data_1iuf_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 1iuf _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.92 -60.11 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.98 174.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -122.38 104.1 9.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.981 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.94 -163.56 11.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -94.76 -94.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.479 0.181 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.51 HG23 ' HD3' ' A' ' 40' ' ' LYS . 9.4 mm 46.15 -130.09 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 68.1 91.59 0.09 Allowed 'General case' 0 N--CA 1.457 -0.086 0 O-C-N 122.018 -0.426 . . . . 0.0 110.348 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -71.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.822 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.91 -77.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.178 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 4' ' ' ILE . . . 65.33 -91.93 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.372 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 mp 61.13 133.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.978 0.418 . . . . 0.0 111.213 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.4 p -151.2 -151.16 0.38 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 61' ' ' LEU . 3.6 tt0 -77.94 -50.03 12.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.813 0.34 . . . . 0.0 111.404 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -23.01 62.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.396 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -30.99 71.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.174 0.512 . . . . 0.0 110.075 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.596 ' HG3' ' HA ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -82.89 -56.42 3.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.291 179.448 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.532 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -45.93 -37.26 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.159 -179.541 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB3' ' CZ3' ' A' ' 36' ' ' TRP . . . -81.99 -31.19 31.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.634 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.531 ' CD1' ' CZ2' ' A' ' 36' ' ' TRP . 1.1 mp -69.09 -46.3 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 4.2 ptm180 -60.37 -46.11 91.13 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 6.6 m-70 -68.41 -17.47 64.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.018 0.437 . . . . 0.0 110.24 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.9 -70.64 0.2 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.037 0.446 . . . . 0.0 110.621 179.622 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.614 ' HA ' ' OG ' ' A' ' 28' ' ' SER . 45.3 t80 -71.41 -22.43 61.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.344 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -97.99 -23.69 15.69 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.353 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -115.27 79.21 1.25 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -141.63 -178.33 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.817 177.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.578 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.8 mm100 -73.9 61.31 0.78 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.13 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 1.9 t30 104.18 -71.88 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.389 0.676 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -134.53 110.72 9.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.614 ' OG ' ' HA ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -67.02 -96.6 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.192 -179.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.74 126.18 1.79 Allowed Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.387 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -35.32 6.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.739 0.304 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.49 -48.32 82.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.042 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.97 -40.51 14.52 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.006 0.431 . . . . 0.0 109.953 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.435 ' HA ' ' CE2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -55.48 -54.11 47.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.635 ' HA ' ' HB2' ' A' ' 37' ' ' PHE . 8.4 mt -58.08 -27.5 31.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.835 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -44.18 77.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.531 ' CZ2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -80.99 -15.28 56.63 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.557 0.694 . . . . 0.0 109.858 178.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.635 ' HB2' ' HA ' ' A' ' 34' ' ' ILE . 2.2 m-85 -76.05 -53.76 7.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.7 -1.137 . . . . 0.0 108.717 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.488 ' O ' ' CA ' ' A' ' 42' ' ' GLY . 1.9 mtt-85 -59.37 -39.04 82.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.841 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -78.16 -25.67 47.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.541 ' HG2' ' HA ' ' A' ' 37' ' ' PHE . 13.0 ptpt -79.99 -44.81 19.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.457 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -129.09 11.59 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 38' ' ' ARG . . . 104.68 -60.15 0.43 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.533 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 42' ' ' GLY . 9.1 ptpp? 164.22 120.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.695 0.398 . . . . 0.0 110.458 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.71 27.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.466 ' O ' HG12 ' A' ' 34' ' ' ILE . 22.3 mm -144.25 75.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.539 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 1.6 t -81.02 54.01 2.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.012 0.434 . . . . 0.0 110.007 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.78 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 0.0 OUTLIER 64.83 34.06 0.14 Allowed Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.261 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.78 ' HD3' ' N ' ' A' ' 47' ' ' GLN . 97.0 Cg_endo -96.86 -51.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.907 2.405 . . . . 0.0 112.991 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.4 m -100.04 -11.32 20.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.068 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 7.3 m -45.45 -31.96 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.524 -0.054 0 CA-C-O 121.097 0.475 . . . . 0.0 110.114 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 p -84.8 -38.15 19.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.835 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -62.23 -50.35 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.36 179.351 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.751 ' HA ' ' HB2' ' A' ' 57' ' ' LYS . 6.2 mt -68.47 -19.78 24.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.273 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -79.8 -33.92 40.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.187 179.061 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.79 -66.88 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.161 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -52.75 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.854 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.751 ' HB2' ' HA ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -55.21 -27.32 45.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.831 -179.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.617 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 10.0 t80 -74.81 -23.43 58.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 22.7 t -81.87 -37.98 26.1 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.115 0.483 . . . . 0.0 109.918 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.458 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -54.41 -48.61 71.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.09 179.102 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.524 ' CD1' ' HB3' ' A' ' 14' ' ' LYS . 1.3 mt -82.7 -5.63 58.97 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.846 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -87.83 -2.89 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.455 177.157 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -111.19 -32.75 6.66 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.708 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -145.26 179.72 7.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.998 0.428 . . . . 0.0 112.07 -178.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' N ' ' OG1' ' A' ' 64' ' ' THR . 10.5 m -88.54 -154.54 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.695 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.559 ' C ' ' HD3' ' A' ' 68' ' ' PRO . 7.5 mt-10 -85.13 10.05 13.25 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.75 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 4.2 pttt -115.32 31.83 0.14 Allowed Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.75 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 78.4 Cg_endo -93.07 -72.31 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.18 1.92 . . . . 0.0 113.512 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.652 ' CE3' ' HB2' ' A' ' 68' ' ' PRO . 10.1 p90 -99.76 -79.64 0.49 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.81 23.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.449 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.409 HG23 ' HD2' ' A' ' 68' ' ' PRO . 50.1 t -47.4 -25.19 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.402 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -65.22 0.7 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.489 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.68 178.07 4.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.88 0.371 . . . . 0.0 111.575 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.464 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 1.1 t-20 -161.99 -151.05 0.2 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 74' ' ' ASN . 10.1 ptt180 41.49 74.5 0.73 Allowed Pre-proline 0 N--CA 1.468 0.431 0 CA-C-O 120.888 0.375 . . . . 0.0 111.663 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -84.87 146.66 10.44 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.779 2.319 . . . . 0.0 112.853 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -61.14 -145.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.58 2.187 . . . . 0.0 111.539 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -122.26 -34.64 3.27 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.905 0.383 . . . . 0.0 110.388 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.522 ' CG ' ' HB2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -121.59 92.93 48.79 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.402 179.73 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.41 -44.99 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.928 2.419 . . . . 0.0 113.523 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mt -78.96 -34.35 44.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 111.607 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.522 ' HB2' ' CG ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -62.0 -45.0 95.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.553 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 130' ' ' TRP . 82.5 mt-10 -58.17 -49.14 78.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.292 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.67 74.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 88' ' ' GLU . . . -73.68 -38.33 64.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.632 ' HA ' ' HD1' ' A' ' 89' ' ' TRP . 4.0 mm? -72.46 -13.01 61.34 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.06 0.457 . . . . 0.0 110.763 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.703 ' HA ' ' CZ ' ' A' ' 134' ' ' PHE . 15.9 t80 -73.59 -68.07 0.54 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -36.1 -33.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.827 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.632 ' HD1' ' HA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -76.43 -43.14 41.51 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.915 179.456 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 87' ' ' PHE . 8.2 tp-100 -62.37 -51.53 67.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.515 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 38.9 t -47.63 -48.48 10.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.029 0.442 . . . . 0.0 110.261 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -67.2 -31.11 71.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.17 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.99 32.4 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.378 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.67 -88.73 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.203 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.25 -154.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.573 0.225 . . . . 0.0 111.025 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.46 13.51 8.21 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.535 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -43.02 168.03 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.632 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -164.35 -176.53 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.961 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.439 ' O ' ' HB ' ' A' ' 103' ' ' THR . 2.7 tm? 57.6 93.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.9 p -68.57 164.7 20.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.63 -126.64 8.71 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.697 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -37.43 -29.8 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 99' ' ' LEU . 8.2 t -48.99 -28.66 4.06 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.194 0.521 . . . . 0.0 109.954 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' A' ' 107' ' ' ALA . 3.3 mp -88.21 -60.43 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 177.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -36.0 -28.41 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.903 0.382 . . . . 0.0 111.541 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -83.93 -48.58 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.625 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -69.05 -42.72 75.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.4 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 111' ' ' LEU . . . -66.9 -54.09 25.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 113' ' ' HIS . . . -57.22 -26.07 60.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.354 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.421 HG21 ' O ' ' A' ' 107' ' ' ALA . 1.8 tp -99.07 -17.04 6.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.234 0.54 . . . . 0.0 110.451 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.648 ' O ' HG21 ' A' ' 115' ' ' ILE . 0.2 OUTLIER -74.07 -44.9 52.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.677 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.478 ' CZ2' ' OH ' ' A' ' 118' ' ' TYR . 0.1 OUTLIER -88.5 -15.9 34.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.52 ' HB2' ' O ' ' A' ' 109' ' ' ALA . 0.3 OUTLIER -84.83 -39.94 17.73 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.826 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.418 ' HD3' HG13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -84.73 -19.28 32.95 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.648 HG21 ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -148.65 98.13 3.67 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 121.072 0.463 . . . . 0.0 111.05 -179.488 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -96.4 19.78 0.51 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.309 2.673 . . . . 0.0 114.162 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -108.64 -22.84 12.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.81 0.338 . . . . 0.0 111.545 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.478 ' OH ' ' CZ2' ' A' ' 112' ' ' TRP . 0.1 OUTLIER -59.35 -43.22 92.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.438 -179.316 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 -38.99 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.049 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 79.49 49.47 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.07 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -146.38 85.15 7.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -62.18 90.57 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.563 2.175 . . . . 0.0 112.327 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.466 HG13 ' CE3' ' A' ' 112' ' ' TRP . 6.5 m -60.77 156.37 45.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -88.44 -73.89 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.066 2.511 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -161.44 43.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 110.622 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' N ' ' CD1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -57.86 158.48 6.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.883 -179.585 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.535 ' O ' ' CZ2' ' A' ' 130' ' ' TRP . 0.5 OUTLIER -74.86 -173.07 1.77 Allowed 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.033 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -119.43 -9.22 9.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.694 0.283 . . . . 0.0 111.432 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -52.49 -34.37 42.24 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.357 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.547 ' CZ3' ' HG ' ' A' ' 86' ' ' LEU . 1.8 p-90 -58.82 -38.8 79.45 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.437 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.666 ' HG ' ' CE2' ' A' ' 134' ' ' PHE . 0.4 OUTLIER -66.6 -59.3 3.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.236 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 136' ' ' LYS . 31.4 mt-10 -48.9 -37.13 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.909 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.96 -50.88 58.98 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.348 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.703 ' CZ ' ' HA ' ' A' ' 87' ' ' PHE . 1.1 p90 -76.49 -43.5 39.39 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.74 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.566 ' N ' ' CD1' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -55.65 -27.41 49.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.715 0.293 . . . . 0.0 110.899 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 8.6 mttt -94.44 -35.04 12.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.895 0.378 . . . . 0.0 110.308 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -92.61 17.36 10.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.67 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 134' ' ' PHE . 2.7 m-70 -160.18 -45.95 0.05 OUTLIER 'General case' 0 C--O 1.231 0.125 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.557 HG12 ' HA ' ' A' ' 135' ' ' ARG . 15.1 mm -90.67 9.91 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.703 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 55.36 -165.14 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.633 0.254 . . . . 0.0 110.991 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.92 -60.11 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.98 174.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -122.38 104.1 9.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.981 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.94 -163.56 11.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -94.76 -94.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.479 0.181 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.899 HD12 ' HD3' ' A' ' 40' ' ' LYS . 9.4 mm 46.15 -130.09 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' H ' HG22 ' A' ' 4' ' ' ILE . 11.9 mttt 68.1 91.59 0.09 Allowed 'General case' 0 N--CA 1.457 -0.086 0 O-C-N 122.018 -0.426 . . . . 0.0 110.348 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -71.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.822 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.91 -77.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.178 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 4' ' ' ILE . . . 65.33 -91.93 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.372 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.634 HG21 ' HD2' ' A' ' 57' ' ' LYS . 2.3 mp 61.13 133.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.978 0.418 . . . . 0.0 111.213 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.4 p -151.2 -151.16 0.38 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.572 ' HB2' HG11 ' A' ' 71' ' ' VAL . 3.6 tt0 -77.94 -50.03 12.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.813 0.34 . . . . 0.0 111.404 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -23.01 62.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.396 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -30.99 71.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.174 0.512 . . . . 0.0 110.075 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.623 ' HG3' ' HA ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -82.89 -56.42 3.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.291 179.448 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.553 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -45.93 -37.26 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.159 -179.541 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.553 ' HB3' ' CH2' ' A' ' 36' ' ' TRP . . . -81.99 -31.19 31.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.634 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.782 HD13 ' CZ2' ' A' ' 36' ' ' TRP . 1.1 mp -69.09 -46.3 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 4.2 ptm180 -60.37 -46.11 91.13 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.49 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 6.6 m-70 -68.41 -17.47 64.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.018 0.437 . . . . 0.0 110.24 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' CE2' ' HA ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.9 -70.64 0.2 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.037 0.446 . . . . 0.0 110.621 179.622 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.644 ' HA ' ' OG ' ' A' ' 28' ' ' SER . 45.3 t80 -71.41 -22.43 61.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.344 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -97.99 -23.69 15.69 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.353 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.459 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -115.27 79.21 1.25 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.511 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -141.63 -178.33 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.817 177.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.578 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.8 mm100 -73.9 61.31 0.78 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.13 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 22.6 t-20 104.18 -71.88 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.389 0.676 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -134.53 110.72 9.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.644 ' OG ' ' HA ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -67.02 -96.6 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.192 -179.421 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.74 126.18 1.79 Allowed Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.387 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -35.32 6.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.739 0.304 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.892 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-30 -60.49 -48.32 82.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.042 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.97 -40.51 14.52 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.006 0.431 . . . . 0.0 109.953 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.632 HD23 ' HE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -55.48 -54.11 47.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 31' ' ' GLN . 8.4 mt -58.08 -27.5 31.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.835 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -44.18 77.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.782 ' CZ2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -80.99 -15.28 56.63 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.557 0.694 . . . . 0.0 109.858 178.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.643 ' HB2' ' HA ' ' A' ' 34' ' ' ILE . 2.2 m-85 -76.05 -53.76 7.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.7 -1.137 . . . . 0.0 108.717 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.488 ' O ' ' CA ' ' A' ' 42' ' ' GLY . 1.9 mtt-85 -59.37 -39.04 82.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.841 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -78.16 -25.67 47.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.899 ' HD3' HD12 ' A' ' 4' ' ' ILE . 13.0 ptpt -79.99 -44.81 19.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -129.09 11.59 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 38' ' ' ARG . . . 104.68 -60.15 0.43 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.533 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 42' ' ' GLY . 9.1 ptpp? 164.22 120.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.695 0.398 . . . . 0.0 110.458 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.71 27.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 48' ' ' PRO . 22.3 mm -144.25 75.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.55 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 1.6 t -81.02 54.01 2.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.012 0.434 . . . . 0.0 110.007 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.808 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 0.0 OUTLIER 64.83 34.06 0.14 Allowed Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.261 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.808 ' HD3' ' N ' ' A' ' 47' ' ' GLN . 97.0 Cg_endo -96.86 -51.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.907 2.405 . . . . 0.0 112.991 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.4 m -100.04 -11.32 20.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.068 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.58 HG13 ' CG2' ' A' ' 45' ' ' ILE . 7.3 m -45.45 -31.96 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.524 -0.054 0 CA-C-O 121.097 0.475 . . . . 0.0 110.114 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 p -84.8 -38.15 19.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.835 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -62.23 -50.35 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.36 179.351 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.779 ' HA ' ' HB2' ' A' ' 57' ' ' LYS . 6.2 mt -68.47 -19.78 24.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.273 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -79.8 -33.92 40.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.187 179.061 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.79 -66.88 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.161 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -52.75 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.854 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.779 ' HB2' ' HA ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -55.21 -27.32 45.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.831 -179.143 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.623 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 10.0 t80 -74.81 -23.43 58.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 22.7 t -81.87 -37.98 26.1 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.115 0.483 . . . . 0.0 109.918 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.458 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -54.41 -48.61 71.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.09 179.102 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.543 ' CD1' ' HB3' ' A' ' 14' ' ' LYS . 1.3 mt -82.7 -5.63 58.97 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.846 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.623 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -87.83 -2.89 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.455 177.157 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -111.19 -32.75 6.66 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.708 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.66 HG21 ' HB3' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -145.26 179.72 7.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.998 0.428 . . . . 0.0 112.07 -178.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' N ' ' OG1' ' A' ' 64' ' ' THR . 10.5 m -88.54 -154.54 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.695 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.605 ' C ' ' HD3' ' A' ' 68' ' ' PRO . 7.5 mt-10 -85.13 10.05 13.25 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.784 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 4.2 pttt -115.32 31.83 0.14 Allowed Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.784 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 78.4 Cg_endo -93.07 -72.31 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.18 1.92 . . . . 0.0 113.512 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.67 ' CE3' ' HB2' ' A' ' 68' ' ' PRO . 10.1 p90 -99.76 -79.64 0.49 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.81 23.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.449 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 11' ' ' GLU . 50.1 t -47.4 -25.19 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.402 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -65.22 0.7 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.489 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.68 178.07 4.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.88 0.371 . . . . 0.0 111.575 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 1.1 t-20 -161.99 -151.05 0.2 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 74' ' ' ASN . 10.1 ptt180 41.49 74.5 0.73 Allowed Pre-proline 0 N--CA 1.468 0.431 0 CA-C-O 120.888 0.375 . . . . 0.0 111.663 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 93.0 Cg_endo -84.87 146.66 10.44 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.779 2.319 . . . . 0.0 112.853 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 76' ' ' PRO . 30.0 Cg_exo -61.14 -145.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.58 2.187 . . . . 0.0 111.539 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -122.26 -34.64 3.27 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.905 0.383 . . . . 0.0 110.388 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CG ' ' HB2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -121.59 92.93 48.79 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.402 179.73 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.41 -44.99 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.928 2.419 . . . . 0.0 113.523 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mt -78.96 -34.35 44.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 111.607 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.777 HD13 ' CD2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -62.0 -45.0 95.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.553 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 130' ' ' TRP . 82.5 mt-10 -58.17 -49.14 78.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.292 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.67 74.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 88' ' ' GLU . . . -73.68 -38.33 64.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.777 ' CD2' HD13 ' A' ' 82' ' ' LEU . 4.0 mm? -72.46 -13.01 61.34 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.06 0.457 . . . . 0.0 110.763 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.715 ' HA ' ' CZ ' ' A' ' 134' ' ' PHE . 15.9 t80 -73.59 -68.07 0.54 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -36.1 -33.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.827 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.675 ' HD1' ' HA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -76.43 -43.14 41.51 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.915 179.456 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 87' ' ' PHE . 56.1 tp60 -62.37 -51.53 67.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.685 HG21 ' CE1' ' A' ' 87' ' ' PHE . 38.9 t -47.63 -48.48 10.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.029 0.442 . . . . 0.0 110.261 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -67.2 -31.11 71.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.17 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.99 32.4 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.378 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.67 -88.73 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.203 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.25 -154.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.573 0.225 . . . . 0.0 111.025 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.46 13.51 8.21 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.535 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 98' ' ' THR . . . -43.02 168.03 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.632 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 97' ' ' ALA . 0.7 OUTLIER -164.35 -176.53 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.961 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 103' ' ' THR . 2.7 tm? 57.6 93.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.9 p -68.57 164.7 20.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.63 -126.64 8.71 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.697 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -37.43 -29.8 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 99' ' ' LEU . 8.2 t -48.99 -28.66 4.06 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.194 0.521 . . . . 0.0 109.954 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.939 HG12 HD13 ' A' ' 131' ' ' LEU . 3.3 mp -88.21 -60.43 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 177.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -36.0 -28.41 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.903 0.382 . . . . 0.0 111.541 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -83.93 -48.58 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.625 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -69.05 -42.72 75.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.4 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.552 ' HB1' ' HZ ' ' A' ' 126' ' ' PHE . . . -66.9 -54.09 25.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 113' ' ' HIS . . . -57.22 -26.07 60.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.354 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.559 HG22 ' O ' ' A' ' 106' ' ' ARG . 1.8 tp -99.07 -17.04 6.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.234 0.54 . . . . 0.0 110.451 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.589 HD21 ' CE2' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -74.07 -44.9 52.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.677 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -88.5 -15.9 34.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 109' ' ' ALA . 0.3 OUTLIER -84.83 -39.94 17.73 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.826 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -84.73 -19.28 32.95 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.085 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.809 HD13 ' H ' ' A' ' 117' ' ' GLU . 0.1 OUTLIER -148.65 98.13 3.67 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 121.072 0.463 . . . . 0.0 111.05 -179.488 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.402 ' O ' ' HA ' ' A' ' 120' ' ' ASP . 62.8 Cg_endo -96.4 19.78 0.51 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.309 2.673 . . . . 0.0 114.162 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.809 ' H ' HD13 ' A' ' 115' ' ' ILE . 2.0 mm-40 -108.64 -22.84 12.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.81 0.338 . . . . 0.0 111.545 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.678 ' HB3' HD12 ' A' ' 115' ' ' ILE . 0.1 OUTLIER -59.35 -43.22 92.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.438 -179.316 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 -38.99 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.049 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 116' ' ' PRO . 0.5 OUTLIER 79.49 49.47 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.07 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -146.38 85.15 7.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -62.18 90.57 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.563 2.175 . . . . 0.0 112.327 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.55 HG11 ' CE2' ' A' ' 126' ' ' PHE . 6.5 m -60.77 156.37 45.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -88.44 -73.89 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.066 2.511 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -161.44 43.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 110.622 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.552 ' HZ ' ' HB1' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -57.86 158.48 6.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.883 -179.585 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.535 ' O ' ' CZ2' ' A' ' 130' ' ' TRP . 0.5 OUTLIER -74.86 -173.07 1.77 Allowed 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.033 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.412 ' HB3' HD13 ' A' ' 104' ' ' ILE . 3.0 m120 -119.43 -9.22 9.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.694 0.283 . . . . 0.0 111.432 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -52.49 -34.37 42.24 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.357 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.7 ' HZ3' HD12 ' A' ' 131' ' ' LEU . 1.8 p-90 -58.82 -38.8 79.45 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.437 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.939 HD13 HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -66.6 -59.3 3.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.236 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 136' ' ' LYS . 31.4 mt-10 -48.9 -37.13 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.909 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.96 -50.88 58.98 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.348 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.715 ' CZ ' ' HA ' ' A' ' 87' ' ' PHE . 1.1 p90 -76.49 -43.5 39.39 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.74 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.596 ' HA ' HG12 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -55.65 -27.41 49.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.715 0.293 . . . . 0.0 110.899 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 8.6 mttt -94.44 -35.04 12.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.895 0.378 . . . . 0.0 110.308 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -92.61 17.36 10.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.67 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 134' ' ' PHE . 1.4 m80 -160.18 -45.95 0.05 OUTLIER 'General case' 0 C--O 1.231 0.125 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.705 HD11 ' HE2' ' A' ' 87' ' ' PHE . 15.1 mm -90.67 9.91 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.703 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 55.36 -165.14 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.633 0.254 . . . . 0.0 110.991 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.92 -60.11 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.98 174.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -122.38 104.1 9.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.981 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.94 -163.56 11.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -94.76 -94.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.479 0.181 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.899 HD12 ' HD3' ' A' ' 40' ' ' LYS . 9.4 mm 46.15 -130.09 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' H ' HG22 ' A' ' 4' ' ' ILE . 11.9 mttt 68.1 91.59 0.09 Allowed 'General case' 0 N--CA 1.457 -0.086 0 O-C-N 122.018 -0.426 . . . . 0.0 110.348 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -71.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.822 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.91 -77.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.178 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 4' ' ' ILE . . . 65.33 -91.93 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.372 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.634 HG21 ' HD2' ' A' ' 57' ' ' LYS . 2.3 mp 61.13 133.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.978 0.418 . . . . 0.0 111.213 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.4 p -151.2 -151.16 0.38 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.572 ' HB2' HG11 ' A' ' 71' ' ' VAL . 3.6 tt0 -77.94 -50.03 12.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.813 0.34 . . . . 0.0 111.404 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -23.01 62.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.396 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -30.99 71.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.174 0.512 . . . . 0.0 110.075 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.623 ' HG3' ' HA ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -82.89 -56.42 3.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.291 179.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.553 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -45.93 -37.26 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.159 -179.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.553 ' HB3' ' CH2' ' A' ' 36' ' ' TRP . . . -81.99 -31.19 31.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.634 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.782 HD13 ' CZ2' ' A' ' 36' ' ' TRP . 1.1 mp -69.09 -46.3 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 4.2 ptm180 -60.37 -46.11 91.13 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.49 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 6.6 m-70 -68.41 -17.47 64.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.018 0.437 . . . . 0.0 110.24 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' CE2' ' HA ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -62.9 -70.64 0.2 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.037 0.446 . . . . 0.0 110.621 179.622 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.644 ' HA ' ' OG ' ' A' ' 28' ' ' SER . 45.3 t80 -71.41 -22.43 61.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.344 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -97.99 -23.69 15.69 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.353 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.459 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -115.27 79.21 1.25 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.511 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -141.63 -178.33 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.817 177.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.578 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 1.8 mm100 -73.9 61.31 0.78 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.13 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 25' ' ' GLN . 1.9 t30 104.18 -71.88 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.389 0.676 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -134.53 110.72 9.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.644 ' OG ' ' HA ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -67.02 -96.6 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.192 -179.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.74 126.18 1.79 Allowed Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.387 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -35.32 6.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.739 0.304 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.892 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.1 mt-30 -60.49 -48.32 82.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.042 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.97 -40.51 14.52 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.006 0.431 . . . . 0.0 109.953 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.632 HD23 ' HE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -55.48 -54.11 47.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 31' ' ' GLN . 8.4 mt -58.08 -27.5 31.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.835 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -44.18 77.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.782 ' CZ2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -80.99 -15.28 56.63 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.557 0.694 . . . . 0.0 109.858 178.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.643 ' HB2' ' HA ' ' A' ' 34' ' ' ILE . 2.2 m-85 -76.05 -53.76 7.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.7 -1.137 . . . . 0.0 108.717 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.488 ' O ' ' CA ' ' A' ' 42' ' ' GLY . 1.9 mtt-85 -59.37 -39.04 82.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.841 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -78.16 -25.67 47.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.899 ' HD3' HD12 ' A' ' 4' ' ' ILE . 13.0 ptpt -79.99 -44.81 19.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -129.09 11.59 6.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 38' ' ' ARG . . . 104.68 -60.15 0.43 Allowed Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.533 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 42' ' ' GLY . 9.1 ptpp? 164.22 120.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.695 0.398 . . . . 0.0 110.458 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.71 27.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 48' ' ' PRO . 22.3 mm -144.25 75.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.55 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 1.6 t -81.02 54.01 2.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.012 0.434 . . . . 0.0 110.007 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.808 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 0.0 OUTLIER 64.83 34.06 0.14 Allowed Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.261 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.808 ' HD3' ' N ' ' A' ' 47' ' ' GLN . 97.0 Cg_endo -96.86 -51.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.907 2.405 . . . . 0.0 112.991 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.4 m -100.04 -11.32 20.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.068 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.58 HG13 ' CG2' ' A' ' 45' ' ' ILE . 7.3 m -45.45 -31.96 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.524 -0.054 0 CA-C-O 121.097 0.475 . . . . 0.0 110.114 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 p -84.8 -38.15 19.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.835 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -62.23 -50.35 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.36 179.351 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.779 ' HA ' ' HB2' ' A' ' 57' ' ' LYS . 6.2 mt -68.47 -19.78 24.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.273 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -79.8 -33.92 40.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.187 179.061 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.79 -66.88 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.161 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -52.75 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.854 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.779 ' HB2' ' HA ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -55.21 -27.32 45.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.831 -179.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.623 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 10.0 t80 -74.81 -23.43 58.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 22.7 t -81.87 -37.98 26.1 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.115 0.483 . . . . 0.0 109.918 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.458 ' CD2' ' CH2' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -54.41 -48.61 71.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.09 179.102 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.543 ' CD1' ' HB3' ' A' ' 14' ' ' LYS . 1.3 mt -82.7 -5.63 58.97 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.846 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.623 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -87.83 -2.89 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.455 177.157 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -111.19 -32.75 6.66 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.708 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.66 HG21 ' HB3' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -145.26 179.72 7.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.998 0.428 . . . . 0.0 112.07 -178.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' N ' ' OG1' ' A' ' 64' ' ' THR . 10.5 m -88.54 -154.54 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.695 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.605 ' C ' ' HD3' ' A' ' 68' ' ' PRO . 7.5 mt-10 -85.13 10.05 13.25 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.784 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 4.2 pttt -115.32 31.83 0.14 Allowed Pre-proline 0 CA--C 1.536 0.436 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.784 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 78.4 Cg_endo -93.07 -72.31 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.18 1.92 . . . . 0.0 113.512 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.67 ' CE3' ' HB2' ' A' ' 68' ' ' PRO . 10.1 p90 -99.76 -79.64 0.49 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.81 23.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.449 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 11' ' ' GLU . 50.1 t -47.4 -25.19 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.402 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -65.22 0.7 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.489 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.68 178.07 4.59 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.88 0.371 . . . . 0.0 111.575 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 1.1 t-20 -161.99 -151.05 0.2 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 74' ' ' ASN . 10.1 ptt180 41.49 74.5 0.73 Allowed Pre-proline 0 N--CA 1.468 0.431 0 CA-C-O 120.888 0.375 . . . . 0.0 111.663 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 93.0 Cg_endo -84.87 146.66 10.44 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.779 2.319 . . . . 0.0 112.853 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 76' ' ' PRO . 30.0 Cg_exo -61.14 -145.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.58 2.187 . . . . 0.0 111.539 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -122.26 -34.64 3.27 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.905 0.383 . . . . 0.0 110.388 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CG ' ' HB2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -121.59 92.93 48.79 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.402 179.73 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.41 -44.99 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.928 2.419 . . . . 0.0 113.523 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mt -78.96 -34.35 44.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 111.607 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.777 HD13 ' CD2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -62.0 -45.0 95.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.553 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 130' ' ' TRP . 82.5 mt-10 -58.17 -49.14 78.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.292 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.67 74.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 88' ' ' GLU . . . -73.68 -38.33 64.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.777 ' CD2' HD13 ' A' ' 82' ' ' LEU . 4.0 mm? -72.46 -13.01 61.34 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.06 0.457 . . . . 0.0 110.763 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.715 ' HA ' ' CZ ' ' A' ' 134' ' ' PHE . 15.9 t80 -73.59 -68.07 0.54 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 85' ' ' ALA . 2.6 pt-20 -36.1 -33.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.827 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.675 ' HD1' ' HA ' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -76.43 -43.14 41.51 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.915 179.456 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 87' ' ' PHE . 8.2 tp-100 -62.37 -51.53 67.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.685 HG21 ' CE1' ' A' ' 87' ' ' PHE . 38.9 t -47.63 -48.48 10.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.029 0.442 . . . . 0.0 110.261 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -67.2 -31.11 71.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.17 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.99 32.4 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.378 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.67 -88.73 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.203 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.25 -154.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.573 0.225 . . . . 0.0 111.025 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.46 13.51 8.21 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.535 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 98' ' ' THR . . . -43.02 168.03 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.632 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 97' ' ' ALA . 0.7 OUTLIER -164.35 -176.53 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.961 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 103' ' ' THR . 2.7 tm? 57.6 93.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.9 p -68.57 164.7 20.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.63 -126.64 8.71 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.697 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -37.43 -29.8 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 99' ' ' LEU . 8.2 t -48.99 -28.66 4.06 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.194 0.521 . . . . 0.0 109.954 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.939 HG12 HD13 ' A' ' 131' ' ' LEU . 3.3 mp -88.21 -60.43 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 177.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -36.0 -28.41 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.903 0.382 . . . . 0.0 111.541 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -83.93 -48.58 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -69.05 -42.72 75.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.4 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.552 ' HB1' ' HZ ' ' A' ' 126' ' ' PHE . . . -66.9 -54.09 25.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.816 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 113' ' ' HIS . . . -57.22 -26.07 60.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.354 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.559 HG22 ' O ' ' A' ' 106' ' ' ARG . 1.8 tp -99.07 -17.04 6.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.234 0.54 . . . . 0.0 110.451 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.589 HD21 ' CE2' ' A' ' 118' ' ' TYR . 0.2 OUTLIER -74.07 -44.9 52.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.677 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -88.5 -15.9 34.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 109' ' ' ALA . 0.3 OUTLIER -84.83 -39.94 17.73 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.826 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -84.73 -19.28 32.95 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.809 HD13 ' H ' ' A' ' 117' ' ' GLU . 0.1 OUTLIER -148.65 98.13 3.67 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 121.072 0.463 . . . . 0.0 111.05 -179.488 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.402 ' O ' ' HA ' ' A' ' 120' ' ' ASP . 62.8 Cg_endo -96.4 19.78 0.51 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.309 2.673 . . . . 0.0 114.162 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.809 ' H ' HD13 ' A' ' 115' ' ' ILE . 2.0 mm-40 -108.64 -22.84 12.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.81 0.338 . . . . 0.0 111.545 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.678 ' HB3' HD12 ' A' ' 115' ' ' ILE . 0.1 OUTLIER -59.35 -43.22 92.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.438 -179.316 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 -38.99 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.049 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 116' ' ' PRO . 0.5 OUTLIER 79.49 49.47 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.07 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -146.38 85.15 7.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -62.18 90.57 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.563 2.175 . . . . 0.0 112.327 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.55 HG11 ' CE2' ' A' ' 126' ' ' PHE . 6.5 m -60.77 156.37 45.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -88.44 -73.89 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.066 2.511 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -161.44 43.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 110.622 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.552 ' HZ ' ' HB1' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -57.86 158.48 6.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.883 -179.585 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.535 ' O ' ' CZ2' ' A' ' 130' ' ' TRP . 0.5 OUTLIER -74.86 -173.07 1.77 Allowed 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.033 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.412 ' HB3' HD13 ' A' ' 104' ' ' ILE . 3.0 m120 -119.43 -9.22 9.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.694 0.283 . . . . 0.0 111.432 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -52.49 -34.37 42.24 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.357 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.7 ' HZ3' HD12 ' A' ' 131' ' ' LEU . 1.8 p-90 -58.82 -38.8 79.45 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.437 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.939 HD13 HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -66.6 -59.3 3.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 136' ' ' LYS . 31.4 mt-10 -48.9 -37.13 18.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.909 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.96 -50.88 58.98 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.348 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.715 ' CZ ' ' HA ' ' A' ' 87' ' ' PHE . 1.1 p90 -76.49 -43.5 39.39 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.74 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.596 ' HA ' HG12 ' A' ' 139' ' ' ILE . 0.0 OUTLIER -55.65 -27.41 49.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.715 0.293 . . . . 0.0 110.899 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 8.6 mttt -94.44 -35.04 12.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.895 0.378 . . . . 0.0 110.308 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -92.61 17.36 10.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.67 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 134' ' ' PHE . 2.7 m-70 -160.18 -45.95 0.05 OUTLIER 'General case' 0 C--O 1.231 0.125 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.705 HD11 ' HE2' ' A' ' 87' ' ' PHE . 15.1 mm -90.67 9.91 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.703 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 55.36 -165.14 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.633 0.254 . . . . 0.0 110.991 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 stop_ save_