data_2h41_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 2h41 _Structure_validation_residue.Date_analyzed 2017-03-24 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 108.148 -1.981 . . . . 13.34 108.148 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 1.306 ' O ' ' N ' ' A' ' 4' ' ' GLY . 73.5 Cg_endo -75.24 19.99 0.5 Allowed 'Trans proline' 0 C--N 1.298 -2.084 0 C-N-CA 121.574 1.516 . . . . 13.57 111.847 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 1.382 ' HB2' ' CD2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER 21.4 19.17 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.183 -1.414 . . . . 12.79 107.183 -178.537 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 1.306 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 65.72 18.6 66.32 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 109.05 -1.62 . . . . 10.34 109.05 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 1.074 ' HB3' ' O ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER 116.28 -37.19 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.474 -0.863 . . . . 9.38 109.611 -178.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 1.382 ' CD2' ' HB2' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 56.86 15.67 2.37 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.368 -0.975 . . . . 10.97 108.368 -178.285 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.243 ' O ' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER 29.8 -3.21 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 102.792 -3.04 . . . . 10.52 102.792 -176.489 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.979 HG12 ' N ' ' A' ' 9' ' ' ALA . 2.2 p 12.3 -49.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-N 112.346 -2.206 . . . . 7.48 109.212 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 1.338 ' O ' HG21 ' A' ' 10' ' ' THR . . . -26.42 -80.38 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 108.833 -0.803 . . . . 7.69 108.833 177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 1.338 HG21 ' O ' ' A' ' 9' ' ' ALA . 9.0 t 102.52 -108.06 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.952 0.882 . . . . 6.46 111.376 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 1.031 ' H ' ' CG2' ' A' ' 10' ' ' THR . 0.1 OUTLIER -37.91 113.97 0.32 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.188 -1.369 . . . . 4.59 111.914 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.665 ' OE1' HD12 ' A' ' 17' ' ' ILE . 15.3 mt-10 -9.35 72.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.529 -0.76 . . . . 3.21 110.814 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 11' ' ' SER . 81.0 p -18.93 -7.54 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.371 -1.344 . . . . 3.64 107.371 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.85 96.73 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 113.968 -1.469 . . . . 3.39 109.561 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 1.108 ' O ' HG13 ' A' ' 17' ' ' ILE . 2.1 m -93.39 -76.62 0.47 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.646 -0.422 . . . . 2.23 110.724 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 1.091 ' O ' ' OG ' ' A' ' 21' ' ' SER . 1.6 mm-40 -35.83 69.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 4.53 110.591 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 1.108 HG13 ' O ' ' A' ' 15' ' ' THR . 55.8 mt -86.0 -23.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.612 -0.435 . . . . 2.01 109.887 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' A' ' 21' ' ' SER . 40.3 p -45.79 137.77 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.578 -0.527 . . . . 2.22 109.578 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.862 ' O ' ' OG ' ' A' ' 20' ' ' SER . . . 54.11 16.81 1.25 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.456 -0.572 . . . . 1.29 109.456 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.862 ' OG ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER 67.72 28.33 7.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 1.25 110.016 -179.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 1.091 ' OG ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -53.89 167.57 0.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.759 -0.655 . . . . 1.16 110.959 -179.528 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CZ ' HG22 ' A' ' 95' ' ' THR . 7.9 m-30 -133.54 145.51 50.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.78 110.167 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.522 HG23 ' HG2' ' A' ' 16' ' ' GLU . 41.8 t -124.26 101.69 9.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.102 -0.703 . . . . 1.08 109.102 177.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 25' ' ' SER . 71.7 t -112.92 139.67 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.013 -0.539 . . . . 1.1 111.104 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.466 ' N ' HG11 ' A' ' 24' ' ' VAL . 67.6 p -128.69 152.52 48.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.87 109.789 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.642 ' CD1' HD12 ' A' ' 88' ' ' ILE . 39.8 p90 -144.82 -164.97 2.04 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.771 -0.372 . . . . 0.37 110.691 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.74 ' O ' ' N ' ' A' ' 29' ' ' ALA . 32.6 t -123.92 127.15 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 1.14 110.801 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 1.156 ' O ' ' N ' ' A' ' 30' ' ' SER . 4.0 p -57.88 58.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.91 110.347 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -38.07 24.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.91 -0.586 . . . . 1.56 111.494 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 1.156 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.6 OUTLIER 179.22 128.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.632 -0.427 . . . . 1.56 110.92 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -86.51 -9.56 55.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.556 . . . . 1.88 110.336 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.9 p -87.12 0.24 55.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 1.63 110.3 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.963 HG11 ' O ' ' A' ' 30' ' ' SER . 2.5 p -65.25 137.19 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 1.11 110.056 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 79' ' ' ILE . 75.0 m -96.29 -15.44 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.249 0.547 . . . . 1.01 110.013 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.57 175.58 45.77 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 109.857 -1.297 . . . . 0.14 109.857 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -123.44 151.54 42.57 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.653 -0.419 . . . . 0.21 110.491 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.888 ' NE ' HE22 ' A' ' 85' ' ' GLN . 18.4 ttp180 -132.33 121.21 23.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.17 -0.468 . . . . 1.54 109.987 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG23 HG11 ' A' ' 61' ' ' VAL . 46.4 t -105.15 136.6 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.752 -0.658 . . . . 1.08 110.624 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.677 ' HG3' ' CE1' ' A' ' 51' ' ' TYR . 44.1 tt0 -129.31 129.8 45.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 1.32 110.151 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 35.6 p90 -138.66 135.32 34.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.05 -0.523 . . . . 1.05 110.625 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -145.28 161.36 39.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 1.16 109.708 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.937 HD21 ' CE2' ' A' ' 72' ' ' TYR . 86.2 mt -71.08 124.83 25.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.035 0.445 . . . . 1.23 110.758 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.494 ' OG ' ' HB3' ' A' ' 71' ' ' LYS . 19.4 p -71.73 -7.68 49.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.739 -0.664 . . . . 0.86 110.865 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -109.87 -69.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 1.66 111.403 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 1.494 ' CD ' HH21 ' A' ' 70' ' ' ARG . 54.3 mt-10 -60.67 -35.42 76.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 1.66 111.446 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.082 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . 79.2 7.26 88.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.803 -0.919 . . . . 1.62 110.803 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 1.308 ' OD1' ' CD ' ' A' ' 48' ' ' GLU . 37.5 t0 -27.99 -171.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 1.86 110.293 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 1.308 ' CD ' ' OD1' ' A' ' 47' ' ' ASP . 3.1 pm0 -82.29 139.1 45.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.428 . . . . 1.98 110.136 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.85 145.81 51.82 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 C-N-CA 122.756 2.304 . . . . 0.62 112.326 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 40' ' ' TYR . 10.9 mt-30 -115.87 145.67 42.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.236 -0.653 . . . . 1.14 109.236 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.677 ' CE1' ' HG3' ' A' ' 39' ' ' GLU . 48.0 m-85 -123.26 141.33 52.09 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.355 -0.538 . . . . 1.44 111.49 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 52' ' ' LEU . 70.8 mt -128.08 127.69 43.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.36 -0.836 . . . . 1.08 108.972 178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -101.71 131.16 48.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.204 0.526 . . . . 1.09 111.731 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.507 HD13 ' HB ' ' A' ' 61' ' ' VAL . 6.0 mt -127.95 157.63 73.21 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.293 -0.867 . . . . 1.04 109.594 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -69.84 158.02 58.27 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.385 2.057 . . . . 0.21 112.239 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 13.2 p -59.24 -12.17 5.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.769 -0.65 . . . . 0.88 110.66 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.5 p -92.89 -8.68 42.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 1.06 110.663 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.22 135.41 34.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 1.05 110.353 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.0 p -133.17 16.79 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 1.07 110.581 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.1 p -167.57 147.15 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.629 -0.508 . . . . 0.92 109.629 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.507 ' HB ' HD13 ' A' ' 54' ' ' LEU . 6.0 p -152.2 150.5 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.469 -0.492 . . . . 1.09 111.517 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.494 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 3.9 t-20 -106.3 124.96 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.572 -0.74 . . . . 1.31 109.822 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.523 HG21 HD21 ' A' ' 66' ' ' LEU . 1.8 mt -99.48 104.94 30.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 1.09 110.993 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 62' ' ' ASN . 86.8 Cg_endo -90.99 -179.52 1.5 Allowed 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 123.143 2.562 . . . . 0.48 112.26 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 61.68 32.67 18.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.417 -0.811 . . . . 1.26 111.484 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.523 HD21 HG21 ' A' ' 63' ' ' ILE . 24.0 mt -86.41 148.47 25.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.489 -0.323 . . . . 1.12 110.475 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.777 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 26.2 mt -88.23 114.85 61.24 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.989 0.423 . . . . 1.3 110.686 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -58.98 140.63 96.2 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.824 2.349 . . . . 0.92 111.994 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.02 21.25 74.39 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.08 -0.808 . . . . 0.44 111.08 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 1.494 HH21 ' CD ' ' A' ' 45' ' ' GLU . 9.7 mmm-85 -126.87 150.16 49.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 3.05 110.639 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 75.2 tttt -100.17 131.64 46.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.104 -0.498 . . . . 1.48 109.802 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.937 ' CE2' HD21 ' A' ' 42' ' ' LEU . 74.8 m-85 -120.55 148.34 43.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.068 -0.514 . . . . 0.89 111.011 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 72.3 mt -105.33 125.37 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.242 -1.022 . . . . 1.12 108.242 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 t -114.52 132.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.093 0.473 . . . . 1.1 111.309 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -136.51 122.52 20.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.573 -0.739 . . . . 0.43 109.625 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.584 HG12 ' CD2' ' A' ' 26' ' ' TRP . 13.9 t -101.02 125.37 54.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.258 -0.428 . . . . 1.07 110.683 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.663 ' CE1' HD11 ' A' ' 87' ' ' LEU . 48.0 m-85 -117.18 137.86 52.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.003 -0.544 . . . . 0.92 109.945 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.556 ' NE2' ' HB2' ' A' ' 30' ' ' SER . 0.5 OUTLIER -100.69 134.99 42.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.745 -0.835 . . . . 0.49 108.745 178.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 34' ' ' SER . 50.8 mt -99.08 122.86 51.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.147 0.499 . . . . 1.08 110.974 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.985 ' OG ' ' OD1' ' A' ' 82' ' ' ASP . 87.6 p -83.74 169.65 15.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.486 -0.779 . . . . 0.89 110.52 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -59.75 -14.49 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.024 -0.535 . . . . 1.6 110.992 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.985 ' OD1' ' OG ' ' A' ' 80' ' ' SER . 57.3 p30 -96.12 -4.26 43.09 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.872 -0.331 . . . . 1.18 110.796 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.8 13.84 64.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.347 -0.701 . . . . 0.34 111.347 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -84.64 139.11 32.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.634 0.254 . . . . 1.22 110.492 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.888 HE22 ' NE ' ' A' ' 37' ' ' ARG . 81.5 mt-30 -106.75 141.0 38.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 1.44 110.537 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t -136.67 127.09 26.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 1.39 110.405 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.663 HD11 ' CE1' ' A' ' 77' ' ' TYR . 25.5 tp -68.22 117.31 9.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.339 -0.391 . . . . 1.08 110.492 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.642 HD12 ' CD1' ' A' ' 26' ' ' TRP . 44.1 pt -109.03 -21.85 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 1.08 110.703 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 tp -156.88 125.72 5.87 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.517 -0.473 . . . . 1.1 111.526 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.2 t -132.74 120.25 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.728 -0.669 . . . . 0.94 109.526 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 t -154.58 151.72 29.18 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.725 -0.39 . . . . 1.07 110.919 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.0 p -110.52 158.61 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 0.89 110.375 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -146.09 157.88 43.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.67 110.673 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.29 104.32 9.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 1.17 110.043 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.481 HG22 ' CZ ' ' A' ' 22' ' ' PHE . 67.4 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.901 -1.047 . . . . 1.26 110.608 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 108.148 -1.981 . . . . 13.08 108.148 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 1.306 ' O ' ' N ' ' A' ' 4' ' ' GLY . 73.5 Cg_endo -75.24 19.99 0.5 Allowed 'Trans proline' 0 C--N 1.298 -2.084 0 C-N-CA 121.574 1.516 . . . . 12.94 111.847 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.168 ' HB2' ' CG ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER 21.4 19.17 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.183 -1.414 . . . . 12.38 107.183 -178.537 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.306 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 65.72 18.6 66.32 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 109.05 -1.62 . . . . 10.08 109.05 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 1.051 ' HB3' ' O ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER 116.28 -37.19 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.474 -0.863 . . . . 9.17 109.611 -178.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 1.168 ' CG ' ' HB2' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 56.86 15.67 2.37 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.368 -0.975 . . . . 10.56 108.368 -178.285 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.243 ' O ' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER 29.8 -3.21 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 102.792 -3.04 . . . . 10.19 102.792 -176.489 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.669 ' O ' ' C ' ' A' ' 9' ' ' ALA . 2.2 p 12.3 -49.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-N 112.346 -2.206 . . . . 7.28 109.212 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 1.286 ' O ' ' CG2' ' A' ' 10' ' ' THR . . . -26.42 -80.38 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 108.833 -0.803 . . . . 7.3 108.833 177.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 1.286 ' CG2' ' O ' ' A' ' 9' ' ' ALA . 9.0 t 102.52 -108.06 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.952 0.882 . . . . 6.44 111.376 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 1.117 ' N ' HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -37.91 113.97 0.32 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.188 -1.369 . . . . 4.42 111.914 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.674 ' OE1' HD11 ' A' ' 17' ' ' ILE . 15.3 mt-10 -9.35 72.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.529 -0.76 . . . . 3.05 110.814 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 11' ' ' SER . 81.0 p -18.93 -7.54 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.371 -1.344 . . . . 3.43 107.371 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -117.85 96.73 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 113.968 -1.469 . . . . 2.88 109.561 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 1.121 ' O ' HG13 ' A' ' 17' ' ' ILE . 2.1 m -93.39 -76.62 0.47 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.646 -0.422 . . . . 2.09 110.724 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 1.091 ' O ' ' OG ' ' A' ' 21' ' ' SER . 1.6 mm-40 -35.83 69.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 4.53 110.591 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.121 HG13 ' O ' ' A' ' 15' ' ' THR . 55.8 mt -86.0 -23.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.612 -0.435 . . . . 1.44 109.887 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' SER . 40.3 p -45.79 137.77 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.578 -0.527 . . . . 1.78 109.578 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.862 ' O ' ' OG ' ' A' ' 20' ' ' SER . . . 54.11 16.81 1.25 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.456 -0.572 . . . . 0.64 109.456 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.862 ' OG ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER 67.72 28.33 7.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.66 110.016 -179.471 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 1.091 ' OG ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -53.89 167.57 0.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.759 -0.655 . . . . 0.69 110.959 -179.528 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.48 ' O ' ' HA ' ' A' ' 62' ' ' ASN . 7.9 m-30 -133.54 145.51 50.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.52 110.167 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.517 ' CG2' ' HG2' ' A' ' 16' ' ' GLU . 41.8 t -124.26 101.69 9.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.102 -0.703 . . . . 0.32 109.102 177.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.7 t -112.92 139.67 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.013 -0.539 . . . . 0.29 111.104 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 p -128.69 152.52 48.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.25 109.789 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.576 ' CD2' HG11 ' A' ' 76' ' ' VAL . 39.8 p90 -144.82 -164.97 2.04 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.771 -0.372 . . . . 0.31 110.691 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.74 ' O ' ' N ' ' A' ' 29' ' ' ALA . 32.6 t -123.92 127.15 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.49 110.801 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 1.156 ' O ' ' N ' ' A' ' 30' ' ' SER . 4.0 p -57.88 58.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.53 110.347 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -38.07 24.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.91 -0.586 . . . . 0.97 111.494 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 1.156 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.6 OUTLIER 179.22 128.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.632 -0.427 . . . . 1.56 110.92 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -86.51 -9.56 55.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.556 . . . . 1.88 110.336 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.9 p -87.12 0.24 55.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 1.04 110.3 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 30' ' ' SER . 2.5 p -65.25 137.19 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.24 110.056 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 79' ' ' ILE . 75.0 m -96.29 -15.44 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.249 0.547 . . . . 0.29 110.013 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.57 175.58 45.77 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 109.857 -1.297 . . . . 0.13 109.857 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -123.44 151.54 42.57 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.653 -0.419 . . . . 0.17 110.491 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' NE ' ' OE1' ' A' ' 85' ' ' GLN . 18.4 ttp180 -132.33 121.21 23.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.17 -0.468 . . . . 1.29 109.987 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG21 HG11 ' A' ' 61' ' ' VAL . 46.4 t -105.15 136.6 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.752 -0.658 . . . . 0.25 110.624 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.668 ' HG3' ' CE1' ' A' ' 51' ' ' TYR . 44.1 tt0 -129.31 129.8 45.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 1.32 110.151 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.626 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 35.6 p90 -138.66 135.32 34.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.05 -0.523 . . . . 0.57 110.625 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -145.28 161.36 39.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 1.16 109.708 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.972 HD21 ' CZ ' ' A' ' 72' ' ' TYR . 86.2 mt -71.08 124.83 25.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.035 0.445 . . . . 0.38 110.758 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.494 ' OG ' ' HB3' ' A' ' 71' ' ' LYS . 19.4 p -71.73 -7.68 49.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.739 -0.664 . . . . 0.41 110.865 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -109.87 -69.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 1.66 111.403 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 1.512 ' CD ' HH21 ' A' ' 70' ' ' ARG . 54.3 mt-10 -60.67 -35.42 76.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 1.66 111.446 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.082 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . 79.2 7.26 88.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.803 -0.919 . . . . 1.17 110.803 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 1.308 ' OD1' ' CD ' ' A' ' 48' ' ' GLU . 37.5 t0 -27.99 -171.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 1.86 110.293 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 1.308 ' CD ' ' OD1' ' A' ' 47' ' ' ASP . 3.1 pm0 -82.29 139.1 45.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.428 . . . . 1.98 110.136 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.85 145.81 51.82 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 C-N-CA 122.756 2.304 . . . . 0.55 112.326 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.626 ' HB2' ' CZ ' ' A' ' 40' ' ' TYR . 10.9 mt-30 -115.87 145.67 42.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.236 -0.653 . . . . 1.14 109.236 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.668 ' CE1' ' HG3' ' A' ' 39' ' ' GLU . 48.0 m-85 -123.26 141.33 52.09 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.355 -0.538 . . . . 0.93 111.49 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.8 mt -128.08 127.69 43.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.36 -0.836 . . . . 0.34 108.972 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -101.71 131.16 48.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.204 0.526 . . . . 1.09 111.731 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -127.95 157.63 73.21 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.293 -0.867 . . . . 0.19 109.594 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -69.84 158.02 58.27 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.385 2.057 . . . . 0.18 112.239 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 13.2 p -59.24 -12.17 5.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.769 -0.65 . . . . 0.21 110.66 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.5 p -92.89 -8.68 42.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.29 110.663 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.22 135.41 34.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.5 110.353 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.0 p -133.17 16.79 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 0.3 110.581 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.1 p -167.57 147.15 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.629 -0.508 . . . . 0.23 109.629 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG11 HG21 ' A' ' 38' ' ' VAL . 6.0 p -152.2 150.5 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.469 -0.492 . . . . 0.28 111.517 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.505 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 3.9 t-20 -106.3 124.96 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.572 -0.74 . . . . 1.07 109.822 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mt -99.48 104.94 30.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 0.29 110.993 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 62' ' ' ASN . 86.8 Cg_endo -90.99 -179.52 1.5 Allowed 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 123.143 2.562 . . . . 0.43 112.26 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 61.68 32.67 18.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.417 -0.811 . . . . 1.26 111.484 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' O ' ' OG ' ' A' ' 20' ' ' SER . 24.0 mt -86.41 148.47 25.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.489 -0.323 . . . . 0.32 110.475 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.769 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 26.2 mt -88.23 114.85 61.24 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.989 0.423 . . . . 0.58 110.686 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -58.98 140.63 96.2 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.824 2.349 . . . . 0.66 111.994 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.02 21.25 74.39 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.08 -0.808 . . . . 0.29 111.08 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 1.512 HH21 ' CD ' ' A' ' 45' ' ' GLU . 9.7 mmm-85 -126.87 150.16 49.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 2.33 110.639 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 75.2 tttt -100.17 131.64 46.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.86 109.802 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.972 ' CZ ' HD21 ' A' ' 42' ' ' LEU . 74.8 m-85 -120.55 148.34 43.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.068 -0.514 . . . . 0.52 111.011 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.592 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 72.3 mt -105.33 125.37 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.242 -1.022 . . . . 0.3 108.242 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 t -114.52 132.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.093 0.473 . . . . 0.23 111.309 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -136.51 122.52 20.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.573 -0.739 . . . . 0.36 109.625 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.576 HG11 ' CD2' ' A' ' 26' ' ' TRP . 13.9 t -101.02 125.37 54.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.258 -0.428 . . . . 0.19 110.683 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -117.18 137.86 52.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.003 -0.544 . . . . 0.3 109.945 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.432 ' OE1' ' HB2' ' A' ' 30' ' ' SER . 6.8 pt20 -100.69 134.99 42.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.745 -0.835 . . . . 0.37 108.745 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.607 ' O ' ' N ' ' A' ' 34' ' ' SER . 50.8 mt -99.08 122.86 51.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.147 0.499 . . . . 0.26 110.974 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.985 ' OG ' ' OD1' ' A' ' 82' ' ' ASP . 87.6 p -83.74 169.65 15.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.486 -0.779 . . . . 0.28 110.52 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -59.75 -14.49 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.024 -0.535 . . . . 1.6 110.992 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.985 ' OD1' ' OG ' ' A' ' 80' ' ' SER . 57.3 p30 -96.12 -4.26 43.09 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.872 -0.331 . . . . 1.18 110.796 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.8 13.84 64.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.347 -0.701 . . . . 0.3 111.347 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -84.64 139.11 32.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.634 0.254 . . . . 1.22 110.492 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.436 ' OE1' ' NE ' ' A' ' 37' ' ' ARG . 31.0 mt-30 -106.75 141.0 38.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 0.98 110.537 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t -136.67 127.09 26.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.83 110.405 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 90' ' ' SER . 25.5 tp -68.22 117.31 9.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.339 -0.391 . . . . 0.26 110.492 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 44.1 pt -109.03 -21.85 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.3 110.703 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 tp -156.88 125.72 5.87 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.517 -0.473 . . . . 0.31 111.526 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.417 ' HB2' HD21 ' A' ' 87' ' ' LEU . 28.2 t -132.74 120.25 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.728 -0.669 . . . . 0.28 109.526 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 t -154.58 151.72 29.18 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.725 -0.39 . . . . 0.24 110.919 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.0 p -110.52 158.61 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 0.23 110.375 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -146.09 157.88 43.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.67 110.673 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.29 104.32 9.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.64 110.043 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.901 -1.047 . . . . 1.26 110.608 -179.672 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 108.148 -1.981 . . . . 13.08 108.148 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 1.306 ' O ' ' N ' ' A' ' 4' ' ' GLY . 73.5 Cg_endo -75.24 19.99 0.5 Allowed 'Trans proline' 0 C--N 1.298 -2.084 0 C-N-CA 121.574 1.516 . . . . 12.94 111.847 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.371 ' HB2' ' CD2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER 21.4 19.17 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 107.183 -1.414 . . . . 12.38 107.183 -178.537 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.306 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 65.72 18.6 66.32 Favored Glycine 0 C--N 1.339 0.748 0 N-CA-C 109.05 -1.62 . . . . 10.08 109.05 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 1.051 ' HB3' ' O ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER 116.28 -37.19 0.01 OUTLIER 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.474 -0.863 . . . . 9.17 109.611 -178.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 1.371 ' CD2' ' HB2' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 56.86 15.67 2.37 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.368 -0.975 . . . . 10.56 108.368 -178.285 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.243 ' O ' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER 29.8 -3.21 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 102.792 -3.04 . . . . 10.19 102.792 -176.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.669 ' O ' ' C ' ' A' ' 9' ' ' ALA . 2.2 p 12.3 -49.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-N 112.346 -2.206 . . . . 7.28 109.212 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 1.286 ' O ' ' CG2' ' A' ' 10' ' ' THR . . . -26.42 -80.38 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 108.833 -0.803 . . . . 7.3 108.833 177.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 1.286 ' CG2' ' O ' ' A' ' 9' ' ' ALA . 9.0 t 102.52 -108.06 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.952 0.882 . . . . 6.44 111.376 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 1.117 ' N ' HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -37.91 113.97 0.32 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.188 -1.369 . . . . 4.42 111.914 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.674 ' OE1' HD11 ' A' ' 17' ' ' ILE . 15.3 mt-10 -9.35 72.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.529 -0.76 . . . . 3.05 110.814 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 11' ' ' SER . 81.0 p -18.93 -7.54 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.371 -1.344 . . . . 3.43 107.371 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -117.85 96.73 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 113.968 -1.469 . . . . 2.88 109.561 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 1.121 ' O ' HG13 ' A' ' 17' ' ' ILE . 2.1 m -93.39 -76.62 0.47 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.646 -0.422 . . . . 2.09 110.724 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 1.091 ' O ' ' OG ' ' A' ' 21' ' ' SER . 1.6 mm-40 -35.83 69.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 4.53 110.591 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.121 HG13 ' O ' ' A' ' 15' ' ' THR . 55.8 mt -86.0 -23.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.612 -0.435 . . . . 1.44 109.887 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' SER . 40.3 p -45.79 137.77 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.578 -0.527 . . . . 1.78 109.578 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.862 ' O ' ' OG ' ' A' ' 20' ' ' SER . . . 54.11 16.81 1.25 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.456 -0.572 . . . . 0.64 109.456 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.862 ' OG ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER 67.72 28.33 7.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.66 110.016 -179.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 1.091 ' OG ' ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -53.89 167.57 0.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.759 -0.655 . . . . 0.69 110.959 -179.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.48 ' O ' ' HA ' ' A' ' 62' ' ' ASN . 7.9 m-30 -133.54 145.51 50.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.52 110.167 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.517 ' CG2' ' HG2' ' A' ' 16' ' ' GLU . 41.8 t -124.26 101.69 9.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.102 -0.703 . . . . 0.32 109.102 177.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.7 t -112.92 139.67 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.013 -0.539 . . . . 0.29 111.104 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 p -128.69 152.52 48.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.25 109.789 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.576 ' CD2' HG11 ' A' ' 76' ' ' VAL . 39.8 p90 -144.82 -164.97 2.04 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.771 -0.372 . . . . 0.31 110.691 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.74 ' O ' ' N ' ' A' ' 29' ' ' ALA . 32.6 t -123.92 127.15 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.49 110.801 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 1.156 ' O ' ' N ' ' A' ' 30' ' ' SER . 4.0 p -57.88 58.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.53 110.347 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . -38.07 24.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.91 -0.586 . . . . 0.97 111.494 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 1.156 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.6 OUTLIER 179.22 128.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.632 -0.427 . . . . 1.56 110.92 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -86.51 -9.56 55.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.556 . . . . 1.88 110.336 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.9 p -87.12 0.24 55.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 1.04 110.3 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 30' ' ' SER . 2.5 p -65.25 137.19 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.24 110.056 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 79' ' ' ILE . 75.0 m -96.29 -15.44 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.249 0.547 . . . . 0.29 110.013 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.57 175.58 45.77 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 109.857 -1.297 . . . . 0.13 109.857 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -123.44 151.54 42.57 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.653 -0.419 . . . . 0.17 110.491 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.923 ' NE ' HE22 ' A' ' 85' ' ' GLN . 18.4 ttp180 -132.33 121.21 23.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.17 -0.468 . . . . 1.29 109.987 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG21 HG11 ' A' ' 61' ' ' VAL . 46.4 t -105.15 136.6 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.752 -0.658 . . . . 0.25 110.624 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.668 ' HG3' ' CE1' ' A' ' 51' ' ' TYR . 44.1 tt0 -129.31 129.8 45.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.941 -0.572 . . . . 1.32 110.151 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.626 ' CZ ' ' HB2' ' A' ' 50' ' ' GLN . 35.6 p90 -138.66 135.32 34.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.05 -0.523 . . . . 0.57 110.625 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -145.28 161.36 39.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 1.16 109.708 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.972 HD21 ' CZ ' ' A' ' 72' ' ' TYR . 86.2 mt -71.08 124.83 25.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.035 0.445 . . . . 0.38 110.758 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.494 ' OG ' ' HB3' ' A' ' 71' ' ' LYS . 19.4 p -71.73 -7.68 49.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.739 -0.664 . . . . 0.41 110.865 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -109.87 -69.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 1.66 111.403 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 1.512 ' CD ' HH21 ' A' ' 70' ' ' ARG . 54.3 mt-10 -60.67 -35.42 76.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 1.66 111.446 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.082 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . 79.2 7.26 88.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.803 -0.919 . . . . 1.17 110.803 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 1.308 ' OD1' ' CD ' ' A' ' 48' ' ' GLU . 37.5 t0 -27.99 -171.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 1.86 110.293 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 1.308 ' CD ' ' OD1' ' A' ' 47' ' ' ASP . 3.1 pm0 -82.29 139.1 45.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.428 . . . . 1.98 110.136 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.85 145.81 51.82 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 C-N-CA 122.756 2.304 . . . . 0.55 112.326 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.626 ' HB2' ' CZ ' ' A' ' 40' ' ' TYR . 10.9 mt-30 -115.87 145.67 42.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.236 -0.653 . . . . 1.14 109.236 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.668 ' CE1' ' HG3' ' A' ' 39' ' ' GLU . 48.0 m-85 -123.26 141.33 52.09 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.355 -0.538 . . . . 0.93 111.49 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.8 mt -128.08 127.69 43.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.36 -0.836 . . . . 0.34 108.972 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -101.71 131.16 48.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.204 0.526 . . . . 1.09 111.731 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -127.95 157.63 73.21 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.293 -0.867 . . . . 0.19 109.594 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -69.84 158.02 58.27 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.385 2.057 . . . . 0.18 112.239 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 13.2 p -59.24 -12.17 5.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.769 -0.65 . . . . 0.21 110.66 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.5 p -92.89 -8.68 42.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.29 110.663 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.22 135.41 34.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.5 110.353 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.0 p -133.17 16.79 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 0.3 110.581 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.1 p -167.57 147.15 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.629 -0.508 . . . . 0.23 109.629 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG11 HG21 ' A' ' 38' ' ' VAL . 6.0 p -152.2 150.5 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.469 -0.492 . . . . 0.28 111.517 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.505 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 3.9 t-20 -106.3 124.96 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.572 -0.74 . . . . 1.07 109.822 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mt -99.48 104.94 30.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 0.29 110.993 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 62' ' ' ASN . 86.8 Cg_endo -90.99 -179.52 1.5 Allowed 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 123.143 2.562 . . . . 0.43 112.26 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 61.68 32.67 18.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.417 -0.811 . . . . 1.26 111.484 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' O ' ' OG ' ' A' ' 20' ' ' SER . 24.0 mt -86.41 148.47 25.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.489 -0.323 . . . . 0.32 110.475 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.769 ' HB2' ' OH ' ' A' ' 72' ' ' TYR . 26.2 mt -88.23 114.85 61.24 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.989 0.423 . . . . 0.58 110.686 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -58.98 140.63 96.2 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.824 2.349 . . . . 0.66 111.994 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.02 21.25 74.39 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.08 -0.808 . . . . 0.29 111.08 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 1.512 HH21 ' CD ' ' A' ' 45' ' ' GLU . 9.7 mmm-85 -126.87 150.16 49.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 2.33 110.639 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 75.2 tttt -100.17 131.64 46.0 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.86 109.802 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.972 ' CZ ' HD21 ' A' ' 42' ' ' LEU . 74.8 m-85 -120.55 148.34 43.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.068 -0.514 . . . . 0.52 111.011 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.592 ' O ' ' HA ' ' A' ' 40' ' ' TYR . 72.3 mt -105.33 125.37 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.242 -1.022 . . . . 0.3 108.242 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 t -114.52 132.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.093 0.473 . . . . 0.23 111.309 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -136.51 122.52 20.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.573 -0.739 . . . . 0.36 109.625 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.576 HG11 ' CD2' ' A' ' 26' ' ' TRP . 13.9 t -101.02 125.37 54.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.258 -0.428 . . . . 0.19 110.683 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -117.18 137.86 52.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.003 -0.544 . . . . 0.3 109.945 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.571 ' NE2' ' HB2' ' A' ' 30' ' ' SER . 0.5 OUTLIER -100.69 134.99 42.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.745 -0.835 . . . . 0.37 108.745 178.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.607 ' O ' ' N ' ' A' ' 34' ' ' SER . 50.8 mt -99.08 122.86 51.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.147 0.499 . . . . 0.26 110.974 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.985 ' OG ' ' OD1' ' A' ' 82' ' ' ASP . 87.6 p -83.74 169.65 15.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.486 -0.779 . . . . 0.28 110.52 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -59.75 -14.49 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.024 -0.535 . . . . 1.6 110.992 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.985 ' OD1' ' OG ' ' A' ' 80' ' ' SER . 57.3 p30 -96.12 -4.26 43.09 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.872 -0.331 . . . . 1.18 110.796 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.8 13.84 64.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.347 -0.701 . . . . 0.3 111.347 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -84.64 139.11 32.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.634 0.254 . . . . 1.22 110.492 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.923 HE22 ' NE ' ' A' ' 37' ' ' ARG . 81.5 mt-30 -106.75 141.0 38.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 0.98 110.537 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t -136.67 127.09 26.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.83 110.405 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 90' ' ' SER . 25.5 tp -68.22 117.31 9.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.339 -0.391 . . . . 0.26 110.492 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 44.1 pt -109.03 -21.85 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.3 110.703 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 tp -156.88 125.72 5.87 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.517 -0.473 . . . . 0.31 111.526 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.417 ' HB2' HD21 ' A' ' 87' ' ' LEU . 28.2 t -132.74 120.25 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.728 -0.669 . . . . 0.28 109.526 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 t -154.58 151.72 29.18 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.725 -0.39 . . . . 0.24 110.919 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 52.0 p -110.52 158.61 18.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 0.23 110.375 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -146.09 157.88 43.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.67 110.673 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.29 104.32 9.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.64 110.043 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.901 -1.047 . . . . 1.26 110.608 -179.672 . . . . . . . . 0 0 . 1 stop_ save_