 2.595 0 C-N-CA 119.219 -1.467 . . . . 0.0 110.232 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . 162.3 -168.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.351 -0.424 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.7 p -75.43 169.67 17.62 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.571 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.556 ' SG ' ' C ' ' A' ' 20' ' ' SER . 20.5 m -93.64 124.15 37.44 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.183 -0.917 . . . . 0.0 113.276 -179.722 -47.983 -70.354 -63.497 103.732 2.01 102.315 165.982 75.048 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.629 ' HG ' ' HB3' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -57.23 134.43 81.04 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.938 179.77 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.423 ' O ' ' CB ' ' A' ' 33' ' ' SER . 3.1 Cg_exo -53.52 122.58 11.53 Favored 'Trans proline' 0 C--N 1.316 -1.139 0 C-N-CA 120.717 0.944 . . . . 0.0 110.187 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.614 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 30.0 m95 -51.78 -48.19 63.87 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.719 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 18.0 p-10 -81.03 11.27 4.19 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.1 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 39.6 t -58.03 151.77 17.94 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.424 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -33.74 65.17 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.644 -0.823 . . . . 0.0 110.716 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -60.92 -16.28 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.28 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.42 21.27 12.34 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 mt -47.37 110.87 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.609 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.58 51.32 44.35 Favored Glycine 0 N--CA 1.497 2.744 0 C-N-CA 119.613 -1.28 . . . . 0.0 109.979 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' CG ' ' H ' ' A' ' 40' ' ' VAL . 53.7 tttt -118.1 171.01 8.39 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.075 -1.05 . . . . 0.0 112.609 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' H ' ' CG ' ' A' ' 39' ' ' LYS . 5.7 t -20.27 -79.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.698 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 62' ' ' PRO . 56.6 m-85 -129.6 125.12 35.44 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.026 -1.069 . . . . 0.0 111.624 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.635 ' H ' ' CD1' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -160.99 171.65 18.29 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.937 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.98 -15.12 37.36 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.558 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -96.33 1.93 52.33 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -77.16 139.15 64.7 Favored Pre-proline 0 C--N 1.306 -1.313 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.441 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.8 -20.39 22.11 Favored 'Trans proline' 0 C--N 1.315 -1.198 0 C-N-CA 121.159 1.239 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' ALA . 75.6 m -104.25 16.37 26.35 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.178 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' SER . . . -35.58 -42.47 0.23 Allowed 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.195 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -57.53 -59.34 5.32 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.96 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.37 74.78 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.635 ' CD1' ' H ' ' A' ' 42' ' ' THR . 1.3 mt -58.92 -33.24 70.34 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.393 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.531 ' O ' ' NE ' ' A' ' 60' ' ' ARG . . . 81.8 14.59 77.36 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.614 ' HG ' ' CD2' ' A' ' 31' ' ' TRP . 2.9 mp -92.68 -163.35 1.03 Allowed 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.334 0.588 . . . . 0.0 111.599 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.91 -174.9 46.2 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -72.78 72.62 1.07 Allowed 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.657 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 58' ' ' TYR . 18.2 p80 -166.67 -169.87 1.46 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.74 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -120.48 17.85 12.11 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.962 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.484 ' HA ' ' HB3' ' A' ' 20' ' ' SER . 38.6 m-85 -62.63 158.93 17.1 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.722 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 21' ' ' LEU . 84.3 m -90.88 144.4 25.73 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.761 179.813 -59.363 161.95 56.145 103.452 2.008 103.353 118.522 -159.053 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 52' ' ' GLY . 13.5 mmm180 -144.64 173.65 11.64 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.258 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.614 ' CG ' ' HA ' ' A' ' 68' ' ' PRO . 68.0 m-20 -119.8 60.26 6.3 Favored Pre-proline 0 N--CA 1.494 1.76 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.613 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.494 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 3.2 Cg_exo -54.2 -29.88 58.68 Favored 'Trans proline' 0 C--O 1.213 -0.731 0 C-N-CA 121.703 1.602 . . . . 0.0 112.168 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -13.06 37.65 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.531 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.58 31.72 12.76 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -167.94 0.22 Allowed 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 114.773 -0.713 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.38 -100.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.536 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 139.86 35.9 Favored Pre-proline 0 C--N 1.3 -1.57 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.399 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.614 ' HA ' ' CG ' ' A' ' 61' ' ' ASN . 12.1 Cg_exo -45.24 120.46 3.11 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.068 1.178 . . . . 0.0 110.065 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.622 ' CZ2' ' H61' ' A' ' 91' ' ' ACA . 47.8 p-90 -103.77 -165.62 1.17 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.979 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.556 ' N ' ' CE3' ' A' ' 69' ' ' TRP . 14.5 p -169.74 160.31 8.63 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.751 179.649 75.048 165.982 -63.497 102.315 2.01 103.732 -70.354 -47.983 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.629 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . 81.5 m-70 -66.71 157.31 33.01 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.141 -0.936 . . . . 0.0 113.299 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.489 ' CG1' ' CG2' ' A' ' 22' ' ' THR . 8.6 m -148.46 147.49 16.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.508 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.91 122.3 41.98 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 119.602 -0.839 . . . . 0.0 111.097 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 -172.28 2.03 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.173 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -53.06 94.63 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.952 -0.699 . . . . 0.0 112.049 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 54.99 16.87 1.64 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 4.1 ttt180 -138.27 153.75 49.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.819 -0.753 . . . . 0.0 110.779 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.47 HD23 ' C1 ' ' A' ' 91' ' ' ACA . 1.4 tp -91.28 157.98 16.83 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.572 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.425 ' C ' HG22 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -157.6 -165.88 1.88 Allowed 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.165 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 69' ' ' TRP . 59.2 p-90 -175.01 128.33 0.29 Allowed 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.601 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -134.04 167.65 20.24 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 117.996 -1.482 . . . . 0.0 112.115 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -57.1 136.77 56.37 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 119.188 -1.005 . . . . 0.0 108.527 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.797 ' SG ' ' CD2' ' A' ' 19' ' ' HIS . 5.7 t -75.85 156.69 34.16 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 118.112 -1.435 . . . . 0.0 109.031 -179.853 -159.053 118.522 56.145 103.353 2.008 103.452 161.95 -59.363 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.459 ' O ' ' HD3' ' A' ' 86' ' ' PRO . 5.3 t70 -78.12 67.63 3.98 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.341 -1.344 . . . . 0.0 110.545 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -96.79 106.52 30.94 Favored Pre-proline 0 N--CA 1.49 1.548 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.074 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 84' ' ' ASP . 5.2 Cg_exo -57.41 105.9 0.21 Allowed 'Trans proline' 0 C--O 1.211 -0.828 0 C-N-CA 121.639 1.559 . . . . 0.0 111.609 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -58.3 158.25 7.49 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.358 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.1 m -83.43 -25.64 31.07 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.581 179.952 -36.365 -69.212 93.382 104.813 2.022 104.102 104.612 75.524 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 m 61.93 -78.83 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.209 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 116.348 -1.787 . . . . 0.0 110.751 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ACA . . . . . 0.622 ' H61' ' CZ2' ' A' ' 69' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 45.36 -128.74 1.16 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.306 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.88 -31.99 25.46 Favored Glycine 0 N--CA 1.502 3.058 0 C-N-CA 119.362 -1.399 . . . . 0.0 109.663 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 t30 49.92 67.19 0.94 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' ASP . 18.7 m -62.7 111.81 2.25 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 119.25 -0.98 . . . . 0.0 110.714 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.8 m-20 -30.75 105.88 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.91 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 86' ' ' PRO . 14.2 p -139.22 -175.81 4.3 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 119.037 -1.065 . . . . 0.0 112.111 -179.962 75.524 104.612 93.382 104.102 2.022 104.813 -69.212 -36.365 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -145.31 161.97 38.32 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.825 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.4 p90 -111.37 134.77 52.71 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.7 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.57 -81.36 0.02 OUTLIER Glycine 0 N--CA 1.498 2.801 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.253 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' PHE . 37.9 p30 -142.66 14.52 1.95 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.412 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.56 48.2 28.74 Favored Glycine 0 N--CA 1.495 2.62 0 C-N-CA 118.962 -1.59 . . . . 0.0 109.365 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -70.98 -68.33 0.44 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.313 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.63 -44.91 48.23 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.856 -0.737 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.19 153.61 14.72 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -101.29 119.38 38.67 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.16 158.38 45.94 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.45 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 p -108.08 -7.96 15.96 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.846 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.597 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 3.7 t-80 -79.82 149.42 31.03 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.475 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.556 ' C ' ' SG ' ' A' ' 28' ' ' CYS . 5.6 p -137.67 43.67 2.26 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.352 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.689 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -159.23 152.27 22.14 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.118 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' A' ' 83' ' ' CYS . 70.2 p -84.28 149.19 26.25 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 118.859 -1.136 . . . . 0.0 112.408 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 24' ' ' SER . 6.3 pt-20 -36.08 -46.37 0.49 Allowed 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 114.841 -1.072 . . . . 0.0 113.255 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.443 ' H ' ' HG3' ' A' ' 23' ' ' GLU . 91.5 p -163.22 16.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 118.617 -1.233 . . . . 0.0 112.053 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.625 ' O ' ' HB2' ' A' ' 26' ' ' ALA . . . -85.44 -50.02 4.18 Favored Glycine 0 N--CA 1.495 2.595 0 C-N-CA 119.219 -1.467 . . . . 0.0 110.232 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 25' ' ' GLY . . . 162.3 -168.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.351 -0.424 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.558 ' HA ' HD12 ' A' ' 21' ' ' LEU . 95.7 p -75.43 169.67 17.62 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.571 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HA ' ' O ' ' A' ' 71' ' ' HIS . 20.5 m -93.64 124.15 37.44 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.183 -0.917 . . . . 0.0 113.276 -179.722 -47.983 -70.354 -63.497 103.732 2.01 102.315 165.982 75.048 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.75 HD23 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -57.23 134.43 81.04 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.938 179.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.423 ' O ' ' CB ' ' A' ' 33' ' ' SER . 3.1 Cg_exo -53.52 122.58 11.53 Favored 'Trans proline' 0 C--N 1.316 -1.139 0 C-N-CA 120.717 0.944 . . . . 0.0 110.187 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.61 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 30.0 m95 -51.78 -48.19 63.87 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.719 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 18.0 p-10 -81.03 11.27 4.19 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.1 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 39.6 t -58.03 151.77 17.94 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.424 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -33.74 65.17 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.644 -0.823 . . . . 0.0 110.716 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -60.92 -16.28 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.28 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD23 ' HD3' ' A' ' 39' ' ' LYS . 95.6 mt -99.42 21.27 12.34 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 mt -47.37 110.87 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.609 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.58 51.32 44.35 Favored Glycine 0 N--CA 1.497 2.744 0 C-N-CA 119.613 -1.28 . . . . 0.0 109.979 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HD3' HD23 ' A' ' 36' ' ' LEU . 53.7 tttt -118.1 171.01 8.39 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.075 -1.05 . . . . 0.0 112.609 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.805 HG12 ' CD2' ' A' ' 41' ' ' TYR . 5.7 t -20.27 -79.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.698 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.805 ' CD2' HG12 ' A' ' 40' ' ' VAL . 56.6 m-85 -129.6 125.12 35.44 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.026 -1.069 . . . . 0.0 111.624 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.68 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -160.99 171.65 18.29 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.937 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' TRP . . . -87.98 -15.12 37.36 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.558 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -96.33 1.93 52.33 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' HB2' HG23 ' A' ' 42' ' ' THR . 20.7 t-20 -77.16 139.15 64.7 Favored Pre-proline 0 C--N 1.306 -1.313 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.441 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.8 -20.39 22.11 Favored 'Trans proline' 0 C--N 1.315 -1.198 0 C-N-CA 121.159 1.239 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.449 ' C ' ' HG ' ' A' ' 51' ' ' LEU . 75.6 m -104.25 16.37 26.35 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.178 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' SER . . . -35.58 -42.47 0.23 Allowed 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.195 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -57.53 -59.34 5.32 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.96 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.37 74.78 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.725 HD13 ' HA ' ' A' ' 41' ' ' TYR . 1.3 mt -58.92 -33.24 70.34 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.393 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.531 ' O ' ' NE ' ' A' ' 60' ' ' ARG . . . 81.8 14.59 77.36 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.61 ' HG ' ' CD2' ' A' ' 31' ' ' TRP . 2.9 mp -92.68 -163.35 1.03 Allowed 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.334 0.588 . . . . 0.0 111.599 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.91 -174.9 46.2 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -72.78 72.62 1.07 Allowed 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.657 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 58' ' ' TYR . 18.2 p80 -166.67 -169.87 1.46 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.74 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -120.48 17.85 12.11 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.962 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 20' ' ' SER . 38.6 m-85 -62.63 158.93 17.1 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.722 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 21' ' ' LEU . 84.3 m -90.88 144.4 25.73 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.761 179.813 -59.363 161.95 56.145 103.452 2.008 103.353 118.522 -159.053 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 52' ' ' GLY . 13.5 mmm180 -144.64 173.65 11.64 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.258 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.672 ' ND2' ' HA ' ' A' ' 68' ' ' PRO . 5.9 m120 -119.8 60.26 6.3 Favored Pre-proline 0 N--CA 1.494 1.76 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.613 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.526 ' HD3' ' C ' ' A' ' 60' ' ' ARG . 3.2 Cg_exo -54.2 -29.88 58.68 Favored 'Trans proline' 0 C--O 1.213 -0.731 0 C-N-CA 121.703 1.602 . . . . 0.0 112.168 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -13.06 37.65 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.531 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.58 31.72 12.76 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -167.94 0.22 Allowed 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 114.773 -0.713 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.38 -100.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.536 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 139.86 35.9 Favored Pre-proline 0 C--N 1.3 -1.57 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.399 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.672 ' HA ' ' ND2' ' A' ' 61' ' ' ASN . 12.1 Cg_exo -45.24 120.46 3.11 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.068 1.178 . . . . 0.0 110.065 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.65 ' CZ2' ' H61' ' A' ' 91' ' ' ACA . 47.8 p-90 -103.77 -165.62 1.17 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.979 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.556 ' N ' ' CE3' ' A' ' 69' ' ' TRP . 14.5 p -169.74 160.31 8.63 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.751 179.649 75.048 165.982 -63.497 102.315 2.01 103.732 -70.354 -47.983 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.695 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . 81.5 m-70 -66.71 157.31 33.01 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.141 -0.936 . . . . 0.0 113.299 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.675 ' CG1' HG21 ' A' ' 22' ' ' THR . 8.6 m -148.46 147.49 16.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.508 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.91 122.3 41.98 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 119.602 -0.839 . . . . 0.0 111.097 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 -172.28 2.03 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.173 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -53.06 94.63 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.952 -0.699 . . . . 0.0 112.049 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 54.99 16.87 1.64 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 4.1 ttt180 -138.27 153.75 49.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.819 -0.753 . . . . 0.0 110.779 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.761 HD23 ' C1 ' ' A' ' 91' ' ' ACA . 1.4 tp -91.28 157.98 16.83 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.572 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.544 ' CB ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -157.6 -165.88 1.88 Allowed 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.165 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 69' ' ' TRP . 59.2 p-90 -175.01 128.33 0.29 Allowed 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.601 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -134.04 167.65 20.24 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 117.996 -1.482 . . . . 0.0 112.115 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -57.1 136.77 56.37 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 119.188 -1.005 . . . . 0.0 108.527 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 5.7 t -75.85 156.69 34.16 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 118.112 -1.435 . . . . 0.0 109.031 -179.853 -159.053 118.522 56.145 103.353 2.008 103.452 161.95 -59.363 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.59 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 5.3 t70 -78.12 67.63 3.98 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.341 -1.344 . . . . 0.0 110.545 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 83' ' ' CYS . 3.7 t -96.79 106.52 30.94 Favored Pre-proline 0 N--CA 1.49 1.548 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.074 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 84' ' ' ASP . 5.2 Cg_exo -57.41 105.9 0.21 Allowed 'Trans proline' 0 C--O 1.211 -0.828 0 C-N-CA 121.639 1.559 . . . . 0.0 111.609 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -58.3 158.25 7.49 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.358 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.1 m -83.43 -25.64 31.07 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.581 179.952 -36.365 -69.212 93.382 104.813 2.022 104.102 104.612 75.524 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 m 61.93 -78.83 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.209 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 116.348 -1.787 . . . . 0.0 110.751 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ACA . . . . . 0.761 ' C1 ' HD23 ' A' ' 78' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 45.36 -128.74 1.16 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.306 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.88 -31.99 25.46 Favored Glycine 0 N--CA 1.502 3.058 0 C-N-CA 119.362 -1.399 . . . . 0.0 109.663 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 t30 49.92 67.19 0.94 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' ASP . 18.7 m -62.7 111.81 2.25 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 119.25 -0.98 . . . . 0.0 110.714 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.8 m-20 -30.75 105.88 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.91 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 86' ' ' PRO . 14.2 p -139.22 -175.81 4.3 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 119.037 -1.065 . . . . 0.0 112.111 -179.962 75.524 104.612 93.382 104.102 2.022 104.813 -69.212 -36.365 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -145.31 161.97 38.32 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.825 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.4 p90 -111.37 134.77 52.71 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.7 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.57 -81.36 0.02 OUTLIER Glycine 0 N--CA 1.498 2.801 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.253 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' PHE . 37.9 p30 -142.66 14.52 1.95 Allowed 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.709 -0.796 . . . . 0.0 111.412 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.56 48.2 28.74 Favored Glycine 0 N--CA 1.495 2.62 0 C-N-CA 118.962 -1.59 . . . . 0.0 109.365 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -70.98 -68.33 0.44 Allowed 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.313 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.63 -44.91 48.23 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.856 -0.737 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.19 153.61 14.72 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -101.29 119.38 38.67 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.16 158.38 45.94 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 119.56 -1.305 . . . . 0.0 110.45 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 p -108.08 -7.96 15.96 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.846 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.797 ' CD2' ' SG ' ' A' ' 83' ' ' CYS . 14.7 t60 -79.82 149.42 31.03 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.308 -0.957 . . . . 0.0 112.475 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.556 ' C ' ' SG ' ' A' ' 28' ' ' CYS . 5.6 p -137.67 43.67 2.26 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.352 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.689 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -159.23 152.27 22.14 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 119.737 -0.785 . . . . 0.0 111.118 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' A' ' 83' ' ' CYS . 70.2 p -84.28 149.19 26.25 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 118.859 -1.136 . . . . 0.0 112.408 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 24' ' ' SER . 6.3 pt-20 -36.08 -46.37 0.49 Allowed 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 114.841 -1.072 . . . . 0.0 113.255 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.443 ' H ' ' HG3' ' A' ' 23' ' ' GLU . 91.5 p -163.22 16.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 118.617 -1.233 . . . . 0.0 112.053 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.625 ' O ' ' HB2' ' A' ' 26' ' ' ALA . . . -85.44 -50.02 4.18 Favored Glycine 0 N--CA 1.495 2.595 0 C-N-CA 119.219 -1.467 . . . . 0.0 110.232 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 25' ' ' GLY . . . 162.3 -168.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.351 -0.424 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.558 ' HA ' HD12 ' A' ' 21' ' ' LEU . 95.7 p -75.43 169.67 17.62 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.446 -0.902 . . . . 0.0 110.571 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HA ' ' O ' ' A' ' 71' ' ' HIS . 20.5 m -93.64 124.15 37.44 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.183 -0.917 . . . . 0.0 113.276 -179.722 -47.983 -70.354 -63.497 103.732 2.01 102.315 165.982 75.048 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.75 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -57.23 134.43 81.04 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 119.101 -1.04 . . . . 0.0 108.938 179.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.423 ' O ' ' CB ' ' A' ' 33' ' ' SER . 3.1 Cg_exo -53.52 122.58 11.53 Favored 'Trans proline' 0 C--N 1.316 -1.139 0 C-N-CA 120.717 0.944 . . . . 0.0 110.187 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.61 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 30.0 m95 -51.78 -48.19 63.87 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.719 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 18.0 p-10 -81.03 11.27 4.19 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.1 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 39.6 t -58.03 151.77 17.94 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.424 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -33.74 65.17 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.644 -0.823 . . . . 0.0 110.716 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -60.92 -16.28 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 C-N-CA 119.35 -0.94 . . . . 0.0 111.28 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD23 ' HD3' ' A' ' 39' ' ' LYS . 95.6 mt -99.42 21.27 12.34 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 mt -47.37 110.87 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.609 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.58 51.32 44.35 Favored Glycine 0 N--CA 1.497 2.744 0 C-N-CA 119.613 -1.28 . . . . 0.0 109.979 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HD3' HD23 ' A' ' 36' ' ' LEU . 53.7 tttt -118.1 171.01 8.39 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 119.075 -1.05 . . . . 0.0 112.609 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.805 HG12 ' CD2' ' A' ' 41' ' ' TYR . 5.7 t -20.27 -79.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 114.376 -1.284 . . . . 0.0 113.698 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.805 ' CD2' HG12 ' A' ' 40' ' ' VAL . 56.6 m-85 -129.6 125.12 35.44 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.026 -1.069 . . . . 0.0 111.624 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.68 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -160.99 171.65 18.29 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.937 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' TRP . . . -87.98 -15.12 37.36 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.558 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -96.33 1.93 52.33 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' HB2' HG23 ' A' ' 42' ' ' THR . 20.7 t-20 -77.16 139.15 64.7 Favored Pre-proline 0 C--N 1.306 -1.313 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.441 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.8 -20.39 22.11 Favored 'Trans proline' 0 C--N 1.315 -1.198 0 C-N-CA 121.159 1.239 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.449 ' C ' ' HG ' ' A' ' 51' ' ' LEU . 75.6 m -104.25 16.37 26.35 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.781 -0.768 . . . . 0.0 111.178 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' SER . . . -35.58 -42.47 0.23 Allowed 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.195 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -57.53 -59.34 5.32 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 119.487 -0.885 . . . . 0.0 109.96 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.37 74.78 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.725 HD13 ' HA ' ' A' ' 41' ' ' TYR . 1.3 mt -58.92 -33.24 70.34 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.393 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.531 ' O ' ' NE ' ' A' ' 60' ' ' ARG . . . 81.8 14.59 77.36 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.61 ' HG ' ' CD2' ' A' ' 31' ' ' TRP . 2.9 mp -92.68 -163.35 1.03 Allowed 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.334 0.588 . . . . 0.0 111.599 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.91 -174.9 46.2 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -72.78 72.62 1.07 Allowed 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.168 -1.013 . . . . 0.0 110.657 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 58' ' ' TYR . 18.2 p80 -166.67 -169.87 1.46 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.74 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -120.48 17.85 12.11 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.962 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.512 ' HA ' ' HB3' ' A' ' 20' ' ' SER . 38.6 m-85 -62.63 158.93 17.1 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.722 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 21' ' ' LEU . 84.3 m -90.88 144.4 25.73 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.761 179.813 -59.363 161.95 56.145 103.452 2.008 103.353 118.522 -159.053 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 52' ' ' GLY . 13.5 mmm180 -144.64 173.65 11.64 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.258 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.545 ' CG ' ' HA ' ' A' ' 68' ' ' PRO . 68.0 m-20 -119.8 60.26 6.3 Favored Pre-proline 0 N--CA 1.494 1.76 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.613 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.526 ' HD3' ' C ' ' A' ' 60' ' ' ARG . 3.2 Cg_exo -54.2 -29.88 58.68 Favored 'Trans proline' 0 C--O 1.213 -0.731 0 C-N-CA 121.703 1.602 . . . . 0.0 112.168 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -13.06 37.65 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.531 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.58 31.72 12.76 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.56 -167.94 0.22 Allowed 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 114.773 -0.713 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.38 -100.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.536 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.53 139.86 35.9 Favored Pre-proline 0 C--N 1.3 -1.57 0 C-N-CA 118.59 -1.244 . . . . 0.0 108.399 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HA ' ' CG ' ' A' ' 61' ' ' ASN . 12.1 Cg_exo -45.24 120.46 3.11 Favored 'Trans proline' 0 C--N 1.321 -0.917 0 C-N-CA 121.068 1.178 . . . . 0.0 110.065 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.65 ' CZ2' ' H61' ' A' ' 91' ' ' ACA . 47.8 p-90 -103.77 -165.62 1.17 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.979 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.556 ' N ' ' CE3' ' A' ' 69' ' ' TRP . 14.5 p -169.74 160.31 8.63 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.751 179.649 75.048 165.982 -63.497 102.315 2.01 103.732 -70.354 -47.983 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.695 ' HB3' ' HG ' ' A' ' 29' ' ' LEU . 81.5 m-70 -66.71 157.31 33.01 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.141 -0.936 . . . . 0.0 113.299 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.675 ' CG1' HG21 ' A' ' 22' ' ' THR . 8.6 m -148.46 147.49 16.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.508 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.91 122.3 41.98 Favored 'General case' 0 C--N 1.291 -1.962 0 C-N-CA 119.602 -0.839 . . . . 0.0 111.097 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 -172.28 2.03 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.798 -0.761 . . . . 0.0 111.173 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -53.06 94.63 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.952 -0.699 . . . . 0.0 112.049 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 54.99 16.87 1.64 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 4.1 ttt180 -138.27 153.75 49.06 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.819 -0.753 . . . . 0.0 110.779 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.761 HD23 ' C1 ' ' A' ' 91' ' ' ACA . 1.4 tp -91.28 157.98 16.83 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.572 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.544 ' CB ' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -157.6 -165.88 1.88 Allowed 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.165 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 69' ' ' TRP . 59.2 p-90 -175.01 128.33 0.29 Allowed 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.601 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -134.04 167.65 20.24 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 117.996 -1.482 . . . . 0.0 112.115 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -57.1 136.77 56.37 Favored 'General case' 0 C--O 1.206 -1.193 0 C-N-CA 119.188 -1.005 . . . . 0.0 108.527 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.797 ' SG ' ' CD2' ' A' ' 19' ' ' HIS . 5.7 t -75.85 156.69 34.16 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 118.112 -1.435 . . . . 0.0 109.031 -179.853 -159.053 118.522 56.145 103.353 2.008 103.452 161.95 -59.363 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.476 ' O ' ' HD3' ' A' ' 86' ' ' PRO . 5.3 t70 -78.12 67.63 3.98 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 118.341 -1.344 . . . . 0.0 110.545 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 83' ' ' CYS . 3.7 t -96.79 106.52 30.94 Favored Pre-proline 0 N--CA 1.49 1.548 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.074 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 84' ' ' ASP . 5.2 Cg_exo -57.41 105.9 0.21 Allowed 'Trans proline' 0 C--O 1.211 -0.828 0 C-N-CA 121.639 1.559 . . . . 0.0 111.609 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -58.3 158.25 7.49 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.358 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.1 m -83.43 -25.64 31.07 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.581 179.952 -36.365 -69.212 93.382 104.813 2.022 104.102 104.612 75.524 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 m 61.93 -78.83 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.209 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 116.348 -1.787 . . . . 0.0 110.751 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ACA . . . . . 0.761 ' C1 ' HD23 ' A' ' 78' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_