data_5hck_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 5hck _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.042 0.449 . . . . 5.22 110.215 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.09 114.84 9.56 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.643 -0.661 . . . . 4.2 110.163 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -143.87 -161.74 1.33 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.546 -0.721 . . . . 1.71 109.742 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.439 ' CG1' ' HB ' ' A' ' 107' ' ' VAL . 0.2 OUTLIER -121.58 55.77 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.462 -0.774 . . . . 2.22 110.532 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 106' ' ' VAL . 72.0 mt -99.15 136.19 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.879 -1.138 . . . . 1.29 110.109 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.77 168.82 10.49 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.898 -0.501 . . . . 1.08 109.924 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.2 p -126.31 123.0 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.515 -0.741 . . . . 1.1 109.019 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 99' ' ' PHE . . . -63.05 116.37 5.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.375 -0.828 . . . . 1.07 109.066 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.408 ' C ' ' CG ' ' A' ' 87' ' ' TYR . 76.9 mt -94.15 6.16 49.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.659 -0.416 . . . . 1.28 111.162 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.459 ' CA ' ' HA ' ' A' ' 101' ' ' LYS . 68.8 m-85 -153.11 150.83 29.51 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.205 -0.934 . . . . 1.02 108.883 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -71.59 141.28 50.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.639 -0.663 . . . . 1.14 110.387 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.467 ' CB ' ' CE1' ' A' ' 99' ' ' PHE . 27.2 t80 -154.99 163.23 40.61 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.497 -0.752 . . . . 1.03 110.061 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -132.41 148.3 52.4 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.415 -0.803 . . . . 2.77 111.005 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.48 151.63 13.01 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.665 -0.647 . . . . 1.47 110.974 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.7 mm -140.82 -57.16 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.6 -0.688 . . . . 2.72 110.031 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -79.11 -167.58 1.2 Allowed 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.265 -0.897 . . . . 5.03 111.432 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -66.55 -77.09 0.07 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.448 -0.783 . . . . 3.25 110.592 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 3.8 tp10 -78.82 57.71 2.17 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.239 -0.913 . . . . 1.75 109.531 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -97.28 177.11 5.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.64 -0.662 . . . . 1.42 110.376 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.2 tp -153.02 129.8 10.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.485 -0.759 . . . . 1.81 110.603 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -94.79 131.08 41.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.559 -0.713 . . . . 0.73 110.388 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE1' ' CB ' ' A' ' 89' ' ' TYR . 16.0 p90 -132.9 -176.22 4.04 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.654 -0.654 . . . . 0.53 110.261 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.98 178.36 4.75 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.938 0.875 . . . . 2.01 111.122 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.459 ' HA ' ' CA ' ' A' ' 87' ' ' TYR . 16.0 ttmt -61.14 -21.49 63.81 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.323 1.231 . . . . 1.2 114.323 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.28 41.21 1.36 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.394 -1.482 . . . . 0.36 109.394 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.408 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 1.7 m-20 -91.32 170.45 9.97 Favored 'General case' 0 N--CA 1.507 2.421 0 O-C-N 121.807 -0.82 . . . . 1.08 111.553 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.4 132.63 54.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.379 -0.825 . . . . 0.5 110.272 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 74.9 mtm -138.6 148.88 44.65 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 109.388 -0.597 . . . . 1.13 109.388 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 82' ' ' ILE . 34.9 t -97.01 154.04 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.048 -1.093 . . . . 1.55 108.048 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.439 ' HB ' ' CG1' ' A' ' 81' ' ' ILE . 80.6 t -98.5 138.94 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.177 -0.952 . . . . 1.15 109.521 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 117' ' ' ALA . 4.4 mp -94.12 -33.2 13.44 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.946 -0.761 . . . . 1.17 108.946 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -155.43 172.54 18.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.774 -0.578 . . . . 1.24 110.199 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -125.18 116.73 22.48 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.585 -0.697 . . . . 2.11 109.693 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.3 t -110.0 -73.42 0.68 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.502 -0.749 . . . . 1.25 110.386 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.81 -91.8 0.08 OUTLIER Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.289 -1.125 . . . . 1.63 110.289 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -64.35 -46.77 82.0 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.531 -0.982 . . . . 2.79 111.247 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.429 ' CZ3' ' HG3' ' A' ' 129' ' ' PRO . 34.6 m95 -127.63 139.27 52.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.444 -0.785 . . . . 0.99 109.509 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.409 ' CD2' ' OG ' ' A' ' 130' ' ' SER . 34.8 m0 -118.05 161.03 20.49 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.354 -0.841 . . . . 0.76 110.549 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -99.91 119.54 38.38 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.501 -0.749 . . . . 1.93 109.901 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.413 ' HA ' ' CD1' ' A' ' 108' ' ' LEU . . . -129.8 163.34 26.45 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.148 -0.97 . . . . 1.05 112.56 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.485 ' HA ' ' HA ' ' A' ' 125' ' ' GLU . 3.9 ttt180 -113.88 118.41 34.12 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.431 -0.793 . . . . 1.84 110.495 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -74.54 118.11 17.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.537 -0.727 . . . . 0.88 109.532 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.65 -25.0 63.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.812 -0.555 . . . . 1.24 110.35 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.4 55.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.483 -0.761 . . . . 1.12 110.284 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.8 p -140.49 12.99 2.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.6 -0.688 . . . . 1.07 110.767 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 52.53 29.05 6.61 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.075 -1.015 . . . . 3.07 110.766 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -105.83 173.14 6.44 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.904 -0.776 . . . . 1.84 108.904 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 15.7 pm0 -155.37 145.65 21.85 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.337 -0.945 . . . . 1.42 111.983 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -167.79 -142.51 3.49 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 109.166 -1.574 . . . . 0.33 109.166 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 70.1 m-85 -94.06 158.85 15.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.77 -0.841 . . . . 1.02 110.794 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.9 pp -149.62 115.45 3.56 Favored Pre-proline 0 N--CA 1.493 1.718 0 N-CA-C 109.383 -0.599 . . . . 1.17 109.383 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.429 ' HG3' ' CZ3' ' A' ' 114' ' ' TRP . 52.8 Cg_exo -54.23 110.23 0.49 Allowed 'Trans proline' 0 N--CA 1.492 1.424 0 O-C-N 123.063 1.033 . . . . 0.75 111.47 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.409 ' OG ' ' CD2' ' A' ' 115' ' ' TRP . 13.4 m -62.63 -30.96 71.75 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.707 -0.621 . . . . 1.11 111.587 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -71.19 -12.55 61.54 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.351 -0.843 . . . . 1.69 111.665 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -122.89 45.23 2.45 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.165 -0.96 . . . . 1.6 109.883 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 130' ' ' SER . 7.6 p -156.0 169.98 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.456 -0.778 . . . . 1.53 110.743 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -121.49 118.96 30.63 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.43 -0.581 . . . . 1.13 109.43 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -92.89 128.7 38.85 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.298 -0.876 . . . . 3.14 111.567 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 29.2 m -133.49 157.53 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.783 -0.573 . . . . 1.41 109.763 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -113.64 68.49 0.69 Allowed 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.531 -0.731 . . . . 3.41 109.66 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 117.969 -1.015 . . . . 5.78 110.17 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.042 0.449 . . . . 4.79 110.215 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.09 114.84 9.56 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.643 -0.661 . . . . 4.2 110.163 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.405 ' H ' ' CA ' ' A' ' 137' ' ' ASP . 56.8 m-20 -143.87 -161.74 1.33 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.546 -0.721 . . . . 1.71 109.742 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.528 HD13 ' H ' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -121.58 55.77 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.462 -0.774 . . . . 1.64 110.532 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.484 ' O ' HG22 ' A' ' 136' ' ' VAL . 72.0 mt -99.15 136.19 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.879 -1.138 . . . . 0.65 110.109 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 135' ' ' ARG . 35.9 m -118.77 168.82 10.49 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.898 -0.501 . . . . 0.38 109.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.96 HG12 ' HB3' ' A' ' 134' ' ' ALA . 6.2 p -126.31 123.0 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.515 -0.741 . . . . 0.32 109.019 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.556 ' HB1' ' CD1' ' A' ' 99' ' ' PHE . . . -63.05 116.37 5.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.375 -0.828 . . . . 0.27 109.066 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.982 HD11 ' HB2' ' A' ' 134' ' ' ALA . 76.9 mt -94.15 6.16 49.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.659 -0.416 . . . . 0.57 111.162 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.457 ' CA ' ' HA ' ' A' ' 101' ' ' LYS . 68.8 m-85 -153.11 150.83 29.51 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.205 -0.934 . . . . 0.82 108.883 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -71.59 141.28 50.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.639 -0.663 . . . . 1.14 110.387 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.467 ' CB ' ' CE1' ' A' ' 99' ' ' PHE . 27.2 t80 -154.99 163.23 40.61 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.497 -0.752 . . . . 0.53 110.061 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -132.41 148.3 52.4 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.415 -0.803 . . . . 2.77 111.005 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.786 ' HB1' ' CG ' ' A' ' 96' ' ' ASP . . . -56.48 151.63 13.01 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.665 -0.647 . . . . 0.68 110.974 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.7 mm -140.82 -57.16 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.6 -0.688 . . . . 2.29 110.031 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -79.11 -167.58 1.2 Allowed 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.265 -0.897 . . . . 4.35 111.432 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -66.55 -77.09 0.07 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.448 -0.783 . . . . 2.64 110.592 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 3.8 tp10 -78.82 57.71 2.17 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.239 -0.913 . . . . 1.75 109.531 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.786 ' CG ' ' HB1' ' A' ' 91' ' ' ALA . 52.3 p30 -97.28 177.11 5.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.64 -0.662 . . . . 1.42 110.376 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 119' ' ' SER . 27.2 tp -153.02 129.8 10.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.485 -0.759 . . . . 1.19 110.603 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -94.79 131.08 41.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.559 -0.713 . . . . 0.73 110.388 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.556 ' CD1' ' HB1' ' A' ' 85' ' ' ALA . 16.0 p90 -132.9 -176.22 4.04 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.654 -0.654 . . . . 0.29 110.261 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.98 178.36 4.75 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.938 0.875 . . . . 1.29 111.122 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.457 ' HA ' ' CA ' ' A' ' 87' ' ' TYR . 16.0 ttmt -61.14 -21.49 63.81 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.323 1.231 . . . . 0.51 114.323 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.28 41.21 1.36 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.394 -1.482 . . . . 0.3 109.394 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 84' ' ' VAL . 1.7 m-20 -91.32 170.45 9.97 Favored 'General case' 0 N--CA 1.507 2.421 0 O-C-N 121.807 -0.82 . . . . 1.08 111.553 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.4 132.63 54.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.379 -0.825 . . . . 0.46 110.272 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 74.9 mtm -138.6 148.88 44.65 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 109.388 -0.597 . . . . 1.13 109.388 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.499 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 34.9 t -97.01 154.04 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.048 -1.093 . . . . 0.99 108.048 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 81' ' ' ILE . 80.6 t -98.5 138.94 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.177 -0.952 . . . . 0.37 109.521 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 117' ' ' ALA . 4.4 mp -94.12 -33.2 13.44 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.946 -0.761 . . . . 0.35 108.946 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -155.43 172.54 18.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.774 -0.578 . . . . 1.24 110.199 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -125.18 116.73 22.48 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.585 -0.697 . . . . 2.11 109.693 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.3 t -110.0 -73.42 0.68 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.502 -0.749 . . . . 0.94 110.386 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.81 -91.8 0.08 OUTLIER Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.289 -1.125 . . . . 1.63 110.289 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -64.35 -46.77 82.0 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.531 -0.982 . . . . 2.79 111.247 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 129' ' ' PRO . 34.6 m95 -127.63 139.27 52.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.444 -0.785 . . . . 0.82 109.509 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -118.05 161.03 20.49 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.354 -0.841 . . . . 0.64 110.549 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 126' ' ' GLY . 5.1 tttt -99.91 119.54 38.38 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.501 -0.749 . . . . 1.41 109.901 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.695 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -129.8 163.34 26.45 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.148 -0.97 . . . . 0.21 112.56 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 125' ' ' GLU . 3.9 ttt180 -113.88 118.41 34.12 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.431 -0.793 . . . . 1.61 110.495 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.767 ' HB2' HD21 ' A' ' 97' ' ' LEU . 1.1 t -74.54 118.11 17.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.537 -0.727 . . . . 0.32 109.532 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.416 HD11 ' CG2' ' A' ' 106' ' ' VAL . 12.9 mt -69.65 -25.0 63.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.812 -0.555 . . . . 0.5 110.35 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.4 55.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.483 -0.761 . . . . 0.41 110.284 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.8 p -140.49 12.99 2.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.6 -0.688 . . . . 0.38 110.767 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 52.53 29.05 6.61 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.075 -1.015 . . . . 2.44 110.766 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 118' ' ' ARG . 25.0 mttt -105.83 173.14 6.44 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.904 -0.776 . . . . 1.39 108.904 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 15.7 pm0 -155.37 145.65 21.85 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.337 -0.945 . . . . 1.42 111.983 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 116' ' ' LYS . . . -167.79 -142.51 3.49 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 109.166 -1.574 . . . . 0.29 109.166 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 70.1 m-85 -94.06 158.85 15.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.77 -0.841 . . . . 0.57 110.794 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.514 ' O ' HD12 ' A' ' 128' ' ' ILE . 1.9 pp -149.62 115.45 3.56 Favored Pre-proline 0 N--CA 1.493 1.718 0 N-CA-C 109.383 -0.599 . . . . 0.45 109.383 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.427 ' HG3' ' CH2' ' A' ' 114' ' ' TRP . 52.8 Cg_exo -54.23 110.23 0.49 Allowed 'Trans proline' 0 N--CA 1.492 1.424 0 O-C-N 123.063 1.033 . . . . 0.63 111.47 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.47 ' HA ' ' CG1' ' A' ' 133' ' ' VAL . 13.4 m -62.63 -30.96 71.75 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.707 -0.621 . . . . 0.71 111.587 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -71.19 -12.55 61.54 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.351 -0.843 . . . . 1.08 111.665 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -122.89 45.23 2.45 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.165 -0.96 . . . . 1.22 109.883 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 134' ' ' ALA . 7.6 p -156.0 169.98 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.456 -0.778 . . . . 0.93 110.743 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.982 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -121.49 118.96 30.63 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.43 -0.581 . . . . 0.39 109.43 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.772 ' HA ' HG12 ' A' ' 83' ' ' VAL . 12.7 ttp180 -92.89 128.7 38.85 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.298 -0.876 . . . . 2.55 111.567 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 82' ' ' ILE . 29.2 m -133.49 157.53 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.783 -0.573 . . . . 0.86 109.763 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.405 ' CA ' ' H ' ' A' ' 80' ' ' ASP . 52.2 p-10 -113.64 68.49 0.69 Allowed 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.531 -0.731 . . . . 3.41 109.66 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 117.969 -1.015 . . . . 5.44 110.17 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.042 0.449 . . . . 4.79 110.215 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.09 114.84 9.56 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.643 -0.661 . . . . 4.2 110.163 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.405 ' H ' ' CA ' ' A' ' 137' ' ' ASP . 56.8 m-20 -143.87 -161.74 1.33 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.546 -0.721 . . . . 1.71 109.742 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.528 HD13 ' H ' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -121.58 55.77 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.462 -0.774 . . . . 1.64 110.532 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.484 ' O ' HG22 ' A' ' 136' ' ' VAL . 72.0 mt -99.15 136.19 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.879 -1.138 . . . . 0.65 110.109 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 135' ' ' ARG . 35.9 m -118.77 168.82 10.49 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 O-C-N 121.898 -0.501 . . . . 0.38 109.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.96 HG12 ' HB3' ' A' ' 134' ' ' ALA . 6.2 p -126.31 123.0 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.515 -0.741 . . . . 0.32 109.019 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.556 ' HB1' ' CD1' ' A' ' 99' ' ' PHE . . . -63.05 116.37 5.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.375 -0.828 . . . . 0.27 109.066 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.982 HD11 ' HB2' ' A' ' 134' ' ' ALA . 76.9 mt -94.15 6.16 49.45 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.659 -0.416 . . . . 0.57 111.162 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.457 ' CA ' ' HA ' ' A' ' 101' ' ' LYS . 68.8 m-85 -153.11 150.83 29.51 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.205 -0.934 . . . . 0.82 108.883 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -71.59 141.28 50.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.639 -0.663 . . . . 1.14 110.387 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.467 ' CB ' ' CE1' ' A' ' 99' ' ' PHE . 27.2 t80 -154.99 163.23 40.61 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.497 -0.752 . . . . 0.53 110.061 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -132.41 148.3 52.4 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.415 -0.803 . . . . 2.77 111.005 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.786 ' HB1' ' CG ' ' A' ' 96' ' ' ASP . . . -56.48 151.63 13.01 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.665 -0.647 . . . . 0.68 110.974 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.7 mm -140.82 -57.16 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.6 -0.688 . . . . 2.29 110.031 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -79.11 -167.58 1.2 Allowed 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.265 -0.897 . . . . 4.35 111.432 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -66.55 -77.09 0.07 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.448 -0.783 . . . . 2.64 110.592 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 3.8 tp10 -78.82 57.71 2.17 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.239 -0.913 . . . . 1.75 109.531 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.786 ' CG ' ' HB1' ' A' ' 91' ' ' ALA . 52.3 p30 -97.28 177.11 5.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.64 -0.662 . . . . 1.42 110.376 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 119' ' ' SER . 27.2 tp -153.02 129.8 10.89 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.485 -0.759 . . . . 1.19 110.603 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -94.79 131.08 41.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.559 -0.713 . . . . 0.73 110.388 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.556 ' CD1' ' HB1' ' A' ' 85' ' ' ALA . 16.0 p90 -132.9 -176.22 4.04 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.654 -0.654 . . . . 0.29 110.261 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.98 178.36 4.75 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.938 0.875 . . . . 1.29 111.122 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.457 ' HA ' ' CA ' ' A' ' 87' ' ' TYR . 16.0 ttmt -61.14 -21.49 63.81 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.323 1.231 . . . . 0.51 114.323 -178.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.28 41.21 1.36 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.394 -1.482 . . . . 0.3 109.394 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 84' ' ' VAL . 1.7 m-20 -91.32 170.45 9.97 Favored 'General case' 0 N--CA 1.507 2.421 0 O-C-N 121.807 -0.82 . . . . 1.08 111.553 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.4 132.63 54.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.379 -0.825 . . . . 0.46 110.272 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 74.9 mtm -138.6 148.88 44.65 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 109.388 -0.597 . . . . 1.13 109.388 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.499 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 34.9 t -97.01 154.04 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.048 -1.093 . . . . 0.99 108.048 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 81' ' ' ILE . 80.6 t -98.5 138.94 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.177 -0.952 . . . . 0.37 109.521 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 117' ' ' ALA . 4.4 mp -94.12 -33.2 13.44 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.946 -0.761 . . . . 0.35 108.946 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -155.43 172.54 18.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.774 -0.578 . . . . 1.24 110.199 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -125.18 116.73 22.48 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.585 -0.697 . . . . 2.11 109.693 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.3 t -110.0 -73.42 0.68 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.502 -0.749 . . . . 0.94 110.386 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.81 -91.8 0.08 OUTLIER Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.289 -1.125 . . . . 1.63 110.289 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -64.35 -46.77 82.0 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.531 -0.982 . . . . 2.79 111.247 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 129' ' ' PRO . 34.6 m95 -127.63 139.27 52.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.444 -0.785 . . . . 0.82 109.509 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -118.05 161.03 20.49 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.354 -0.841 . . . . 0.64 110.549 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 126' ' ' GLY . 5.1 tttt -99.91 119.54 38.38 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.501 -0.749 . . . . 1.41 109.901 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.695 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -129.8 163.34 26.45 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.148 -0.97 . . . . 0.21 112.56 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 125' ' ' GLU . 3.9 ttt180 -113.88 118.41 34.12 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.431 -0.793 . . . . 1.61 110.495 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.767 ' HB2' HD21 ' A' ' 97' ' ' LEU . 1.1 t -74.54 118.11 17.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.537 -0.727 . . . . 0.32 109.532 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.416 HD11 ' CG2' ' A' ' 106' ' ' VAL . 12.9 mt -69.65 -25.0 63.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.812 -0.555 . . . . 0.5 110.35 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.4 55.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.483 -0.761 . . . . 0.41 110.284 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.8 p -140.49 12.99 2.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.6 -0.688 . . . . 0.38 110.767 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 52.53 29.05 6.61 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.075 -1.015 . . . . 2.44 110.766 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 118' ' ' ARG . 25.0 mttt -105.83 173.14 6.44 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.904 -0.776 . . . . 1.39 108.904 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 15.7 pm0 -155.37 145.65 21.85 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.337 -0.945 . . . . 1.42 111.983 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 116' ' ' LYS . . . -167.79 -142.51 3.49 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 109.166 -1.574 . . . . 0.29 109.166 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' ' 95' ' ' GLU . 70.1 m-85 -94.06 158.85 15.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.77 -0.841 . . . . 0.57 110.794 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.514 ' O ' HD12 ' A' ' 128' ' ' ILE . 1.9 pp -149.62 115.45 3.56 Favored Pre-proline 0 N--CA 1.493 1.718 0 N-CA-C 109.383 -0.599 . . . . 0.45 109.383 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.427 ' HG3' ' CH2' ' A' ' 114' ' ' TRP . 52.8 Cg_exo -54.23 110.23 0.49 Allowed 'Trans proline' 0 N--CA 1.492 1.424 0 O-C-N 123.063 1.033 . . . . 0.63 111.47 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.47 ' HA ' ' CG1' ' A' ' 133' ' ' VAL . 13.4 m -62.63 -30.96 71.75 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.707 -0.621 . . . . 0.71 111.587 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -71.19 -12.55 61.54 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.351 -0.843 . . . . 1.08 111.665 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -122.89 45.23 2.45 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.165 -0.96 . . . . 1.22 109.883 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 134' ' ' ALA . 7.6 p -156.0 169.98 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.456 -0.778 . . . . 0.93 110.743 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.982 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -121.49 118.96 30.63 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.43 -0.581 . . . . 0.39 109.43 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.772 ' HA ' HG12 ' A' ' 83' ' ' VAL . 12.7 ttp180 -92.89 128.7 38.85 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.298 -0.876 . . . . 2.55 111.567 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 82' ' ' ILE . 29.2 m -133.49 157.53 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.783 -0.573 . . . . 0.86 109.763 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.405 ' CA ' ' H ' ' A' ' 80' ' ' ASP . 52.2 p-10 -113.64 68.49 0.69 Allowed 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.531 -0.731 . . . . 3.41 109.66 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 117.969 -1.015 . . . . 5.44 110.17 -179.936 . . . . . . . . 0 0 . 1 stop_ save_