data_2ab9_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 2ab9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.718 0.771 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.83 47.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.4 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -169.85 -158.62 0.18 Allowed 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -99.46 127.32 34.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 87.3 Cg_endo -89.24 138.58 14.23 Favored 'Cis proline' 0 C--N 1.345 0.38 0 C-N-CA 123.832 -1.32 . . . . 0.0 112.195 -0.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 9.6 Cg_exo -74.19 96.99 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.521 2.147 . . . . 0.0 111.897 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 tt -151.35 148.38 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.6 m . . . . . 0 C--N 1.317 -0.84 0 CA-C-O 121.728 0.775 . . . . 0.0 110.387 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.278 0.561 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -106.35 42.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -161.18 173.37 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 HD12 ' HD3' ' A' ' 23' ' ' PRO . 47.2 mm -81.51 127.15 74.23 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 123.296 0.372 . . . . 0.0 110.61 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 83.5 Cg_endo -90.22 137.24 11.41 Favored 'Cis proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.304 -0.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.468 ' HD3' HD12 ' A' ' 21' ' ' ILE . 9.3 Cg_exo -74.97 111.13 3.25 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.648 2.232 . . . . 0.0 111.957 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.5 tp -150.76 143.19 16.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.344 0.592 . . . . 0.0 109.925 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.278 -178.818 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 121.265 0.555 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -103.31 40.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.781 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 m -159.93 174.99 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 22' ' ' PRO . 6.0 tp -84.55 126.64 68.42 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.647 0.261 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.486 ' HA ' HD13 ' A' ' 21' ' ' ILE . 25.6 Cg_endo -91.78 138.64 9.54 Favored 'Cis proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.23 -0.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.1 Cg_exo -74.96 103.95 1.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.677 2.252 . . . . 0.0 111.582 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 mt -136.88 140.42 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.605 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.462 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 60.3 p . . . . . 0 N--CA 1.443 -0.785 0 CA-C-O 121.771 0.796 . . . . 0.0 112.685 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 41.42 1.27 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.542 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m -163.62 169.27 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.449 HG12 ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -83.75 129.75 58.25 Favored Pre-proline 0 C--N 1.319 -0.729 0 O-C-N 123.384 0.428 . . . . 0.0 110.391 179.668 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HA ' HG12 ' A' ' 21' ' ' ILE . 98.1 Cg_endo -87.21 136.33 16.9 Favored 'Cis proline' 0 C--O 1.237 0.457 0 C-N-CA 123.962 -1.266 . . . . 0.0 112.476 -0.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.462 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.9 Cg_exo -74.5 111.34 3.29 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.82 2.346 . . . . 0.0 112.123 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.7 tp -151.08 143.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.348 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 122.063 0.935 . . . . 0.0 111.382 -178.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 121.203 0.525 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -111.34 51.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.376 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -163.63 -157.79 0.43 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.825 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 5.7 tp -103.42 121.44 48.53 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 96.7 Cg_endo -92.52 144.65 11.3 Favored 'Cis proline' 0 N--CA 1.46 -0.476 0 C-N-CA 124.073 -1.22 . . . . 0.0 112.546 -0.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -76.77 90.92 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.181 2.587 . . . . 0.0 112.159 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 tp -151.54 141.42 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.217 0.532 . . . . 0.0 110.322 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.315 -0.909 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.501 -179.407 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.467 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 23.5 p . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 121.294 0.568 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.14 43.81 1.65 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.788 0.804 . . . . 0.0 109.211 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -159.37 174.5 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -86.64 127.41 60.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 121.338 -0.145 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 10.2 Cg_endo -89.76 137.79 12.61 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.524 -1.032 . . . . 0.0 112.546 -0.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.467 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 5.5 Cg_exo -80.8 117.46 3.3 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.047 2.498 . . . . 0.0 112.467 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.9 tp -151.76 137.64 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.433 0.635 . . . . 0.0 110.507 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.607 -178.65 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.834 0.35 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -110.87 43.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 m -163.33 171.38 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -78.08 126.25 83.95 Favored Pre-proline 0 C--N 1.321 -0.674 0 O-C-N 123.381 0.426 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 21' ' ' ILE . 88.1 Cg_endo -91.78 137.8 9.26 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.396 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 15.7 Cg_exo -71.82 113.8 3.77 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 0.0 111.496 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 pt -144.32 137.83 23.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.808 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.319 -0.738 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 -179.231 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.166 0.507 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -93.55 57.4 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -154.98 179.68 8.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tt -108.78 129.69 23.65 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.645 0.259 . . . . 0.0 111.013 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 94.4 Cg_endo -83.87 140.64 36.5 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.155 -0.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 11.9 Cg_exo -71.67 120.86 7.19 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.409 2.072 . . . . 0.0 112.075 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 tt -150.63 142.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.18 -179.312 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -111.05 37.73 2.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -165.91 -179.09 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.834 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 22' ' ' PRO . 6.3 tp -78.49 126.55 82.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 123.155 0.285 . . . . 0.0 110.792 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 10.9 Cg_endo -91.99 134.88 8.02 Favored 'Cis proline' 0 N--CA 1.459 -0.548 0 C-N-CA 124.631 -0.987 . . . . 0.0 111.833 -0.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -78.39 105.71 2.02 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.704 2.269 . . . . 0.0 112.063 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.8 tt -151.15 140.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.09 0.472 . . . . 0.0 110.431 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.965 -179.348 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 16.2 p . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.0 111.483 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -109.27 41.03 1.72 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m -161.71 175.83 11.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 50.5 mm -81.54 126.14 76.79 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 123.107 0.254 . . . . 0.0 110.553 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 64.6 Cg_endo -93.1 138.65 7.9 Favored 'Cis proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.954 -1.269 . . . . 0.0 112.631 -0.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.439 ' HD3' HD11 ' A' ' 21' ' ' ILE . 2.9 Cg_exo -76.98 115.76 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.647 2.231 . . . . 0.0 111.298 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.52 143.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.077 0.465 . . . . 0.0 111.248 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.9 m . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.703 -179.433 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.215 0.531 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -110.03 40.43 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.551 0.691 . . . . 0.0 109.508 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 m -160.51 171.9 18.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.413 HD13 ' HD3' ' A' ' 23' ' ' PRO . 50.5 mm -75.33 125.09 89.31 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 123.01 0.194 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 31.1 Cg_endo -93.77 137.76 7.05 Favored 'Cis proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.22 -1.159 . . . . 0.0 112.316 -0.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.413 ' HD3' HD13 ' A' ' 21' ' ' ILE . 7.8 Cg_exo -74.35 105.05 1.97 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.623 2.216 . . . . 0.0 111.679 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -145.8 144.26 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.643 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 m . . . . . 0 C--N 1.322 -0.622 0 CA-C-O 121.709 0.766 . . . . 0.0 109.74 179.321 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.438 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 22.3 p . . . . . 0 N--CA 1.446 -0.626 0 CA-C-O 121.598 0.713 . . . . 0.0 111.598 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.41 43.33 1.19 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.525 178.831 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -161.59 164.51 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.773 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -78.28 127.53 80.84 Favored Pre-proline 0 C--N 1.321 -0.663 0 O-C-N 123.199 0.312 . . . . 0.0 110.31 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 19.3 Cg_endo -91.31 138.25 9.99 Favored 'Cis proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.518 -1.034 . . . . 0.0 112.243 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 Cg_exo -73.99 114.15 3.96 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.85 2.366 . . . . 0.0 112.374 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 tp -151.4 136.98 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.513 . . . . 0.0 109.794 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.276 -178.439 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -93.58 59.11 2.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.568 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -156.2 -156.58 0.64 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.518 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -131.58 125.28 20.5 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.176 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 4.2 Cg_exo -80.15 140.19 52.28 Favored 'Cis proline' 0 C--N 1.344 0.329 0 C-N-CA 123.976 -1.26 . . . . 0.0 112.334 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 6.2 Cg_exo -78.0 113.64 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.592 2.195 . . . . 0.0 111.617 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 tt -151.01 145.07 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.155 0.502 . . . . 0.0 110.66 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.904 -179.399 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.819 0.343 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 43.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -162.38 167.02 24.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.1 tt -79.38 129.64 71.36 Favored Pre-proline 0 C--N 1.319 -0.753 0 O-C-N 123.305 0.378 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 2.8 Cg_endo -87.1 135.02 15.95 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.355 -1.102 . . . . 0.0 112.025 0.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 5.9 Cg_exo -77.62 113.92 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.624 2.216 . . . . 0.0 111.915 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.2 tt -151.68 139.56 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.248 0.547 . . . . 0.0 110.518 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.315 -0.908 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.919 -179.467 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.477 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 21.3 p . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 121.561 0.696 . . . . 0.0 111.716 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.829 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -100.29 37.69 1.63 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.688 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 m -161.42 165.0 29.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.06 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -75.64 127.58 85.53 Favored Pre-proline 0 C--N 1.319 -0.732 0 O-C-N 123.556 0.535 . . . . 0.0 110.607 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 7.4 Cg_endo -89.46 135.7 11.78 Favored 'Cis proline' 0 CA--C 1.532 0.384 0 C-N-CA 124.62 -0.991 . . . . 0.0 111.981 -0.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.477 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 4.0 Cg_exo -78.09 112.46 3.25 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.763 2.309 . . . . 0.0 112.455 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.1 pt -150.25 139.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.369 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.446 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 121.236 0.541 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.96 38.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.534 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -159.84 172.32 17.87 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -81.7 126.75 74.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.282 0.364 . . . . 0.0 110.948 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 92.4 Cg_endo -89.26 136.6 12.72 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 124.07 -1.221 . . . . 0.0 112.4 -0.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.7 Cg_exo -78.98 106.71 2.12 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.849 2.366 . . . . 0.0 112.099 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.21 146.18 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.002 179.48 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 121.408 0.623 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.554 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -98.45 37.16 1.5 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.2 179.458 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -161.21 174.91 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.453 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.455 HG12 ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -85.0 129.77 54.89 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 123.17 0.294 . . . . 0.0 110.694 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.455 ' HA ' HG12 ' A' ' 21' ' ' ILE . 71.9 Cg_endo -87.82 135.87 15.18 Favored 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.744 -1.357 . . . . 0.0 112.079 -0.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 10.3 Cg_exo -75.59 106.53 2.29 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.685 2.257 . . . . 0.0 112.164 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 tp -151.09 146.84 15.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.389 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.32 -0.678 0 CA-C-O 122.089 0.947 . . . . 0.0 110.13 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 121.154 0.502 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -106.51 40.63 1.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.745 0.783 . . . . 0.0 108.964 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -160.09 178.6 9.52 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 12.9 tt -86.19 129.07 55.13 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 120.688 0.28 . . . . 0.0 111.378 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 83.2 Cg_endo -89.39 137.14 12.87 Favored 'Cis proline' 0 C--N 1.346 0.435 0 C-N-CA 123.797 -1.334 . . . . 0.0 112.205 -0.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.4 Cg_exo -75.85 97.99 1.15 Allowed 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.72 2.28 . . . . 0.0 111.95 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.7 mt -142.1 140.99 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.939 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.987 178.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.587 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 63.7 p . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.74 0.305 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 8.6 mptt -114.23 39.71 2.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.032 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 m -165.43 172.58 12.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.495 HD11 ' HD3' ' A' ' 23' ' ' PRO . 47.5 mm -79.17 128.19 76.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 O-C-N 123.411 0.445 . . . . 0.0 110.199 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 7.8 Cg_endo -90.14 136.01 10.89 Favored 'Cis proline' 0 N--CA 1.461 -0.412 0 C-N-CA 124.439 -1.067 . . . . 0.0 112.041 -0.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.587 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.9 Cg_exo -75.36 112.69 3.59 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.732 2.288 . . . . 0.0 111.971 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.99 140.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 0.0 110.302 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.315 -179.018 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 121.077 0.465 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -107.62 40.46 1.7 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.694 0.759 . . . . 0.0 109.552 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 m -159.84 175.31 13.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.789 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 48.2 mm -83.69 127.31 68.28 Favored Pre-proline 0 C--N 1.321 -0.636 0 O-C-N 123.254 0.346 . . . . 0.0 110.316 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 16.1 Cg_endo -90.97 137.07 9.96 Favored 'Cis proline' 0 N--CA 1.46 -0.488 0 C-N-CA 124.159 -1.184 . . . . 0.0 112.255 -0.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -76.96 110.01 2.95 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.643 2.229 . . . . 0.0 111.857 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tp -150.97 137.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.391 0.615 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.7 m . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.004 -179.182 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -71.46 121.49 18.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.373 -0.413 . . . . 0.0 110.17 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -80.88 128.68 33.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -68.5 -38.54 81.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.541 0.686 . . . . 0.0 109.774 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -75.78 132.73 40.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.235 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.14 144.58 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.111 0.481 . . . . 0.0 110.766 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.2 m -148.04 83.16 1.51 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.014 0.435 . . . . 0.0 110.095 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 m -72.17 70.83 0.83 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.41 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.38 -31.79 55.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.586 0.708 . . . . 0.0 110.164 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -151.48 -46.42 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.335 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 pt -127.63 151.1 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.434 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.11 120.78 31.58 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.602 ' HA ' ' NH1' ' A' ' 16' ' ' ARG . 35.0 t70 -169.36 145.85 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.529 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -175.43 129.74 0.27 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.21 -120.71 16.42 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.281 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.602 ' NH1' ' HA ' ' A' ' 13' ' ' ASP . 96.3 mtt180 57.6 -148.81 0.48 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.882 0.373 . . . . 0.0 111.375 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 9.3 m -119.09 133.87 55.54 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.821 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.2 p -64.19 145.78 55.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.718 0.771 . . . . 0.0 112.902 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.83 47.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.4 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -169.85 -158.62 0.18 Allowed 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -99.46 127.32 34.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' HD3' ' HG2' ' A' ' 30' ' ' ARG . 87.3 Cg_endo -89.24 138.58 14.23 Favored 'Cis proline' 0 C--N 1.345 0.38 0 C-N-CA 123.832 -1.32 . . . . 0.0 112.195 -0.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 9.6 Cg_exo -74.19 96.99 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.521 2.147 . . . . 0.0 111.897 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 tt -151.35 148.38 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 62.6 m -79.1 62.76 3.58 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.728 0.775 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.589 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 47.9 t80 -148.98 138.38 12.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.226 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.589 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 38.8 Cg_endo -66.81 68.54 0.53 Allowed 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.934 2.422 . . . . 0.0 113.468 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -156.57 135.62 11.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.118 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 22' ' ' PRO . . . -157.39 147.53 15.82 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.86 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.506 ' HG2' ' HD3' ' A' ' 22' ' ' PRO . 43.8 mmt-85 -89.05 128.89 50.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 14.6 Cg_exo . . . . . 0 C--O 1.233 0.227 0 C-N-CA 122.452 2.102 . . . . 0.0 112.042 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.5 128.1 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.675 0.274 . . . . 0.0 110.324 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -69.58 93.37 0.69 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -66.03 -32.11 73.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.806 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -73.35 61.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.519 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.2 118.0 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 m -109.43 46.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.052 0.453 . . . . 0.0 110.516 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.476 HG23 HG13 ' A' ' 9' ' ' ILE . 16.2 m -156.56 123.6 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.265 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.476 HG13 HG23 ' A' ' 8' ' ' THR . 77.2 mt 72.27 -45.72 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 123.691 0.619 . . . . 0.0 111.924 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 p -62.58 -41.47 98.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.528 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.8 pt -106.35 146.96 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -75.72 144.24 41.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.578 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.487 ' OD1' ' HD3' ' A' ' 16' ' ' ARG . 37.9 t70 -158.63 132.14 7.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.149 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -82.71 39.62 0.63 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' A' ' 17' ' ' CYS . . . 66.6 49.25 57.11 Favored Glycine 0 C--O 1.241 0.534 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.459 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HD3' ' OD1' ' A' ' 13' ' ' ASP . 18.1 mtp-105 -80.56 34.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.235 0.541 . . . . 0.0 111.307 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 7.3 m -71.45 141.42 50.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.027 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p -53.29 142.46 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.278 0.561 . . . . 0.0 112.011 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -106.35 42.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -161.18 173.37 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 HD12 ' HD3' ' A' ' 23' ' ' PRO . 47.2 mm -81.51 127.15 74.23 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 123.296 0.372 . . . . 0.0 110.61 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 83.5 Cg_endo -90.22 137.24 11.41 Favored 'Cis proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.304 -0.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.468 ' HD3' HD12 ' A' ' 21' ' ' ILE . 9.3 Cg_exo -74.97 111.13 3.25 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.648 2.232 . . . . 0.0 111.957 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.5 tp -150.76 143.19 16.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.344 0.592 . . . . 0.0 109.925 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 39.6 m -79.23 60.61 3.11 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.278 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -156.56 124.66 2.85 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.175 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.91 124.02 11.37 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.478 2.119 . . . . 0.0 111.856 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -160.39 156.03 25.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.546 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.82 66.95 1.38 Allowed Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 114.064 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.68 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 14.2 mmt180 -115.79 -54.56 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.496 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.68 ' HD3' ' HB2' ' A' ' 30' ' ' ARG . 17.7 Cg_exo . . . . . 0 C--N 1.354 0.818 0 C-N-CA 121.853 1.702 . . . . 0.0 111.994 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -73.06 125.6 28.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.661 0.267 . . . . 0.0 110.341 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -81.2 50.33 1.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.234 0.54 . . . . 0.0 110.783 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.3 m -69.17 -28.48 66.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.594 0.711 . . . . 0.0 109.852 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 m -156.67 -46.45 0.07 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.29 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.1 pt -75.25 128.16 36.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.486 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -92.83 50.46 1.57 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 m -76.93 58.72 1.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.425 0.631 . . . . 0.0 111.087 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.496 HG13 ' H ' ' A' ' 10' ' ' THR . 2.7 pt -69.62 -53.21 25.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.496 ' H ' HG13 ' A' ' 9' ' ' ILE . 20.9 m 73.65 -50.5 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.6 pt -120.3 151.69 23.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.425 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.44 138.86 39.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.606 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -160.7 122.94 3.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.015 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -165.1 139.19 4.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.012 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.05 -63.82 2.8 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' HD2' ' CG ' ' A' ' 28' ' ' ASP . 29.6 ttm180 63.31 119.28 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.846 0.858 . . . . 0.0 112.372 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.668 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 6.1 m -84.87 131.44 34.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.584 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 28' ' ' ASP . 6.9 p -71.53 146.02 48.76 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.744 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -103.31 40.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.781 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 m -159.93 174.99 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 22' ' ' PRO . 6.0 tp -84.55 126.64 68.42 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.647 0.261 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.486 ' HA ' HD13 ' A' ' 21' ' ' ILE . 25.6 Cg_endo -91.78 138.64 9.54 Favored 'Cis proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.23 -0.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.1 Cg_exo -74.96 103.95 1.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.677 2.252 . . . . 0.0 111.582 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 mt -136.88 140.42 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.668 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 21.6 m -88.03 64.75 7.93 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.605 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.722 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 22.0 t80 -167.47 -57.5 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.823 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 18.0 Cg_endo -91.71 69.32 0.98 Allowed 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.379 2.053 . . . . 0.0 112.487 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.582 ' HA ' HG22 ' A' ' 18' ' ' THR . 25.9 t70 -63.61 170.39 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.172 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.24 40.35 29.18 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.142 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.561 ' HB2' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER -89.23 130.01 45.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo . . . . . 0 C--O 1.234 0.28 0 C-N-CA 122.5 2.134 . . . . 0.0 111.999 -179.877 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -77.15 58.85 1.64 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.103 0.478 . . . . 0.0 111.365 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -77.33 64.05 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.561 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.7 m -59.56 -40.41 87.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.412 0.625 . . . . 0.0 110.553 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -79.67 101.02 8.14 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.886 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.41 117.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.59 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 p -166.88 119.68 0.98 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -89.63 119.68 30.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.57 -46.53 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.817 0.817 . . . . 0.0 110.286 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.0 m -156.92 -47.99 0.07 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.481 HD12 ' N ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -141.67 144.97 25.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 176.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -95.93 145.89 25.03 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.79 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.81 143.16 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.289 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -65.67 131.99 47.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.466 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.32 110.59 2.58 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.291 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -70.38 124.39 24.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.6 m -67.05 131.93 46.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.476 0.655 . . . . 0.0 110.024 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.462 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 60.3 p -79.25 143.17 35.55 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.685 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 41.42 1.27 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.542 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m -163.62 169.27 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.449 HG12 ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -83.75 129.75 58.25 Favored Pre-proline 0 C--N 1.319 -0.729 0 O-C-N 123.384 0.428 . . . . 0.0 110.391 179.668 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HA ' HG12 ' A' ' 21' ' ' ILE . 98.1 Cg_endo -87.21 136.33 16.9 Favored 'Cis proline' 0 C--O 1.237 0.457 0 C-N-CA 123.962 -1.266 . . . . 0.0 112.476 -0.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.462 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.9 Cg_exo -74.5 111.34 3.29 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.82 2.346 . . . . 0.0 112.123 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.7 tp -151.08 143.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.348 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 62.7 m -77.74 78.43 4.24 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.063 0.935 . . . . 0.0 111.382 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -169.15 127.34 0.87 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 113.579 -1.646 . . . . 0.0 107.19 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -34.57 123.72 0.18 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 124.232 3.288 . . . . 0.0 113.349 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 14.6 p-10 -74.45 65.17 1.22 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.54 0.23 82.79 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.013 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.717 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 15.0 mtm-85 -96.26 -54.71 0.21 Allowed Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.42 -0.39 . . . . 0.0 111.162 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.717 ' HD3' ' HB2' ' A' ' 30' ' ' ARG . 20.8 Cg_exo . . . . . 0 C--N 1.359 1.086 0 C-N-CA 122.096 1.864 . . . . 0.0 112.317 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.571 0 N-CA-C 112.087 -0.405 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -80.21 63.89 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.685 0.278 . . . . 0.0 110.706 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.9 mttm 59.82 38.88 21.18 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.431 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 m -69.24 -30.59 68.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -163.0 138.54 6.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.64 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.6 tt -80.92 133.93 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 m 55.74 40.44 30.8 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.176 0.513 . . . . 0.0 111.664 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -90.06 43.28 1.14 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.834 0.825 . . . . 0.0 110.429 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.41 HD11 HG23 ' A' ' 9' ' ' ILE . 50.0 mm 70.19 -53.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.262 -1.335 . . . . 0.0 112.336 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 p -76.38 -47.09 24.54 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.3 pt -122.91 151.63 27.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.246 0.546 . . . . 0.0 112.127 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -156.25 151.58 26.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.351 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.455 ' HB3' ' H ' ' A' ' 14' ' ' ASN . 42.7 m-20 -78.22 -133.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.179 0.514 . . . . 0.0 111.955 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.455 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 p30 -115.12 168.27 10.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.414 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.04 31.14 21.1 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.011 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -79.21 133.09 36.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 35.5 m -66.71 130.29 42.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.195 0.522 . . . . 0.0 110.958 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.728 HG21 ' HB3' ' A' ' 30' ' ' ARG . 18.9 p -85.07 147.2 26.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.364 -0.834 . . . . 0.0 112.311 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -111.34 51.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.376 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -163.63 -157.79 0.43 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.825 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 5.7 tp -103.42 121.44 48.53 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 96.7 Cg_endo -92.52 144.65 11.3 Favored 'Cis proline' 0 N--CA 1.46 -0.476 0 C-N-CA 124.073 -1.22 . . . . 0.0 112.546 -0.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -76.77 90.92 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.181 2.587 . . . . 0.0 112.159 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.542 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 3.5 tp -151.54 141.42 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.217 0.532 . . . . 0.0 110.322 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 3.3 m -80.75 76.93 7.64 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.501 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.501 ' H ' ' HD2' ' A' ' 27' ' ' PRO . 28.1 t80 -165.75 -52.88 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.542 ' HD2' ' O ' ' A' ' 24' ' ' ILE . 71.8 Cg_endo -74.66 73.17 4.2 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.988 1.792 . . . . 0.0 112.532 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -57.64 135.06 56.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.908 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.28 26.89 62.8 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.626 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.728 ' HB3' HG21 ' A' ' 18' ' ' THR . 27.8 tpt180 -76.88 118.66 73.3 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.411 0.148 . . . . 0.0 110.637 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 9.7 Cg_exo . . . . . 0 C--O 1.235 0.366 0 C-N-CA 122.655 2.237 . . . . 0.0 111.901 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.215 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -63.83 136.37 57.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.735 0.302 . . . . 0.0 110.342 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -140.0 135.19 32.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -64.09 -41.05 97.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.171 0.51 . . . . 0.0 110.692 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 m -79.89 51.39 1.32 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.937 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' H ' HG23 ' A' ' 6' ' ' ILE . 9.0 tt -80.16 118.04 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.831 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . 46.7 m -80.84 44.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.404 HG21 HG12 ' A' ' 6' ' ' ILE . 14.4 t -172.42 54.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.6 1.19 . . . . 0.0 110.167 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.2 mt -72.0 -44.39 66.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.238 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.4 p -128.27 -40.15 1.66 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.829 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.7 pt -133.67 150.92 32.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.219 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -69.73 129.34 39.34 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 123.485 0.491 . . . . 0.0 110.558 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.831 ' HB3' ' HB3' ' A' ' 7' ' ' SER . 12.4 t70 -82.88 144.49 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.188 0.518 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -84.77 43.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.407 0.622 . . . . 0.0 110.436 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.494 ' C ' ' H ' ' A' ' 17' ' ' CYS . . . -64.15 162.48 35.92 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.892 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -73.4 38.03 0.09 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.379 0.609 . . . . 0.0 111.265 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.494 ' H ' ' C ' ' A' ' 15' ' ' GLY . 40.5 m -101.16 137.0 40.1 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.467 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 23.5 p -69.77 143.46 52.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.294 0.568 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.14 43.81 1.65 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.788 0.804 . . . . 0.0 109.211 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -159.37 174.5 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -86.64 127.41 60.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 121.338 -0.145 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.716 ' HD2' ' HD2' ' A' ' 31' ' ' PRO . 10.2 Cg_endo -89.76 137.79 12.61 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.524 -1.032 . . . . 0.0 112.546 -0.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.467 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 5.5 Cg_exo -80.8 117.46 3.3 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.047 2.498 . . . . 0.0 112.467 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.523 HG22 ' HD2' ' A' ' 27' ' ' PRO . 2.9 tp -151.76 137.64 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.433 0.635 . . . . 0.0 110.507 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 93.8 m -84.1 70.2 10.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.607 -178.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.92 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.0 t80 -165.59 -63.7 0.01 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.29 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.92 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 5.4 Cg_endo -86.57 139.39 5.75 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.423 2.082 . . . . 0.0 112.174 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.65 146.8 30.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.925 0.393 . . . . 0.0 110.016 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 30' ' ' ARG . . . 79.43 -73.43 2.38 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -178.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.513 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 37.2 ptt180 172.58 146.93 0.19 Allowed Pre-proline 0 C--N 1.329 -0.309 0 C-N-CA 123.336 0.655 . . . . 0.0 109.599 178.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.716 ' HD2' ' HD2' ' A' ' 22' ' ' PRO . 72.9 Cg_endo . . . . . 0 N--CA 1.458 -0.582 0 C-N-CA 121.999 1.799 . . . . 0.0 112.148 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -159.57 142.23 13.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.319 -0.441 . . . . 0.0 110.467 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.847 ' HB3' ' HZ2' ' A' ' 3' ' ' LYS . 2.3 mmmp? 60.29 25.93 15.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.677 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 m -65.7 -42.31 91.32 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.203 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -72.9 139.86 47.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.032 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.64 HG21 HG22 ' A' ' 8' ' ' THR . 51.5 mt -59.54 124.09 13.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.933 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 m -81.6 71.68 8.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.885 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.64 HG22 HG21 ' A' ' 6' ' ' ILE . 14.7 t -150.19 148.77 29.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.929 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.582 HG13 ' H ' ' A' ' 10' ' ' THR . 3.2 pt -148.26 -59.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.818 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.582 ' H ' HG13 ' A' ' 9' ' ' ILE . 4.1 m -61.87 -45.89 91.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.992 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.3 pt -95.72 143.74 11.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.063 0.458 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.84 128.93 46.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.116 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -78.57 84.24 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -168.02 151.68 6.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.316 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.9 37.75 0.91 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 114.178 0.431 . . . . 0.0 114.178 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HD2' ' HB3' ' A' ' 28' ' ' ASP . 86.5 mtm180 64.45 41.27 5.76 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 75.9 m -71.73 134.01 45.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.601 HG23 ' HB3' ' A' ' 30' ' ' ARG . 67.9 p -81.88 146.24 29.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.834 0.35 . . . . 0.0 110.809 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -110.87 43.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 m -163.33 171.38 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -78.08 126.25 83.95 Favored Pre-proline 0 C--N 1.321 -0.674 0 O-C-N 123.381 0.426 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 21' ' ' ILE . 88.1 Cg_endo -91.78 137.8 9.26 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.396 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 15.7 Cg_exo -71.82 113.8 3.77 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 0.0 111.496 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.83 HD12 ' HG2' ' A' ' 27' ' ' PRO . 3.1 pt -144.32 137.83 23.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.808 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 4.0 t -109.85 73.52 0.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.81 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 29.4 t80 -165.58 -60.68 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.631 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.83 ' HG2' HD12 ' A' ' 24' ' ' ILE . 1.2 Cg_endo -86.24 115.48 1.39 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.353 2.035 . . . . 0.0 111.829 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.571 ' HB3' ' HD2' ' A' ' 16' ' ' ARG . 3.3 p30 -83.35 75.79 9.95 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.451 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.78 41.68 0.55 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.601 ' HB3' HG23 ' A' ' 18' ' ' THR . 21.4 tpt180 -160.73 129.21 2.97 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo . . . . . 0 C--N 1.346 0.41 0 C-N-CA 122.725 2.284 . . . . 0.0 112.704 -179.169 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.21 -0.356 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 9' ' ' ILE . 2.1 p90 -154.85 42.79 0.47 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.938 0.875 . . . . 0.0 110.437 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.499 ' HZ1' ' CG ' ' A' ' 13' ' ' ASP . 14.7 ptpt -84.79 59.69 5.71 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.854 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.4 m -59.64 -38.62 81.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -171.62 115.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.164 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 7' ' ' SER . 81.2 mt 71.37 139.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 123.85 0.719 . . . . 0.0 111.413 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.433 ' N ' HG21 ' A' ' 6' ' ' ILE . 35.4 t 67.1 121.95 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 122.023 0.916 . . . . 0.0 112.639 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.523 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 2.8 t -99.19 81.11 2.52 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.284 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 8' ' ' THR . 41.7 mm 82.54 -47.88 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.089 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -150.1 -62.79 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.039 0.447 . . . . 0.0 110.74 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.451 ' O ' HG21 ' A' ' 8' ' ' THR . 30.4 pt -72.94 158.59 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.247 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.68 146.04 50.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.499 ' CG ' ' HZ1' ' A' ' 3' ' ' LYS . 14.0 t0 -82.13 -129.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.648 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.56 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 16.0 p-10 -75.09 59.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.144 0.497 . . . . 0.0 111.612 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 16' ' ' ARG . . . -71.33 55.05 1.16 Allowed Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.869 -0.605 . . . . 0.0 114.054 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 1.8 mpp_? 72.78 141.39 0.06 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.842 0.857 . . . . 0.0 112.099 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 35.2 m -80.16 133.14 36.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.282 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p -71.7 148.6 46.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.48 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -93.55 57.4 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -154.98 179.68 8.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tt -108.78 129.69 23.65 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.645 0.259 . . . . 0.0 111.013 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 94.4 Cg_endo -83.87 140.64 36.5 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.155 -0.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 11.9 Cg_exo -71.67 120.86 7.19 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.409 2.072 . . . . 0.0 112.075 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 tt -150.63 142.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 17.6 m -76.54 71.63 3.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.18 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.457 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 36.2 t80 -153.8 124.3 3.44 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.901 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 26' ' ' PHE . 6.1 Cg_exo -74.7 67.4 5.65 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.058 2.505 . . . . 0.0 112.496 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.5 p-10 -91.5 -142.43 0.18 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.647 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.63 41.16 0.26 Allowed Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 61.1 ttt-85 -74.6 128.24 85.95 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.514 -0.343 . . . . 0.0 110.846 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 17.6 Cg_exo . . . . . 0 C--O 1.236 0.392 0 C-N-CA 122.517 2.145 . . . . 0.0 112.214 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -72.52 130.93 41.79 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -76.06 148.7 37.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.455 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 m -62.26 -37.85 87.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.484 0.659 . . . . 0.0 109.872 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -74.86 125.59 29.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.459 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.4 HG21 HD11 ' A' ' 6' ' ' ILE . 11.6 tt -59.08 124.76 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.158 0.504 . . . . 0.0 111.439 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.1 m -106.93 -172.41 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.568 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 p 48.24 54.74 9.81 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.449 0.642 . . . . 0.0 111.471 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.467 HD12 HG21 ' A' ' 9' ' ' ILE . 12.4 pt -105.67 -121.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.818 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 p -68.23 -29.95 68.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.13 0.49 . . . . 0.0 110.897 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.0 pt -125.51 148.13 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.445 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -168.67 144.38 3.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.929 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.599 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 13.4 t0 -62.99 128.29 35.16 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.349 0.406 . . . . 0.0 110.217 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -71.38 -33.91 69.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.048 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.16 113.93 0.49 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.599 ' NH1' ' HB3' ' A' ' 13' ' ' ASP . 12.0 mpt_? -58.02 129.67 43.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.013 0.435 . . . . 0.0 111.311 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 7.9 m -83.51 128.82 34.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.06 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.588 HG23 ' HB2' ' A' ' 30' ' ' ARG . 5.3 p -67.93 149.35 49.89 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.019 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -111.05 37.73 2.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -165.91 -179.09 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.834 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 22' ' ' PRO . 6.3 tp -78.49 126.55 82.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 123.155 0.285 . . . . 0.0 110.792 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.476 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 10.9 Cg_endo -91.99 134.88 8.02 Favored 'Cis proline' 0 N--CA 1.459 -0.548 0 C-N-CA 124.631 -0.987 . . . . 0.0 111.833 -0.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -78.39 105.71 2.02 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.704 2.269 . . . . 0.0 112.063 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.8 tt -151.15 140.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.09 0.472 . . . . 0.0 110.431 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 60.4 m -82.06 90.36 6.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.965 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.791 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 27.1 t80 -174.11 -58.09 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.24 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 1.6 Cg_endo -82.88 130.59 5.81 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.273 1.982 . . . . 0.0 111.635 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -80.77 155.34 26.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.378 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.4 -127.46 23.61 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.349 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.588 ' HB2' HG23 ' A' ' 18' ' ' THR . 85.0 mtt-85 58.25 61.87 5.15 Favored Pre-proline 0 N--CA 1.467 0.397 0 C-N-CA 123.171 0.588 . . . . 0.0 111.751 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 30' ' ' ARG . 3.2 Cg_exo . . . . . 0 C--N 1.346 0.443 0 C-N-CA 122.786 2.324 . . . . 0.0 111.904 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.508 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -67.63 143.53 55.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.907 0.384 . . . . 0.0 111.026 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -163.45 135.2 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.186 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -62.52 -35.5 79.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 59.78 47.39 10.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.971 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.3 pt -60.96 133.7 26.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.233 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 p -161.64 139.8 9.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.048 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -77.64 60.75 2.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.177 0.513 . . . . 0.0 111.683 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.3 mt -69.5 -39.78 78.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.995 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.6 m 72.45 -55.0 0.68 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.951 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.0 pt -83.25 149.04 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -88.88 125.78 35.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.972 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -89.01 159.15 17.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -79.25 48.26 0.86 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.393 0.616 . . . . 0.0 110.242 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.27 -157.61 33.0 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.866 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -169.91 135.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 14.2 m -61.88 131.18 48.93 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.402 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 16.2 p -78.97 148.26 32.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.483 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -109.27 41.03 1.72 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m -161.71 175.83 11.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 50.5 mm -81.54 126.14 76.79 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 123.107 0.254 . . . . 0.0 110.553 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.527 ' HD3' ' HD2' ' A' ' 30' ' ' ARG . 64.6 Cg_endo -93.1 138.65 7.9 Favored 'Cis proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.954 -1.269 . . . . 0.0 112.631 -0.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.439 ' HD3' HD11 ' A' ' 21' ' ' ILE . 2.9 Cg_exo -76.98 115.76 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.647 2.231 . . . . 0.0 111.298 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.515 HD11 ' HD2' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -147.52 143.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.077 0.465 . . . . 0.0 111.248 -179.486 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 80.9 m -98.72 54.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.703 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.928 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 33.4 t80 -159.4 -64.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.531 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.928 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 5.7 Cg_exo -74.41 128.82 12.29 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.761 1.641 . . . . 0.0 111.137 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -80.74 134.28 35.8 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.35 -125.3 29.0 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.205 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.527 ' HD2' ' HD3' ' A' ' 22' ' ' PRO . 71.3 ttt180 -165.87 127.83 1.43 Allowed Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 12.4 Cg_exo . . . . . 0 C--O 1.235 0.373 0 C-N-CA 122.598 2.198 . . . . 0.0 111.948 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -61.67 119.15 8.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.265 -0.467 . . . . 0.0 110.482 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.6 tttp 55.35 66.46 1.22 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.211 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -59.43 -31.38 69.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.653 0.739 . . . . 0.0 110.096 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 p -168.08 -82.05 0.02 OUTLIER 'General case' 0 C--O 1.24 0.56 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.054 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.429 HD12 HG22 ' A' ' 6' ' ' ILE . 11.4 tt -96.9 136.48 27.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.444 178.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.0 m -156.69 125.51 5.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -79.71 62.92 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.29 0.567 . . . . 0.0 110.575 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.88 -35.65 74.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.569 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 t -166.49 -39.69 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.124 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 pt -86.31 147.11 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.603 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -86.93 147.15 25.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.386 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -71.71 156.29 39.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.141 0.496 . . . . 0.0 110.838 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -86.0 -33.01 21.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.807 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.86 44.79 2.83 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.859 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -66.54 126.67 29.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.696 0.284 . . . . 0.0 110.548 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.701 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 7.2 m -72.01 131.38 42.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.159 0.504 . . . . 0.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -69.98 146.58 50.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.753 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -110.03 40.43 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.551 0.691 . . . . 0.0 109.508 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 m -160.51 171.9 18.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.413 HD13 ' HD3' ' A' ' 23' ' ' PRO . 50.5 mm -75.33 125.09 89.31 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 123.01 0.194 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 31.1 Cg_endo -93.77 137.76 7.05 Favored 'Cis proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.22 -1.159 . . . . 0.0 112.316 -0.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.413 ' HD3' HD13 ' A' ' 21' ' ' ILE . 7.8 Cg_exo -74.35 105.05 1.97 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.623 2.216 . . . . 0.0 111.679 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -145.8 144.26 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.643 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.701 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 45.5 m -85.18 64.13 8.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.709 0.766 . . . . 0.0 109.74 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.515 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 64.5 t80 -125.54 136.73 28.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.484 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 69.0 Cg_exo -51.84 149.38 20.08 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.023 2.482 . . . . 0.0 112.589 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -41.55 108.81 0.1 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.093 0.871 . . . . 0.0 111.82 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.28 129.83 1.22 Allowed Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.754 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.475 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 75.5 ttt180 -171.01 130.08 0.77 Allowed Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 12.8 Cg_exo . . . . . 0 C--O 1.236 0.421 0 C-N-CA 122.686 2.257 . . . . 0.0 111.863 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -70.99 126.12 28.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.349 -0.425 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -81.57 64.35 6.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.185 0.516 . . . . 0.0 110.76 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -58.54 -40.06 81.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.797 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m 60.82 -140.15 0.55 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.498 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 tt -169.06 139.69 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 m -92.39 124.83 36.73 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -72.09 145.96 47.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.044 0.449 . . . . 0.0 110.782 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.0 mm -71.82 -37.95 63.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.318 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.6 t -174.46 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.41 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.6 pt -65.27 152.84 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.052 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -69.37 134.62 49.25 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -158.84 134.41 8.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -170.42 149.51 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.192 0.52 . . . . 0.0 111.159 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.3 58.16 0.45 Allowed Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 27.5 mtt85 -74.54 112.34 10.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.556 0.217 . . . . 0.0 110.64 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.701 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 61.5 m -77.32 131.08 37.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.167 0.508 . . . . 0.0 110.791 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.664 HG23 ' HA ' ' A' ' 28' ' ' ASP . 22.3 p -83.33 142.5 31.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.598 0.713 . . . . 0.0 111.598 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.41 43.33 1.19 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.525 178.831 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -161.59 164.51 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.773 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -78.28 127.53 80.84 Favored Pre-proline 0 C--N 1.321 -0.663 0 O-C-N 123.199 0.312 . . . . 0.0 110.31 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 19.3 Cg_endo -91.31 138.25 9.99 Favored 'Cis proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.518 -1.034 . . . . 0.0 112.243 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 Cg_exo -73.99 114.15 3.96 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.85 2.366 . . . . 0.0 112.374 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.427 HG22 ' HD2' ' A' ' 27' ' ' PRO . 2.7 tp -151.4 136.98 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.513 . . . . 0.0 109.794 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.701 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 59.4 m -86.98 81.69 8.02 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.276 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.894 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 36.5 t80 -175.82 -62.94 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.607 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.765 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.894 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 39.1 Cg_endo -96.43 75.72 0.11 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.052 2.501 . . . . 0.0 112.743 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.664 ' HA ' HG23 ' A' ' 18' ' ' THR . 3.8 t0 -62.48 143.49 57.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.261 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.35 134.18 2.73 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.504 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 24.7 mmm180 -115.45 126.98 27.2 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 122.326 -0.514 . . . . 0.0 110.508 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 12.3 Cg_exo . . . . . 0 C--O 1.233 0.248 0 C-N-CA 122.758 2.306 . . . . 0.0 112.003 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 112.035 -0.426 . . . . 0.0 112.035 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.73 ' HD1' ' HG2' ' A' ' 3' ' ' LYS . 26.6 p90 -161.25 147.43 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.73 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 19.6 pttp 44.32 46.91 7.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.875 0.87 . . . . 0.0 111.884 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -59.52 -35.56 74.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.133 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 m 59.75 37.11 22.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.14 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.3 tp -79.9 133.16 30.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.329 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.5 t -155.71 40.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.692 0.758 . . . . 0.0 109.568 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.402 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 1.1 p -146.41 139.45 25.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.945 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 8' ' ' THR . 48.9 mm 74.28 -44.88 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.036 0.534 . . . . 0.0 111.338 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 m -62.98 -38.78 92.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.214 0.53 . . . . 0.0 110.47 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 pt -102.07 149.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.081 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.528 ' CD ' HH12 ' A' ' 16' ' ' ARG . 5.0 tp10 -69.49 136.9 52.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' A' ' 15' ' ' GLY . 13.7 t70 -92.56 146.77 23.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.073 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -82.34 36.66 0.48 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.355 0.598 . . . . 0.0 110.739 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 13' ' ' ASP . . . -166.7 -125.65 0.78 Allowed Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.528 HH12 ' CD ' ' A' ' 12' ' ' GLU . 1.3 tpt180 -178.75 116.87 0.07 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 117.13 0.465 . . . . 0.0 110.809 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 12.3 m -85.28 138.78 32.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.417 HG23 ' HB2' ' A' ' 31' ' ' PRO . 22.7 p -64.47 142.97 58.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.963 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -93.58 59.11 2.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.568 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -156.2 -156.58 0.64 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.518 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -131.58 125.28 20.5 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.176 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.627 ' HD2' ' HA ' ' A' ' 31' ' ' PRO . 4.2 Cg_exo -80.15 140.19 52.28 Favored 'Cis proline' 0 C--N 1.344 0.329 0 C-N-CA 123.976 -1.26 . . . . 0.0 112.334 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 6.2 Cg_exo -78.0 113.64 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.592 2.195 . . . . 0.0 111.617 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 tt -151.01 145.07 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.155 0.502 . . . . 0.0 110.66 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 61.8 m -76.33 62.21 1.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.904 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -150.6 121.59 3.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.608 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.87 114.26 3.82 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.33 2.02 . . . . 0.0 112.04 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -168.74 159.22 9.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.609 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.59 -30.16 69.0 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.412 -0.423 . . . . 0.0 113.93 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 3.5 mtm-85 -66.78 -52.49 33.05 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.627 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 42.1 Cg_exo . . . . . 0 C--N 1.352 0.75 0 C-N-CA 122.14 1.893 . . . . 0.0 112.66 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -63.26 135.36 57.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.772 0.32 . . . . 0.0 110.261 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -123.55 67.45 1.01 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -59.46 -27.42 66.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.358 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -150.7 128.26 11.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.98 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.662 HG12 ' H ' ' A' ' 8' ' ' THR . 12.9 tt -169.94 139.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.242 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.1 p -120.45 28.27 8.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.622 0.725 . . . . 0.0 110.451 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.662 ' H ' HG12 ' A' ' 6' ' ' ILE . 3.2 m -113.16 108.81 17.8 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.646 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mm -75.04 -39.21 43.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 122.039 0.923 . . . . 0.0 109.1 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.3 m -160.1 -42.51 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.5 pt -137.45 149.87 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 113.967 -1.469 . . . . 0.0 107.475 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -73.39 141.59 46.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.18 132.32 50.03 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.444 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -176.9 128.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.501 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.86 135.85 3.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.749 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 116.4 21.57 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 58.5 m -71.6 133.37 45.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.33 0.586 . . . . 0.0 111.963 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.595 HG23 ' HA ' ' A' ' 30' ' ' ARG . 50.4 p -90.69 149.21 22.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.714 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 43.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -162.38 167.02 24.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.1 tt -79.38 129.64 71.36 Favored Pre-proline 0 C--N 1.319 -0.753 0 O-C-N 123.305 0.378 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.678 ' HD2' ' HD2' ' A' ' 31' ' ' PRO . 2.8 Cg_endo -87.1 135.02 15.95 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.355 -1.102 . . . . 0.0 112.025 0.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 5.9 Cg_exo -77.62 113.92 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.624 2.216 . . . . 0.0 111.915 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.2 tt -151.68 139.56 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.248 0.547 . . . . 0.0 110.518 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 60.6 m -87.65 91.77 8.86 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.919 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.726 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 21.2 t80 -175.67 -58.6 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.795 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 84.8 Cg_endo -83.23 160.63 15.29 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.358 2.039 . . . . 0.0 113.668 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -85.28 138.45 32.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.364 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.33 -79.28 0.42 Allowed Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 113.524 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.595 ' HA ' HG23 ' A' ' 18' ' ' THR . 15.6 ptm180 -173.05 140.47 0.92 Allowed Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 122.833 0.453 . . . . 0.0 110.132 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.678 ' HD2' ' HD2' ' A' ' 22' ' ' PRO . 16.6 Cg_exo . . . . . 0 C--O 1.235 0.349 0 C-N-CA 122.615 2.21 . . . . 0.0 111.87 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -78.11 57.93 1.91 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.337 -0.431 . . . . 0.0 110.726 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -152.01 143.23 23.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.992 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.2 m -151.64 -51.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.225 0.536 . . . . 0.0 110.024 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -76.66 66.46 2.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.651 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.7 mm -69.7 108.63 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.7 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m -160.02 148.86 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 m -68.17 87.6 0.28 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.752 0.311 . . . . 0.0 110.762 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.5 mm 72.4 -51.27 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.369 0.668 . . . . 0.0 111.234 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -157.99 -46.28 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.841 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.403 HG21 HD12 ' A' ' 11' ' ' ILE . 27.3 pt -141.01 156.14 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.89 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.26 133.52 50.76 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.327 0.392 . . . . 0.0 110.13 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -102.34 150.42 23.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.67 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -162.88 133.87 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.265 0.555 . . . . 0.0 110.496 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.699 ' HA2' ' HA ' ' A' ' 26' ' ' PHE . . . -175.58 41.53 0.11 Allowed Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -84.48 132.2 34.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.718 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 32.1 m -74.62 132.41 41.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.646 HG21 ' HA ' ' A' ' 30' ' ' ARG . 21.3 p -84.97 140.64 30.92 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.561 0.696 . . . . 0.0 111.716 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.829 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -100.29 37.69 1.63 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.688 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 m -161.42 165.0 29.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.06 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -75.64 127.58 85.53 Favored Pre-proline 0 C--N 1.319 -0.732 0 O-C-N 123.556 0.535 . . . . 0.0 110.607 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.562 ' HD2' ' HG2' ' A' ' 31' ' ' PRO . 7.4 Cg_endo -89.46 135.7 11.78 Favored 'Cis proline' 0 CA--C 1.532 0.384 0 C-N-CA 124.62 -0.991 . . . . 0.0 111.981 -0.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.477 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 4.0 Cg_exo -78.09 112.46 3.25 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.763 2.309 . . . . 0.0 112.455 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.1 pt -150.25 139.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.369 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.718 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 42.0 m -84.21 84.82 7.48 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.789 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 22.3 t80 -165.68 -56.98 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.451 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.789 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 90.3 Cg_endo -89.66 153.08 5.17 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.452 2.101 . . . . 0.0 113.203 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.46 136.02 34.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.978 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.52 -62.54 1.5 Allowed Glycine 0 C--O 1.238 0.369 0 CA-C-N 116.339 -0.391 . . . . 0.0 113.64 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.646 ' HA ' HG21 ' A' ' 18' ' ' THR . 7.2 ptm180 -176.53 146.0 0.71 Allowed Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 123.199 0.6 . . . . 0.0 110.053 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.562 ' HG2' ' HD2' ' A' ' 22' ' ' PRO . 23.7 Cg_exo . . . . . 0 C--O 1.238 0.504 0 C-N-CA 122.569 2.179 . . . . 0.0 112.005 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -70.85 143.95 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.97 0.415 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -159.7 128.39 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -62.78 -45.63 91.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.364 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m 56.49 41.89 28.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.877 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 tt -70.96 132.77 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.154 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 m -160.25 137.92 9.69 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.7 m -60.6 118.7 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.299 0.375 . . . . 0.0 110.877 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mp -71.94 -45.44 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.343 0.592 . . . . 0.0 110.567 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.5 m -159.77 -49.28 0.05 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.636 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.635 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -131.59 150.63 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.143 179.184 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -157.18 131.88 8.7 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -121.81 160.9 23.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.013 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -157.27 32.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.285 0.564 . . . . 0.0 109.914 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.46 142.19 47.05 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.697 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 16' ' ' ARG . 3.2 mmt85 -82.16 141.89 32.67 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.613 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 39.8 m -58.95 134.22 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.216 0.532 . . . . 0.0 111.433 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p -68.85 145.27 53.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.752 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.96 38.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.534 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -159.84 172.32 17.87 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -81.7 126.75 74.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.282 0.364 . . . . 0.0 110.948 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 92.4 Cg_endo -89.26 136.6 12.72 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 124.07 -1.221 . . . . 0.0 112.4 -0.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.7 Cg_exo -78.98 106.71 2.12 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.849 2.366 . . . . 0.0 112.099 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.21 146.18 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.613 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 21.8 m -78.62 64.68 3.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.002 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 59.3 t80 -164.37 137.96 4.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.504 -0.771 . . . . 0.0 108.978 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.627 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 10.0 Cg_endo -53.85 138.71 69.2 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.614 2.209 . . . . 0.0 111.898 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -55.93 133.39 51.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.42 0.628 . . . . 0.0 111.786 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -170.99 43.96 0.19 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.48 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 25.1 ptt-85 -60.88 134.93 92.69 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.227 -0.487 . . . . 0.0 111.044 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 15.5 Cg_exo . . . . . 0 C--O 1.234 0.294 0 C-N-CA 122.631 2.221 . . . . 0.0 111.986 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -156.11 133.82 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 80.8 tttt 54.74 38.76 30.68 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.879 0.737 . . . . 0.0 111.357 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -79.64 -27.29 40.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 p 48.45 48.05 19.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.792 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.8 mm -76.64 131.18 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.229 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 t -78.04 53.03 1.13 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.132 0.492 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -156.92 136.22 12.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.77 -47.42 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.013 0.435 . . . . 0.0 110.538 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.65 -63.79 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.756 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.534 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -143.71 156.53 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.184 178.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -159.9 144.96 15.16 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -73.54 142.4 46.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.254 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.51 -34.62 71.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.126 0.489 . . . . 0.0 110.507 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.22 -119.23 1.5 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.66 144.07 1.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.802 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.1 m -67.1 135.27 53.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 0.0 111.078 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 28' ' ' ASP . 17.9 p -64.0 146.05 54.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -98.45 37.16 1.5 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.2 179.458 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -161.21 174.91 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.453 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.455 HG12 ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -85.0 129.77 54.89 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 123.17 0.294 . . . . 0.0 110.694 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.455 ' HA ' HG12 ' A' ' 21' ' ' ILE . 71.9 Cg_endo -87.82 135.87 15.18 Favored 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.744 -1.357 . . . . 0.0 112.079 -0.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 10.3 Cg_exo -75.59 106.53 2.29 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.685 2.257 . . . . 0.0 112.164 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 tp -151.09 146.84 15.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.389 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.802 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 9.2 m -69.09 103.77 1.96 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.089 0.947 . . . . 0.0 110.13 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.655 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 49.6 t80 -178.34 144.06 0.47 Allowed Pre-proline 0 N--CA 1.444 -0.728 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.655 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 2.6 Cg_endo -41.53 121.99 1.73 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.913 2.408 . . . . 0.0 112.236 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.618 ' HA ' HG22 ' A' ' 18' ' ' THR . 8.6 t70 -61.16 108.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.869 -178.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.19 139.7 2.72 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.862 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.621 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . 3.6 tpm_? -153.3 -54.04 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.977 0.389 . . . . 0.0 111.595 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' A' ' 30' ' ' ARG . 20.4 Cg_exo . . . . . 0 C--N 1.353 0.815 0 C-N-CA 121.89 1.727 . . . . 0.0 112.079 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 112.192 -0.363 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.11 151.83 34.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.375 . . . . 0.0 111.444 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' HE3' ' HB2' ' A' ' 3' ' ' LYS . 17.7 ptmt -76.99 81.25 3.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 111.402 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m 77.26 -35.41 0.22 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.474 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 3' ' ' LYS . 12.3 p -175.53 -43.76 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.545 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.445 HG21 HG13 ' A' ' 9' ' ' ILE . 34.0 mm -63.06 135.65 27.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.007 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.4 t -143.78 158.07 43.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 p 54.72 52.77 11.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.839 0.828 . . . . 0.0 110.371 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 HG21 ' A' ' 6' ' ' ILE . 4.6 mp -67.58 -43.0 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.604 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.0 m -160.37 -48.34 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.101 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -92.49 169.75 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -78.89 66.34 4.32 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.56 128.84 37.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.503 0.668 . . . . 0.0 110.322 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 25' ' ' CYS . 10.9 m120 -73.28 141.75 47.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.206 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.02 -138.33 5.99 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.71 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.502 ' HD2' ' OD2' ' A' ' 28' ' ' ASP . 99.3 mtt180 -72.24 135.78 46.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.685 0.278 . . . . 0.0 111.525 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 34.3 m -90.37 133.76 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.034 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.622 HG22 ' HB2' ' A' ' 30' ' ' ARG . 17.7 p -81.43 144.03 31.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.154 0.502 . . . . 0.0 111.584 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -106.51 40.63 1.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.745 0.783 . . . . 0.0 108.964 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -160.09 178.6 9.52 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 12.9 tt -86.19 129.07 55.13 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 120.688 0.28 . . . . 0.0 111.378 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 83.2 Cg_endo -89.39 137.14 12.87 Favored 'Cis proline' 0 C--N 1.346 0.435 0 C-N-CA 123.797 -1.334 . . . . 0.0 112.205 -0.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.4 Cg_exo -75.85 97.99 1.15 Allowed 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.72 2.28 . . . . 0.0 111.95 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' HB ' ' CD ' ' A' ' 27' ' ' PRO . 9.7 mt -142.1 140.99 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.939 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 33.9 m -84.97 66.21 9.63 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.987 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 30.2 t80 -166.44 -56.82 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.86 -179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 74.6 Cg_endo -78.12 72.05 6.4 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.902 1.735 . . . . 0.0 112.719 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' OD2' ' HD2' ' A' ' 16' ' ' ARG . 47.3 t0 -62.39 165.69 5.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.147 0.499 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.87 34.25 39.07 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.654 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.622 ' HB2' HG22 ' A' ' 18' ' ' THR . 12.0 mmt180 -126.58 73.08 74.22 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.536 0.207 . . . . 0.0 110.579 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo . . . . . 0 C--N 1.344 0.328 0 C-N-CA 122.758 2.305 . . . . 0.0 112.033 -179.766 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.304 -0.319 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -76.93 63.33 2.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.225 0.536 . . . . 0.0 110.666 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -76.97 123.43 26.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.419 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -65.42 -41.11 93.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 70.46 -57.32 0.58 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.522 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.23 124.62 21.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.398 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -135.22 129.34 33.53 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.462 HG21 ' HG3' ' A' ' 12' ' ' GLU . 16.3 p -80.15 53.37 1.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.573 0.702 . . . . 0.0 111.942 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -73.1 -41.75 59.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.63 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.8 p -130.72 -47.62 1.05 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.327 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.651 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 44.3 pt -77.78 145.75 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.044 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' A' ' 8' ' ' THR . 52.6 tt0 179.7 138.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -82.74 166.4 19.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 111.782 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.67 36.75 19.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.29 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.34 -169.57 41.12 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.202 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 68.06 135.14 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.71 0.766 . . . . 0.0 111.588 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 38.5 m -82.77 137.92 34.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.809 HG22 ' HA ' ' A' ' 30' ' ' ARG . 63.7 p -73.54 153.96 40.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.88 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 8.6 mptt -114.23 39.71 2.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.032 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 m -165.43 172.58 12.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.495 HD11 ' HD3' ' A' ' 23' ' ' PRO . 47.5 mm -79.17 128.19 76.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 O-C-N 123.411 0.445 . . . . 0.0 110.199 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.597 ' HD2' ' HD2' ' A' ' 31' ' ' PRO . 7.8 Cg_endo -90.14 136.01 10.89 Favored 'Cis proline' 0 N--CA 1.461 -0.412 0 C-N-CA 124.439 -1.067 . . . . 0.0 112.041 -0.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.587 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.9 Cg_exo -75.36 112.69 3.59 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.732 2.288 . . . . 0.0 111.971 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.99 140.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 0.0 110.302 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 18.9 m -88.45 85.2 6.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.315 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.728 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.1 t80 -170.21 -55.86 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.115 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.8 ' HG2' ' HG3' ' A' ' 31' ' ' PRO . 1.4 Cg_endo -85.19 139.33 7.05 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.548 2.165 . . . . 0.0 110.743 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.651 ' OD2' ' HB ' ' A' ' 11' ' ' ILE . 40.7 t0 -74.4 140.48 44.76 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.274 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.46 -74.93 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.423 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.809 ' HA ' HG22 ' A' ' 18' ' ' THR . 6.7 ptm180 -174.02 143.89 0.96 Allowed Pre-proline 0 C--N 1.327 -0.402 0 C-N-CA 123.068 0.547 . . . . 0.0 110.134 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.8 ' HG3' ' HG2' ' A' ' 27' ' ' PRO . 24.5 Cg_exo . . . . . 0 C--O 1.238 0.501 0 C-N-CA 122.512 2.141 . . . . 0.0 112.069 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.212 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -65.73 127.69 32.97 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -145.56 53.37 1.18 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 m -62.54 -39.59 94.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.449 0.642 . . . . 0.0 110.479 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -82.95 130.2 35.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.649 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.2 pt -63.09 129.36 26.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.969 0.414 . . . . 0.0 111.266 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.4 p -72.66 129.49 38.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.541 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 t -159.12 144.94 16.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.079 0.466 . . . . 0.0 110.697 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.45 HD12 HG22 ' A' ' 9' ' ' ILE . 49.8 mt -72.78 -24.77 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.157 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.7 m 77.23 -47.69 0.51 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.431 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mm -95.05 166.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -161.33 137.37 8.1 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -75.01 136.59 41.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.703 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 56.17 33.95 23.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.813 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.673 ' HA2' ' HA ' ' A' ' 26' ' ' PHE . . . -169.36 26.08 0.11 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.998 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -83.01 132.07 35.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.62 -0.341 . . . . 0.0 110.102 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 34.8 m -71.19 135.0 47.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.052 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 p -83.97 146.57 27.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.143 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -107.62 40.46 1.7 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.694 0.759 . . . . 0.0 109.552 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 m -159.84 175.31 13.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.789 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 48.2 mm -83.69 127.31 68.28 Favored Pre-proline 0 C--N 1.321 -0.636 0 O-C-N 123.254 0.346 . . . . 0.0 110.316 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 16.1 Cg_endo -90.97 137.07 9.96 Favored 'Cis proline' 0 N--CA 1.46 -0.488 0 C-N-CA 124.159 -1.184 . . . . 0.0 112.255 -0.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -76.96 110.01 2.95 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.643 2.229 . . . . 0.0 111.857 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tp -150.97 137.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.391 0.615 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 24.7 m -86.55 82.45 7.91 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.004 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.843 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 34.0 t80 -168.23 -60.51 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.05 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 32.3 Cg_endo -91.02 128.03 1.24 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.006 1.804 . . . . 0.0 112.146 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -81.2 142.99 32.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.23 -122.3 6.45 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.621 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 40.0 ptt180 -173.25 138.28 0.79 Allowed Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 21.5 Cg_exo . . . . . 0 C--O 1.233 0.246 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.718 0.771 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.83 47.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.4 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -169.85 -158.62 0.18 Allowed 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -99.46 127.32 34.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 87.3 Cg_endo -89.24 138.58 14.23 Favored 'Cis proline' 0 C--N 1.345 0.38 0 C-N-CA 123.832 -1.32 . . . . 0.0 112.195 -0.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 9.6 Cg_exo -74.19 96.99 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.521 2.147 . . . . 0.0 111.897 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 tt -151.35 148.38 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.6 m . . . . . 0 C--N 1.317 -0.84 0 CA-C-O 121.728 0.775 . . . . 0.0 110.387 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.278 0.561 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -106.35 42.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -161.18 173.37 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.2 mm -81.51 127.15 74.23 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 123.296 0.372 . . . . 0.0 110.61 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 83.5 Cg_endo -90.22 137.24 11.41 Favored 'Cis proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.304 -0.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 9.3 Cg_exo -74.97 111.13 3.25 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.648 2.232 . . . . 0.0 111.957 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.5 tp -150.76 143.19 16.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.344 0.592 . . . . 0.0 109.925 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.278 -178.818 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 121.265 0.555 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -103.31 40.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.781 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 m -159.93 174.99 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 22' ' ' PRO . 6.0 tp -84.55 126.64 68.42 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.647 0.261 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.781 ' HA ' HD12 ' A' ' 21' ' ' ILE . 25.6 Cg_endo -91.78 138.64 9.54 Favored 'Cis proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.23 -0.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.1 Cg_exo -74.96 103.95 1.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.677 2.252 . . . . 0.0 111.582 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 mt -136.88 140.42 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.605 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.509 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 60.3 p . . . . . 0 N--CA 1.443 -0.785 0 CA-C-O 121.771 0.796 . . . . 0.0 112.685 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 41.42 1.27 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.542 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m -163.62 169.27 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -83.75 129.75 58.25 Favored Pre-proline 0 C--N 1.319 -0.729 0 O-C-N 123.384 0.428 . . . . 0.0 110.391 179.668 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 98.1 Cg_endo -87.21 136.33 16.9 Favored 'Cis proline' 0 C--O 1.237 0.457 0 C-N-CA 123.962 -1.266 . . . . 0.0 112.476 -0.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.509 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.9 Cg_exo -74.5 111.34 3.29 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.82 2.346 . . . . 0.0 112.123 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.7 tp -151.08 143.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.348 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 122.063 0.935 . . . . 0.0 111.382 -178.92 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 121.203 0.525 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -111.34 51.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.376 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -163.63 -157.79 0.43 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.825 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.7 tp -103.42 121.44 48.53 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.673 ' HA ' HD12 ' A' ' 21' ' ' ILE . 96.7 Cg_endo -92.52 144.65 11.3 Favored 'Cis proline' 0 N--CA 1.46 -0.476 0 C-N-CA 124.073 -1.22 . . . . 0.0 112.546 -0.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.535 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -76.77 90.92 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.181 2.587 . . . . 0.0 112.159 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 tp -151.54 141.42 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.217 0.532 . . . . 0.0 110.322 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.315 -0.909 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.501 -179.407 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.518 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 23.5 p . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 121.294 0.568 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.14 43.81 1.65 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.788 0.804 . . . . 0.0 109.211 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -159.37 174.5 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -86.64 127.41 60.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 121.338 -0.145 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 10.2 Cg_endo -89.76 137.79 12.61 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.524 -1.032 . . . . 0.0 112.546 -0.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 5.5 Cg_exo -80.8 117.46 3.3 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.047 2.498 . . . . 0.0 112.467 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.9 tp -151.76 137.64 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.433 0.635 . . . . 0.0 110.507 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.607 -178.65 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.834 0.35 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -110.87 43.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 m -163.33 171.38 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -78.08 126.25 83.95 Favored Pre-proline 0 C--N 1.321 -0.674 0 O-C-N 123.381 0.426 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.763 ' HA ' HD12 ' A' ' 21' ' ' ILE . 88.1 Cg_endo -91.78 137.8 9.26 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.396 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 15.7 Cg_exo -71.82 113.8 3.77 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 0.0 111.496 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 pt -144.32 137.83 23.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.808 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.319 -0.738 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 -179.231 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.166 0.507 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -93.55 57.4 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -154.98 179.68 8.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 11.0 tt -108.78 129.69 23.65 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.645 0.259 . . . . 0.0 111.013 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 94.4 Cg_endo -83.87 140.64 36.5 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.155 -0.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 11.9 Cg_exo -71.67 120.86 7.19 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.409 2.072 . . . . 0.0 112.075 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 tt -150.63 142.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.18 -179.312 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 5.3 p . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -111.05 37.73 2.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -165.91 -179.09 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.834 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 22' ' ' PRO . 6.3 tp -78.49 126.55 82.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 123.155 0.285 . . . . 0.0 110.792 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.782 ' HA ' HD12 ' A' ' 21' ' ' ILE . 10.9 Cg_endo -91.99 134.88 8.02 Favored 'Cis proline' 0 N--CA 1.459 -0.548 0 C-N-CA 124.631 -0.987 . . . . 0.0 111.833 -0.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -78.39 105.71 2.02 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.704 2.269 . . . . 0.0 112.063 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.8 tt -151.15 140.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.09 0.472 . . . . 0.0 110.431 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.965 -179.348 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 16.2 p . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.0 111.483 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -109.27 41.03 1.72 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m -161.71 175.83 11.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 50.5 mm -81.54 126.14 76.79 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 123.107 0.254 . . . . 0.0 110.553 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 64.6 Cg_endo -93.1 138.65 7.9 Favored 'Cis proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.954 -1.269 . . . . 0.0 112.631 -0.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.455 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 2.9 Cg_exo -76.98 115.76 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.647 2.231 . . . . 0.0 111.298 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.52 143.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.077 0.465 . . . . 0.0 111.248 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.9 m . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.703 -179.433 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.215 0.531 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -110.03 40.43 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.551 0.691 . . . . 0.0 109.508 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 m -160.51 171.9 18.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 50.5 mm -75.33 125.09 89.31 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 123.01 0.194 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.533 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 31.1 Cg_endo -93.77 137.76 7.05 Favored 'Cis proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.22 -1.159 . . . . 0.0 112.316 -0.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.533 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.8 Cg_exo -74.35 105.05 1.97 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.623 2.216 . . . . 0.0 111.679 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -145.8 144.26 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.643 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 m . . . . . 0 C--N 1.322 -0.622 0 CA-C-O 121.709 0.766 . . . . 0.0 109.74 179.321 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 22.3 p . . . . . 0 N--CA 1.446 -0.626 0 CA-C-O 121.598 0.713 . . . . 0.0 111.598 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.511 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.41 43.33 1.19 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.525 178.831 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -161.59 164.51 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.773 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -78.28 127.53 80.84 Favored Pre-proline 0 C--N 1.321 -0.663 0 O-C-N 123.199 0.312 . . . . 0.0 110.31 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.749 ' HA ' HD12 ' A' ' 21' ' ' ILE . 19.3 Cg_endo -91.31 138.25 9.99 Favored 'Cis proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.518 -1.034 . . . . 0.0 112.243 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.492 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 Cg_exo -73.99 114.15 3.96 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.85 2.366 . . . . 0.0 112.374 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 tp -151.4 136.98 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.513 . . . . 0.0 109.794 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.276 -178.439 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -93.58 59.11 2.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.568 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -156.2 -156.58 0.64 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.518 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -131.58 125.28 20.5 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.176 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.87 ' HA ' HD12 ' A' ' 21' ' ' ILE . 4.2 Cg_exo -80.15 140.19 52.28 Favored 'Cis proline' 0 C--N 1.344 0.329 0 C-N-CA 123.976 -1.26 . . . . 0.0 112.334 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD3' HD12 ' A' ' 21' ' ' ILE . 6.2 Cg_exo -78.0 113.64 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.592 2.195 . . . . 0.0 111.617 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 tt -151.01 145.07 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.155 0.502 . . . . 0.0 110.66 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.904 -179.399 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.429 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 50.4 p . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.819 0.343 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.47 43.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -162.38 167.02 24.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.1 tt -79.38 129.64 71.36 Favored Pre-proline 0 C--N 1.319 -0.753 0 O-C-N 123.305 0.378 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -87.1 135.02 15.95 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.355 -1.102 . . . . 0.0 112.025 0.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 5.9 Cg_exo -77.62 113.92 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.624 2.216 . . . . 0.0 111.915 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.2 tt -151.68 139.56 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.248 0.547 . . . . 0.0 110.518 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.315 -0.908 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.919 -179.467 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 21.3 p . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 121.561 0.696 . . . . 0.0 111.716 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.902 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -100.29 37.69 1.63 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.688 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 m -161.42 165.0 29.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.06 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -75.64 127.58 85.53 Favored Pre-proline 0 C--N 1.319 -0.732 0 O-C-N 123.556 0.535 . . . . 0.0 110.607 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 7.4 Cg_endo -89.46 135.7 11.78 Favored 'Cis proline' 0 CA--C 1.532 0.384 0 C-N-CA 124.62 -0.991 . . . . 0.0 111.981 -0.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.533 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 4.0 Cg_exo -78.09 112.46 3.25 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.763 2.309 . . . . 0.0 112.455 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.1 pt -150.25 139.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.369 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.446 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 121.236 0.541 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.96 38.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.534 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -159.84 172.32 17.87 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -81.7 126.75 74.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.282 0.364 . . . . 0.0 110.948 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.811 ' HA ' HD12 ' A' ' 21' ' ' ILE . 92.4 Cg_endo -89.26 136.6 12.72 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 124.07 -1.221 . . . . 0.0 112.4 -0.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.485 ' HD3' HD12 ' A' ' 21' ' ' ILE . 2.7 Cg_exo -78.98 106.71 2.12 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.849 2.366 . . . . 0.0 112.099 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.21 146.18 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.002 179.48 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 17.9 p . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 121.408 0.623 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -98.45 37.16 1.5 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.2 179.458 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -161.21 174.91 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.453 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -85.0 129.77 54.89 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 123.17 0.294 . . . . 0.0 110.694 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 71.9 Cg_endo -87.82 135.87 15.18 Favored 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.744 -1.357 . . . . 0.0 112.079 -0.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 10.3 Cg_exo -75.59 106.53 2.29 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.685 2.257 . . . . 0.0 112.164 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 tp -151.09 146.84 15.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.389 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.32 -0.678 0 CA-C-O 122.089 0.947 . . . . 0.0 110.13 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 121.154 0.502 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -106.51 40.63 1.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.745 0.783 . . . . 0.0 108.964 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -160.09 178.6 9.52 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 12.9 tt -86.19 129.07 55.13 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 120.688 0.28 . . . . 0.0 111.378 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.515 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 83.2 Cg_endo -89.39 137.14 12.87 Favored 'Cis proline' 0 C--N 1.346 0.435 0 C-N-CA 123.797 -1.334 . . . . 0.0 112.205 -0.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.4 Cg_exo -75.85 97.99 1.15 Allowed 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.72 2.28 . . . . 0.0 111.95 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.7 mt -142.1 140.99 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.939 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.987 178.997 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.649 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 63.7 p . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.74 0.305 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 8.6 mptt -114.23 39.71 2.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.032 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 m -165.43 172.58 12.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.5 mm -79.17 128.19 76.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 O-C-N 123.411 0.445 . . . . 0.0 110.199 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 7.8 Cg_endo -90.14 136.01 10.89 Favored 'Cis proline' 0 N--CA 1.461 -0.412 0 C-N-CA 124.439 -1.067 . . . . 0.0 112.041 -0.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.649 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.9 Cg_exo -75.36 112.69 3.59 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.732 2.288 . . . . 0.0 111.971 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.99 140.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 0.0 110.302 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.315 -179.018 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 12.0 p . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 121.077 0.465 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -107.62 40.46 1.7 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.694 0.759 . . . . 0.0 109.552 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 m -159.84 175.31 13.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.789 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 48.2 mm -83.69 127.31 68.28 Favored Pre-proline 0 C--N 1.321 -0.636 0 O-C-N 123.254 0.346 . . . . 0.0 110.316 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 16.1 Cg_endo -90.97 137.07 9.96 Favored 'Cis proline' 0 N--CA 1.46 -0.488 0 C-N-CA 124.159 -1.184 . . . . 0.0 112.255 -0.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.442 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 4.8 Cg_exo -76.96 110.01 2.95 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.643 2.229 . . . . 0.0 111.857 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tp -150.97 137.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.391 0.615 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.7 m . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.004 -179.182 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -71.46 121.49 18.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.373 -0.413 . . . . 0.0 110.17 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 3' ' ' LYS . 53.0 mtpt -80.88 128.68 33.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -68.5 -38.54 81.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.541 0.686 . . . . 0.0 109.774 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -75.78 132.73 40.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.235 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.14 144.58 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.111 0.481 . . . . 0.0 110.766 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.2 m -148.04 83.16 1.51 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.014 0.435 . . . . 0.0 110.095 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 m -72.17 70.83 0.83 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.41 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.38 -31.79 55.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.586 0.708 . . . . 0.0 110.164 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -151.48 -46.42 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.335 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 pt -127.63 151.1 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.434 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.11 120.78 31.58 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.619 ' HA ' ' NH1' ' A' ' 16' ' ' ARG . 35.0 t70 -169.36 145.85 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.529 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -175.43 129.74 0.27 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.21 -120.71 16.42 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.281 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.619 ' NH1' ' HA ' ' A' ' 13' ' ' ASP . 96.3 mtt180 57.6 -148.81 0.48 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.882 0.373 . . . . 0.0 111.375 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.718 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 9.3 m -119.09 133.87 55.54 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.821 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.417 HG21 ' O ' ' A' ' 28' ' ' ASP . 19.2 p -64.19 145.78 55.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.718 0.771 . . . . 0.0 112.902 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.83 47.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.4 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -169.85 -158.62 0.18 Allowed 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -99.46 127.32 34.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.535 ' HD3' ' HG2' ' A' ' 30' ' ' ARG . 87.3 Cg_endo -89.24 138.58 14.23 Favored 'Cis proline' 0 C--N 1.345 0.38 0 C-N-CA 123.832 -1.32 . . . . 0.0 112.195 -0.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 9.6 Cg_exo -74.19 96.99 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.521 2.147 . . . . 0.0 111.897 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 tt -151.35 148.38 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.718 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 62.6 m -79.1 62.76 3.58 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.728 0.775 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.597 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 47.9 t80 -148.98 138.38 12.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.226 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.597 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 38.8 Cg_endo -66.81 68.54 0.53 Allowed 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.934 2.422 . . . . 0.0 113.468 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' HG21 ' A' ' 18' ' ' THR . 12.1 t70 -156.57 135.62 11.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.118 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' HA2' ' HD2' ' A' ' 22' ' ' PRO . . . -157.39 147.53 15.82 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.86 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HG2' ' HD3' ' A' ' 22' ' ' PRO . 43.8 mmt-85 -89.05 128.89 50.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 14.6 Cg_exo . . . . . 0 C--O 1.233 0.227 0 C-N-CA 122.452 2.102 . . . . 0.0 112.042 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.5 128.1 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.675 0.274 . . . . 0.0 110.324 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -69.58 93.37 0.69 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -66.03 -32.11 73.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.806 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -73.35 61.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.519 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.2 118.0 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 m -109.43 46.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.052 0.453 . . . . 0.0 110.516 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.529 HG22 HG13 ' A' ' 9' ' ' ILE . 16.2 m -156.56 123.6 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.265 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.529 HG13 HG22 ' A' ' 8' ' ' THR . 77.2 mt 72.27 -45.72 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 123.691 0.619 . . . . 0.0 111.924 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 p -62.58 -41.47 98.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.528 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.8 pt -106.35 146.96 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -75.72 144.24 41.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.578 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.486 ' OD1' ' HD3' ' A' ' 16' ' ' ARG . 37.9 t70 -158.63 132.14 7.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.149 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -82.71 39.62 0.63 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.6 49.25 57.11 Favored Glycine 0 C--O 1.241 0.534 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.459 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HD3' ' OD1' ' A' ' 13' ' ' ASP . 18.1 mtp-105 -80.56 34.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.235 0.541 . . . . 0.0 111.307 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 7.3 m -71.45 141.42 50.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.027 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p -53.29 142.46 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.278 0.561 . . . . 0.0 112.011 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -106.35 42.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -161.18 173.37 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.2 mm -81.51 127.15 74.23 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 123.296 0.372 . . . . 0.0 110.61 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 83.5 Cg_endo -90.22 137.24 11.41 Favored 'Cis proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.304 -0.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 9.3 Cg_exo -74.97 111.13 3.25 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.648 2.232 . . . . 0.0 111.957 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.5 tp -150.76 143.19 16.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.344 0.592 . . . . 0.0 109.925 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 39.6 m -79.23 60.61 3.11 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.278 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -156.56 124.66 2.85 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.175 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.91 124.02 11.37 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.478 2.119 . . . . 0.0 111.856 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -160.39 156.03 25.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.546 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.82 66.95 1.38 Allowed Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 114.064 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.684 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 14.2 mmt180 -115.79 -54.56 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.496 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.684 ' HD3' ' HB2' ' A' ' 30' ' ' ARG . 17.7 Cg_exo . . . . . 0 C--N 1.354 0.818 0 C-N-CA 121.853 1.702 . . . . 0.0 111.994 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -73.06 125.6 28.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.661 0.267 . . . . 0.0 110.341 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -81.2 50.33 1.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.234 0.54 . . . . 0.0 110.783 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.3 m -69.17 -28.48 66.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.594 0.711 . . . . 0.0 109.852 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 m -156.67 -46.45 0.07 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.29 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.1 pt -75.25 128.16 36.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.486 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -92.83 50.46 1.57 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 m -76.93 58.72 1.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.425 0.631 . . . . 0.0 111.087 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.496 HG13 ' H ' ' A' ' 10' ' ' THR . 2.7 pt -69.62 -53.21 25.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.496 ' H ' HG13 ' A' ' 9' ' ' ILE . 20.9 m 73.65 -50.5 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.6 pt -120.3 151.69 23.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.425 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.44 138.86 39.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.606 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -160.7 122.94 3.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.015 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -165.1 139.19 4.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.012 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.05 -63.82 2.8 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HD2' ' CG ' ' A' ' 28' ' ' ASP . 29.6 ttm180 63.31 119.28 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.846 0.858 . . . . 0.0 112.372 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 6.1 m -84.87 131.44 34.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.584 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' A' ' 28' ' ' ASP . 6.9 p -71.53 146.02 48.76 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.744 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -103.31 40.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.781 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 m -159.93 174.99 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 22' ' ' PRO . 6.0 tp -84.55 126.64 68.42 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.647 0.261 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.781 ' HA ' HD12 ' A' ' 21' ' ' ILE . 25.6 Cg_endo -91.78 138.64 9.54 Favored 'Cis proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.23 -0.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.1 Cg_exo -74.96 103.95 1.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.677 2.252 . . . . 0.0 111.582 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 mt -136.88 140.42 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 21.6 m -88.03 64.75 7.93 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.605 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.721 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 22.0 t80 -167.47 -57.5 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.823 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 18.0 Cg_endo -91.71 69.32 0.98 Allowed 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.379 2.053 . . . . 0.0 112.487 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.51 ' CG ' ' HD2' ' A' ' 16' ' ' ARG . 25.9 t70 -63.61 170.39 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.172 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.24 40.35 29.18 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.142 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -89.23 130.01 45.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.651 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 16.9 Cg_exo . . . . . 0 C--O 1.234 0.28 0 C-N-CA 122.5 2.134 . . . . 0.0 111.999 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -77.15 58.85 1.64 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.103 0.478 . . . . 0.0 111.365 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -77.33 64.05 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.561 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.7 m -59.56 -40.41 87.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.412 0.625 . . . . 0.0 110.553 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -79.67 101.02 8.14 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.886 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.41 117.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.59 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 p -166.88 119.68 0.98 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -89.63 119.68 30.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.57 -46.53 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.817 0.817 . . . . 0.0 110.286 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.0 m -156.92 -47.99 0.07 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.51 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -141.67 144.97 25.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 176.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -95.93 145.89 25.03 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.79 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.81 143.16 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.289 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -65.67 131.99 47.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.466 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.32 110.59 2.58 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.291 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -70.38 124.39 24.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.85 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.6 m -67.05 131.93 46.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.476 0.655 . . . . 0.0 110.024 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.509 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 60.3 p -79.25 143.17 35.55 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.685 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 41.42 1.27 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.542 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m -163.62 169.27 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -83.75 129.75 58.25 Favored Pre-proline 0 C--N 1.319 -0.729 0 O-C-N 123.384 0.428 . . . . 0.0 110.391 179.668 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 98.1 Cg_endo -87.21 136.33 16.9 Favored 'Cis proline' 0 C--O 1.237 0.457 0 C-N-CA 123.962 -1.266 . . . . 0.0 112.476 -0.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.509 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.9 Cg_exo -74.5 111.34 3.29 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.82 2.346 . . . . 0.0 112.123 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.7 tp -151.08 143.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.348 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.85 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 62.7 m -77.74 78.43 4.24 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.063 0.935 . . . . 0.0 111.382 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 38.1 t80 -169.15 127.34 0.87 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 113.579 -1.646 . . . . 0.0 107.19 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 26' ' ' PHE . 11.3 Cg_exo -34.57 123.72 0.18 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 124.232 3.288 . . . . 0.0 113.349 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 14.6 p-10 -74.45 65.17 1.22 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.54 0.23 82.79 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.013 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.726 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 15.0 mtm-85 -96.26 -54.71 0.21 Allowed Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.42 -0.39 . . . . 0.0 111.162 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.726 ' HD3' ' HB2' ' A' ' 30' ' ' ARG . 20.8 Cg_exo . . . . . 0 C--N 1.359 1.086 0 C-N-CA 122.096 1.864 . . . . 0.0 112.317 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.571 0 N-CA-C 112.087 -0.405 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -80.21 63.89 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.685 0.278 . . . . 0.0 110.706 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.9 mttm 59.82 38.88 21.18 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.431 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 m -69.24 -30.59 68.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -163.0 138.54 6.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.64 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.6 tt -80.92 133.93 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 m 55.74 40.44 30.8 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.176 0.513 . . . . 0.0 111.664 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -90.06 43.28 1.14 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.834 0.825 . . . . 0.0 110.429 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mm 70.19 -53.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.262 -1.335 . . . . 0.0 112.336 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 p -76.38 -47.09 24.54 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.3 pt -122.91 151.63 27.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.246 0.546 . . . . 0.0 112.127 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -156.25 151.58 26.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.351 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.493 ' HB3' ' H ' ' A' ' 14' ' ' ASN . 42.7 m-20 -78.22 -133.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.179 0.514 . . . . 0.0 111.955 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.493 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 p30 -115.12 168.27 10.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.414 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.04 31.14 21.1 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.011 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -79.21 133.09 36.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 35.5 m -66.71 130.29 42.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.195 0.522 . . . . 0.0 110.958 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.412 HG21 ' HB3' ' A' ' 30' ' ' ARG . 18.9 p -85.07 147.2 26.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.364 -0.834 . . . . 0.0 112.311 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -111.34 51.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.376 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -163.63 -157.79 0.43 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.825 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.7 tp -103.42 121.44 48.53 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.673 ' HA ' HD12 ' A' ' 21' ' ' ILE . 96.7 Cg_endo -92.52 144.65 11.3 Favored 'Cis proline' 0 N--CA 1.46 -0.476 0 C-N-CA 124.073 -1.22 . . . . 0.0 112.546 -0.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.535 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -76.77 90.92 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.181 2.587 . . . . 0.0 112.159 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 3.5 tp -151.54 141.42 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.217 0.532 . . . . 0.0 110.322 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.608 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 3.3 m -80.75 76.93 7.64 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.501 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' H ' ' HD2' ' A' ' 27' ' ' PRO . 28.1 t80 -165.75 -52.88 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.556 ' HD2' ' H ' ' A' ' 26' ' ' PHE . 71.8 Cg_endo -74.66 73.17 4.2 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.988 1.792 . . . . 0.0 112.532 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -57.64 135.06 56.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.908 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.28 26.89 62.8 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.626 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 27.8 tpt180 -76.88 118.66 73.3 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.411 0.148 . . . . 0.0 110.637 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 9.7 Cg_exo . . . . . 0 C--O 1.235 0.366 0 C-N-CA 122.655 2.237 . . . . 0.0 111.901 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.215 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -63.83 136.37 57.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.735 0.302 . . . . 0.0 110.342 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -140.0 135.19 32.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -64.09 -41.05 97.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.171 0.51 . . . . 0.0 110.692 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 m -79.89 51.39 1.32 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.937 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.402 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 tt -80.16 118.04 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.862 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . 46.7 m -80.84 44.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -172.42 54.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.6 1.19 . . . . 0.0 110.167 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.402 HG12 HG23 ' A' ' 6' ' ' ILE . 58.2 mt -72.0 -44.39 66.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.238 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.4 p -128.27 -40.15 1.66 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.829 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.7 pt -133.67 150.92 32.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.219 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -69.73 129.34 39.34 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 123.485 0.491 . . . . 0.0 110.558 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.862 ' HB3' ' HB3' ' A' ' 7' ' ' SER . 12.4 t70 -82.88 144.49 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.188 0.518 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -84.77 43.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.407 0.622 . . . . 0.0 110.436 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 17' ' ' CYS . . . -64.15 162.48 35.92 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.892 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -73.4 38.03 0.09 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.379 0.609 . . . . 0.0 111.265 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 40.5 m -101.16 137.0 40.1 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.518 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 23.5 p -69.77 143.46 52.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.294 0.568 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.14 43.81 1.65 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.788 0.804 . . . . 0.0 109.211 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -159.37 174.5 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -86.64 127.41 60.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 121.338 -0.145 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.73 ' HD2' ' HD2' ' A' ' 31' ' ' PRO . 10.2 Cg_endo -89.76 137.79 12.61 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.524 -1.032 . . . . 0.0 112.546 -0.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 5.5 Cg_exo -80.8 117.46 3.3 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.047 2.498 . . . . 0.0 112.467 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 27' ' ' PRO . 2.9 tp -151.76 137.64 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.433 0.635 . . . . 0.0 110.507 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 93.8 m -84.1 70.2 10.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.607 -178.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.918 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.0 t80 -165.59 -63.7 0.01 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.29 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.918 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 5.4 Cg_endo -86.57 139.39 5.75 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.423 2.082 . . . . 0.0 112.174 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.65 146.8 30.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.925 0.393 . . . . 0.0 110.016 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 30' ' ' ARG . . . 79.43 -73.43 2.38 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -178.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.553 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 37.2 ptt180 172.58 146.93 0.19 Allowed Pre-proline 0 C--N 1.329 -0.309 0 C-N-CA 123.336 0.655 . . . . 0.0 109.599 178.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.73 ' HD2' ' HD2' ' A' ' 22' ' ' PRO . 72.9 Cg_endo . . . . . 0 N--CA 1.458 -0.582 0 C-N-CA 121.999 1.799 . . . . 0.0 112.148 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -159.57 142.23 13.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.319 -0.441 . . . . 0.0 110.467 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.561 ' HB3' ' HZ2' ' A' ' 3' ' ' LYS . 2.3 mmmp? 60.29 25.93 15.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.677 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 m -65.7 -42.31 91.32 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.203 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -72.9 139.86 47.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.032 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.54 124.09 13.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.933 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 m -81.6 71.68 8.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.885 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -150.19 148.77 29.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.929 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.589 HG13 ' H ' ' A' ' 10' ' ' THR . 3.2 pt -148.26 -59.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.818 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.589 ' H ' HG13 ' A' ' 9' ' ' ILE . 4.1 m -61.87 -45.89 91.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.992 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.3 pt -95.72 143.74 11.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.063 0.458 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.84 128.93 46.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.116 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -78.57 84.24 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -168.02 151.68 6.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.316 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.9 37.75 0.91 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 114.178 0.431 . . . . 0.0 114.178 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.569 ' HD2' ' HB3' ' A' ' 28' ' ' ASP . 86.5 mtm180 64.45 41.27 5.76 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 75.9 m -71.73 134.01 45.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.549 HG21 ' HB3' ' A' ' 30' ' ' ARG . 67.9 p -81.88 146.24 29.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.834 0.35 . . . . 0.0 110.809 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -110.87 43.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 m -163.33 171.38 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -78.08 126.25 83.95 Favored Pre-proline 0 C--N 1.321 -0.674 0 O-C-N 123.381 0.426 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.763 ' HA ' HD12 ' A' ' 21' ' ' ILE . 88.1 Cg_endo -91.78 137.8 9.26 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.396 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 15.7 Cg_exo -71.82 113.8 3.77 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 0.0 111.496 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.726 HD12 ' HG2' ' A' ' 27' ' ' PRO . 3.1 pt -144.32 137.83 23.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.808 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 4.0 t -109.85 73.52 0.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.808 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 29.4 t80 -165.58 -60.68 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.631 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.808 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 1.2 Cg_endo -86.24 115.48 1.39 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.353 2.035 . . . . 0.0 111.829 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.569 ' HB3' ' HD2' ' A' ' 16' ' ' ARG . 3.3 p30 -83.35 75.79 9.95 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.451 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.78 41.68 0.55 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.549 ' HB3' HG21 ' A' ' 18' ' ' THR . 21.4 tpt180 -160.73 129.21 2.97 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 22.6 Cg_exo . . . . . 0 C--N 1.346 0.41 0 C-N-CA 122.725 2.284 . . . . 0.0 112.704 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.21 -0.356 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 9' ' ' ILE . 2.1 p90 -154.85 42.79 0.47 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.938 0.875 . . . . 0.0 110.437 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -84.79 59.69 5.71 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.854 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.4 m -59.64 -38.62 81.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -171.62 115.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.164 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.2 mt 71.37 139.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 123.85 0.719 . . . . 0.0 111.413 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.4 t 67.1 121.95 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 122.023 0.916 . . . . 0.0 112.639 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.536 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 2.8 t -99.19 81.11 2.52 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.284 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' A' ' 8' ' ' THR . 41.7 mm 82.54 -47.88 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.089 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -150.1 -62.79 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.039 0.447 . . . . 0.0 110.74 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 pt -72.94 158.59 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.247 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.68 146.04 50.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -82.13 -129.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 16.0 p-10 -75.09 59.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.144 0.497 . . . . 0.0 111.612 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 16' ' ' ARG . . . -71.33 55.05 1.16 Allowed Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.869 -0.605 . . . . 0.0 114.054 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 1.8 mpp_? 72.78 141.39 0.06 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.842 0.857 . . . . 0.0 112.099 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.756 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 35.2 m -80.16 133.14 36.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.282 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p -71.7 148.6 46.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.48 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -93.55 57.4 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -154.98 179.68 8.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 11.0 tt -108.78 129.69 23.65 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.645 0.259 . . . . 0.0 111.013 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 94.4 Cg_endo -83.87 140.64 36.5 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.155 -0.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 11.9 Cg_exo -71.67 120.86 7.19 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.409 2.072 . . . . 0.0 112.075 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 tt -150.63 142.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.756 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 17.6 m -76.54 71.63 3.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.18 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 36.2 t80 -153.8 124.3 3.44 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.901 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 26' ' ' PHE . 6.1 Cg_exo -74.7 67.4 5.65 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.058 2.505 . . . . 0.0 112.496 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.5 p-10 -91.5 -142.43 0.18 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.647 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.63 41.16 0.26 Allowed Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 61.1 ttt-85 -74.6 128.24 85.95 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.514 -0.343 . . . . 0.0 110.846 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 17.6 Cg_exo . . . . . 0 C--O 1.236 0.392 0 C-N-CA 122.517 2.145 . . . . 0.0 112.214 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -72.52 130.93 41.79 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -76.06 148.7 37.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.455 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 m -62.26 -37.85 87.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.484 0.659 . . . . 0.0 109.872 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -74.86 125.59 29.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.459 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.6 tt -59.08 124.76 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.158 0.504 . . . . 0.0 111.439 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.1 m -106.93 -172.41 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.568 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 p 48.24 54.74 9.81 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.449 0.642 . . . . 0.0 111.471 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 pt -105.67 -121.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.818 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 p -68.23 -29.95 68.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.13 0.49 . . . . 0.0 110.897 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.0 pt -125.51 148.13 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.445 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -168.67 144.38 3.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.929 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.602 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 13.4 t0 -62.99 128.29 35.16 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.349 0.406 . . . . 0.0 110.217 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -71.38 -33.91 69.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.048 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.16 113.93 0.49 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.602 ' NH1' ' HB3' ' A' ' 13' ' ' ASP . 12.0 mpt_? -58.02 129.67 43.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.013 0.435 . . . . 0.0 111.311 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 7.9 m -83.51 128.82 34.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.06 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 5.3 p -67.93 149.35 49.89 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.019 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -111.05 37.73 2.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -165.91 -179.09 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.834 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 22' ' ' PRO . 6.3 tp -78.49 126.55 82.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 123.155 0.285 . . . . 0.0 110.792 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.782 ' HA ' HD12 ' A' ' 21' ' ' ILE . 10.9 Cg_endo -91.99 134.88 8.02 Favored 'Cis proline' 0 N--CA 1.459 -0.548 0 C-N-CA 124.631 -0.987 . . . . 0.0 111.833 -0.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -78.39 105.71 2.02 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.704 2.269 . . . . 0.0 112.063 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.8 tt -151.15 140.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.09 0.472 . . . . 0.0 110.431 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 60.4 m -82.06 90.36 6.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.965 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.792 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 27.1 t80 -174.11 -58.09 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.24 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 1.6 Cg_endo -82.88 130.59 5.81 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.273 1.982 . . . . 0.0 111.635 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -80.77 155.34 26.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.378 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.4 -127.46 23.61 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.349 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.45 ' N ' ' HD3' ' A' ' 31' ' ' PRO . 85.0 mtt-85 58.25 61.87 5.15 Favored Pre-proline 0 N--CA 1.467 0.397 0 C-N-CA 123.171 0.588 . . . . 0.0 111.751 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 30' ' ' ARG . 3.2 Cg_exo . . . . . 0 C--N 1.346 0.443 0 C-N-CA 122.786 2.324 . . . . 0.0 111.904 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.508 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -67.63 143.53 55.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.907 0.384 . . . . 0.0 111.026 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -163.45 135.2 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.186 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -62.52 -35.5 79.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 59.78 47.39 10.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.971 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.3 pt -60.96 133.7 26.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.233 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 p -161.64 139.8 9.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.048 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -77.64 60.75 2.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.177 0.513 . . . . 0.0 111.683 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.3 mt -69.5 -39.78 78.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.995 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.6 m 72.45 -55.0 0.68 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.951 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.0 pt -83.25 149.04 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -88.88 125.78 35.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.972 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -89.01 159.15 17.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -79.25 48.26 0.86 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.393 0.616 . . . . 0.0 110.242 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.27 -157.61 33.0 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.866 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -169.91 135.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 14.2 m -61.88 131.18 48.93 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 16.2 p -78.97 148.26 32.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.483 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -109.27 41.03 1.72 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m -161.71 175.83 11.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 50.5 mm -81.54 126.14 76.79 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 123.107 0.254 . . . . 0.0 110.553 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.545 ' HD3' ' HD2' ' A' ' 30' ' ' ARG . 64.6 Cg_endo -93.1 138.65 7.9 Favored 'Cis proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.954 -1.269 . . . . 0.0 112.631 -0.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.455 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 2.9 Cg_exo -76.98 115.76 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.647 2.231 . . . . 0.0 111.298 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.679 HD13 ' HD2' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -147.52 143.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.077 0.465 . . . . 0.0 111.248 -179.486 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 80.9 m -98.72 54.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.703 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.93 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 33.4 t80 -159.4 -64.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.531 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.93 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 5.7 Cg_exo -74.41 128.82 12.29 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.761 1.641 . . . . 0.0 111.137 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -80.74 134.28 35.8 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.35 -125.3 29.0 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.205 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.545 ' HD2' ' HD3' ' A' ' 22' ' ' PRO . 71.3 ttt180 -165.87 127.83 1.43 Allowed Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 12.4 Cg_exo . . . . . 0 C--O 1.235 0.373 0 C-N-CA 122.598 2.198 . . . . 0.0 111.948 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -61.67 119.15 8.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.265 -0.467 . . . . 0.0 110.482 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.6 tttp 55.35 66.46 1.22 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.211 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -59.43 -31.38 69.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.653 0.739 . . . . 0.0 110.096 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 p -168.08 -82.05 0.02 OUTLIER 'General case' 0 C--O 1.24 0.56 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.054 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.4 tt -96.9 136.48 27.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.444 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.0 m -156.69 125.51 5.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -79.71 62.92 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.29 0.567 . . . . 0.0 110.575 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.88 -35.65 74.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.569 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 t -166.49 -39.69 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.124 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 pt -86.31 147.11 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.603 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -86.93 147.15 25.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.386 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -71.71 156.29 39.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.141 0.496 . . . . 0.0 110.838 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -86.0 -33.01 21.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.807 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.86 44.79 2.83 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.859 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -66.54 126.67 29.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.696 0.284 . . . . 0.0 110.548 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 7.2 m -72.01 131.38 42.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.159 0.504 . . . . 0.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -69.98 146.58 50.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.753 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -110.03 40.43 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.551 0.691 . . . . 0.0 109.508 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 m -160.51 171.9 18.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 50.5 mm -75.33 125.09 89.31 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 123.01 0.194 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.533 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 31.1 Cg_endo -93.77 137.76 7.05 Favored 'Cis proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.22 -1.159 . . . . 0.0 112.316 -0.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.533 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.8 Cg_exo -74.35 105.05 1.97 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.623 2.216 . . . . 0.0 111.679 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -145.8 144.26 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.643 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 45.5 m -85.18 64.13 8.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.709 0.766 . . . . 0.0 109.74 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 64.5 t80 -125.54 136.73 28.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.484 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 69.0 Cg_exo -51.84 149.38 20.08 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.023 2.482 . . . . 0.0 112.589 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -41.55 108.81 0.1 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.093 0.871 . . . . 0.0 111.82 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.28 129.83 1.22 Allowed Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.754 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 75.5 ttt180 -171.01 130.08 0.77 Allowed Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 12.8 Cg_exo . . . . . 0 C--O 1.236 0.421 0 C-N-CA 122.686 2.257 . . . . 0.0 111.863 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -70.99 126.12 28.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.349 -0.425 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -81.57 64.35 6.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.185 0.516 . . . . 0.0 110.76 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -58.54 -40.06 81.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.797 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m 60.82 -140.15 0.55 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.498 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 tt -169.06 139.69 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 m -92.39 124.83 36.73 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -72.09 145.96 47.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.044 0.449 . . . . 0.0 110.782 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.0 mm -71.82 -37.95 63.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.318 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.6 t -174.46 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.41 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.6 pt -65.27 152.84 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.052 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -69.37 134.62 49.25 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -158.84 134.41 8.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -170.42 149.51 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.192 0.52 . . . . 0.0 111.159 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.3 58.16 0.45 Allowed Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 27.5 mtt85 -74.54 112.34 10.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.556 0.217 . . . . 0.0 110.64 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 61.5 m -77.32 131.08 37.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.167 0.508 . . . . 0.0 110.791 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.623 HG22 ' HA ' ' A' ' 28' ' ' ASP . 22.3 p -83.33 142.5 31.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.598 0.713 . . . . 0.0 111.598 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.511 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.41 43.33 1.19 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.525 178.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -161.59 164.51 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.773 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -78.28 127.53 80.84 Favored Pre-proline 0 C--N 1.321 -0.663 0 O-C-N 123.199 0.312 . . . . 0.0 110.31 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.749 ' HA ' HD12 ' A' ' 21' ' ' ILE . 19.3 Cg_endo -91.31 138.25 9.99 Favored 'Cis proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.518 -1.034 . . . . 0.0 112.243 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.492 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 Cg_exo -73.99 114.15 3.96 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.85 2.366 . . . . 0.0 112.374 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.4 HG23 ' HD2' ' A' ' 27' ' ' PRO . 2.7 tp -151.4 136.98 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.513 . . . . 0.0 109.794 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 59.4 m -86.98 81.69 8.02 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.276 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.901 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 36.5 t80 -175.82 -62.94 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.607 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.765 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 39.1 Cg_endo -96.43 75.72 0.11 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.052 2.501 . . . . 0.0 112.743 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.623 ' HA ' HG22 ' A' ' 18' ' ' THR . 3.8 t0 -62.48 143.49 57.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.261 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.35 134.18 2.73 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.504 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 24.7 mmm180 -115.45 126.98 27.2 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 122.326 -0.514 . . . . 0.0 110.508 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 12.3 Cg_exo . . . . . 0 C--O 1.233 0.248 0 C-N-CA 122.758 2.306 . . . . 0.0 112.003 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 112.035 -0.426 . . . . 0.0 112.035 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.733 ' HD1' ' HG2' ' A' ' 3' ' ' LYS . 26.6 p90 -161.25 147.43 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.733 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 19.6 pttp 44.32 46.91 7.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.875 0.87 . . . . 0.0 111.884 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -59.52 -35.56 74.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.133 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 m 59.75 37.11 22.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.14 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.3 tp -79.9 133.16 30.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.329 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.5 t -155.71 40.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.692 0.758 . . . . 0.0 109.568 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.409 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 1.1 p -146.41 139.45 25.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.945 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 8' ' ' THR . 48.9 mm 74.28 -44.88 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.036 0.534 . . . . 0.0 111.338 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 m -62.98 -38.78 92.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.214 0.53 . . . . 0.0 110.47 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 pt -102.07 149.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.081 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.521 ' CD ' HH12 ' A' ' 16' ' ' ARG . 5.0 tp10 -69.49 136.9 52.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -92.56 146.77 23.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.073 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -82.34 36.66 0.48 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.355 0.598 . . . . 0.0 110.739 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.7 -125.65 0.78 Allowed Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.521 HH12 ' CD ' ' A' ' 12' ' ' GLU . 1.3 tpt180 -178.75 116.87 0.07 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 117.13 0.465 . . . . 0.0 110.809 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 12.3 m -85.28 138.78 32.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.7 p -64.47 142.97 58.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.963 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -93.58 59.11 2.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.568 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -156.2 -156.58 0.64 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.518 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -131.58 125.28 20.5 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.176 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.87 ' HA ' HD12 ' A' ' 21' ' ' ILE . 4.2 Cg_exo -80.15 140.19 52.28 Favored 'Cis proline' 0 C--N 1.344 0.329 0 C-N-CA 123.976 -1.26 . . . . 0.0 112.334 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD3' HD12 ' A' ' 21' ' ' ILE . 6.2 Cg_exo -78.0 113.64 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.592 2.195 . . . . 0.0 111.617 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 tt -151.01 145.07 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.155 0.502 . . . . 0.0 110.66 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 61.8 m -76.33 62.21 1.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.904 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -150.6 121.59 3.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.608 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.87 114.26 3.82 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.33 2.02 . . . . 0.0 112.04 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -168.74 159.22 9.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.609 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.59 -30.16 69.0 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.412 -0.423 . . . . 0.0 113.93 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 3.5 mtm-85 -66.78 -52.49 33.05 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.667 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 42.1 Cg_exo . . . . . 0 C--N 1.352 0.75 0 C-N-CA 122.14 1.893 . . . . 0.0 112.66 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -63.26 135.36 57.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.772 0.32 . . . . 0.0 110.261 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -123.55 67.45 1.01 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -59.46 -27.42 66.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.358 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -150.7 128.26 11.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.98 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.736 HG12 ' H ' ' A' ' 8' ' ' THR . 12.9 tt -169.94 139.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.242 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.1 p -120.45 28.27 8.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.622 0.725 . . . . 0.0 110.451 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.736 ' H ' HG12 ' A' ' 6' ' ' ILE . 3.2 m -113.16 108.81 17.8 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.646 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mm -75.04 -39.21 43.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 122.039 0.923 . . . . 0.0 109.1 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.3 m -160.1 -42.51 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.5 pt -137.45 149.87 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 113.967 -1.469 . . . . 0.0 107.475 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -73.39 141.59 46.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.18 132.32 50.03 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.444 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -176.9 128.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.501 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.86 135.85 3.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.749 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 116.4 21.57 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 58.5 m -71.6 133.37 45.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.33 0.586 . . . . 0.0 111.963 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.55 HG21 ' HD3' ' A' ' 31' ' ' PRO . 50.4 p -90.69 149.21 22.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.714 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.47 43.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -162.38 167.02 24.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.1 tt -79.38 129.64 71.36 Favored Pre-proline 0 C--N 1.319 -0.753 0 O-C-N 123.305 0.378 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.663 ' HD2' ' HD2' ' A' ' 31' ' ' PRO . 2.8 Cg_endo -87.1 135.02 15.95 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.355 -1.102 . . . . 0.0 112.025 0.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 5.9 Cg_exo -77.62 113.92 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.624 2.216 . . . . 0.0 111.915 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.2 tt -151.68 139.56 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.248 0.547 . . . . 0.0 110.518 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 60.6 m -87.65 91.77 8.86 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.919 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.746 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 21.2 t80 -175.67 -58.6 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.795 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.746 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 84.8 Cg_endo -83.23 160.63 15.29 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.358 2.039 . . . . 0.0 113.668 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -85.28 138.45 32.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.364 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.33 -79.28 0.42 Allowed Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 113.524 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 15.6 ptm180 -173.05 140.47 0.92 Allowed Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 122.833 0.453 . . . . 0.0 110.132 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.674 ' HG3' ' HG3' ' A' ' 27' ' ' PRO . 16.6 Cg_exo . . . . . 0 C--O 1.235 0.349 0 C-N-CA 122.615 2.21 . . . . 0.0 111.87 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -78.11 57.93 1.91 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.337 -0.431 . . . . 0.0 110.726 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -152.01 143.23 23.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.992 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.2 m -151.64 -51.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.225 0.536 . . . . 0.0 110.024 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -76.66 66.46 2.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.651 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.7 mm -69.7 108.63 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.7 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m -160.02 148.86 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 m -68.17 87.6 0.28 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.752 0.311 . . . . 0.0 110.762 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.5 mm 72.4 -51.27 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.369 0.668 . . . . 0.0 111.234 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -157.99 -46.28 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.841 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.3 pt -141.01 156.14 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.89 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.26 133.52 50.76 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.327 0.392 . . . . 0.0 110.13 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -102.34 150.42 23.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.67 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -162.88 133.87 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.265 0.555 . . . . 0.0 110.496 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.717 ' HA2' ' HA ' ' A' ' 26' ' ' PHE . . . -175.58 41.53 0.11 Allowed Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -84.48 132.2 34.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.731 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 32.1 m -74.62 132.41 41.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.636 HG21 ' HD3' ' A' ' 31' ' ' PRO . 21.3 p -84.97 140.64 30.92 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.561 0.696 . . . . 0.0 111.716 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.902 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -100.29 37.69 1.63 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.688 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 m -161.42 165.0 29.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.06 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -75.64 127.58 85.53 Favored Pre-proline 0 C--N 1.319 -0.732 0 O-C-N 123.556 0.535 . . . . 0.0 110.607 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.527 ' HD2' ' HG2' ' A' ' 31' ' ' PRO . 7.4 Cg_endo -89.46 135.7 11.78 Favored 'Cis proline' 0 CA--C 1.532 0.384 0 C-N-CA 124.62 -0.991 . . . . 0.0 111.981 -0.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.533 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 4.0 Cg_exo -78.09 112.46 3.25 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.763 2.309 . . . . 0.0 112.455 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.1 pt -150.25 139.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.369 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.731 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 42.0 m -84.21 84.82 7.48 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.803 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 22.3 t80 -165.68 -56.98 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.451 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 90.3 Cg_endo -89.66 153.08 5.17 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.452 2.101 . . . . 0.0 113.203 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.46 136.02 34.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.978 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.52 -62.54 1.5 Allowed Glycine 0 C--O 1.238 0.369 0 CA-C-N 116.339 -0.391 . . . . 0.0 113.64 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -176.53 146.0 0.71 Allowed Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 123.199 0.6 . . . . 0.0 110.053 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.636 ' HD3' HG21 ' A' ' 18' ' ' THR . 23.7 Cg_exo . . . . . 0 C--O 1.238 0.504 0 C-N-CA 122.569 2.179 . . . . 0.0 112.005 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -70.85 143.95 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.97 0.415 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -159.7 128.39 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -62.78 -45.63 91.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.364 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m 56.49 41.89 28.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.877 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 tt -70.96 132.77 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.154 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 m -160.25 137.92 9.69 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 12' ' ' GLU . 10.7 m -60.6 118.7 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.299 0.375 . . . . 0.0 110.877 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -71.94 -45.44 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.343 0.592 . . . . 0.0 110.567 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.5 m -159.77 -49.28 0.05 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.636 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.634 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -131.59 150.63 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.143 179.184 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.559 ' HB2' HG23 ' A' ' 8' ' ' THR . 58.4 tt0 -157.18 131.88 8.7 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -121.81 160.9 23.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.013 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -157.27 32.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.285 0.564 . . . . 0.0 109.914 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.46 142.19 47.05 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.697 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 16' ' ' ARG . 3.2 mmt85 -82.16 141.89 32.67 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 39.8 m -58.95 134.22 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.216 0.532 . . . . 0.0 111.433 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p -68.85 145.27 53.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.752 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.96 38.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.534 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -159.84 172.32 17.87 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -81.7 126.75 74.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.282 0.364 . . . . 0.0 110.948 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.811 ' HA ' HD12 ' A' ' 21' ' ' ILE . 92.4 Cg_endo -89.26 136.6 12.72 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 124.07 -1.221 . . . . 0.0 112.4 -0.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.485 ' HD3' HD12 ' A' ' 21' ' ' ILE . 2.7 Cg_exo -78.98 106.71 2.12 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.849 2.366 . . . . 0.0 112.099 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.21 146.18 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 21.8 m -78.62 64.68 3.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.002 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 59.3 t80 -164.37 137.96 4.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.504 -0.771 . . . . 0.0 108.978 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.627 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 10.0 Cg_endo -53.85 138.71 69.2 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.614 2.209 . . . . 0.0 111.898 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -55.93 133.39 51.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.42 0.628 . . . . 0.0 111.786 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -170.99 43.96 0.19 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.48 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 25.1 ptt-85 -60.88 134.93 92.69 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.227 -0.487 . . . . 0.0 111.044 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 15.5 Cg_exo . . . . . 0 C--O 1.234 0.294 0 C-N-CA 122.631 2.221 . . . . 0.0 111.986 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -156.11 133.82 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 80.8 tttt 54.74 38.76 30.68 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.879 0.737 . . . . 0.0 111.357 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -79.64 -27.29 40.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 p 48.45 48.05 19.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.792 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.8 mm -76.64 131.18 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.229 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 t -78.04 53.03 1.13 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.132 0.492 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -156.92 136.22 12.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.77 -47.42 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.013 0.435 . . . . 0.0 110.538 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.65 -63.79 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.756 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.429 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -143.71 156.53 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.184 178.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -159.9 144.96 15.16 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -73.54 142.4 46.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.254 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.51 -34.62 71.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.126 0.489 . . . . 0.0 110.507 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.22 -119.23 1.5 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.66 144.07 1.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.808 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.1 m -67.1 135.27 53.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 0.0 111.078 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.739 HG22 ' HA ' ' A' ' 28' ' ' ASP . 17.9 p -64.0 146.05 54.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -98.45 37.16 1.5 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.2 179.458 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -161.21 174.91 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.453 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -85.0 129.77 54.89 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 123.17 0.294 . . . . 0.0 110.694 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 71.9 Cg_endo -87.82 135.87 15.18 Favored 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.744 -1.357 . . . . 0.0 112.079 -0.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 10.3 Cg_exo -75.59 106.53 2.29 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.685 2.257 . . . . 0.0 112.164 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 tp -151.09 146.84 15.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.389 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.808 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 9.2 m -69.09 103.77 1.96 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.089 0.947 . . . . 0.0 110.13 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 49.6 t80 -178.34 144.06 0.47 Allowed Pre-proline 0 N--CA 1.444 -0.728 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.652 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 2.6 Cg_endo -41.53 121.99 1.73 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.913 2.408 . . . . 0.0 112.236 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.739 ' HA ' HG22 ' A' ' 18' ' ' THR . 8.6 t70 -61.16 108.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.869 -178.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.19 139.7 2.72 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.862 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.623 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . 3.6 tpm_? -153.3 -54.04 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.977 0.389 . . . . 0.0 111.595 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 30' ' ' ARG . 20.4 Cg_exo . . . . . 0 C--N 1.353 0.815 0 C-N-CA 121.89 1.727 . . . . 0.0 112.079 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 112.192 -0.363 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.11 151.83 34.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.375 . . . . 0.0 111.444 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HE3' ' HB2' ' A' ' 3' ' ' LYS . 17.7 ptmt -76.99 81.25 3.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 111.402 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m 77.26 -35.41 0.22 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.474 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p -175.53 -43.76 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.545 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.454 ' HB ' ' HG3' ' A' ' 3' ' ' LYS . 34.0 mm -63.06 135.65 27.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.007 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.4 t -143.78 158.07 43.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 p 54.72 52.77 11.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.839 0.828 . . . . 0.0 110.371 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -67.58 -43.0 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.604 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.0 m -160.37 -48.34 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.101 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 12' ' ' GLU . 2.7 mm -92.49 169.75 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.502 ' H ' HG22 ' A' ' 11' ' ' ILE . 11.3 tp10 -78.89 66.34 4.32 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.56 128.84 37.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.503 0.668 . . . . 0.0 110.322 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB3' ' HB2' ' A' ' 25' ' ' CYS . 10.9 m120 -73.28 141.75 47.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.206 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.02 -138.33 5.99 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.71 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HD2' ' OD2' ' A' ' 28' ' ' ASP . 99.3 mtt180 -72.24 135.78 46.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.685 0.278 . . . . 0.0 111.525 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 34.3 m -90.37 133.76 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.034 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -81.43 144.03 31.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.154 0.502 . . . . 0.0 111.584 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -106.51 40.63 1.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.745 0.783 . . . . 0.0 108.964 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -160.09 178.6 9.52 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 12.9 tt -86.19 129.07 55.13 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 120.688 0.28 . . . . 0.0 111.378 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.515 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 83.2 Cg_endo -89.39 137.14 12.87 Favored 'Cis proline' 0 C--N 1.346 0.435 0 C-N-CA 123.797 -1.334 . . . . 0.0 112.205 -0.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.4 Cg_exo -75.85 97.99 1.15 Allowed 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.72 2.28 . . . . 0.0 111.95 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.45 ' HB ' ' CD ' ' A' ' 27' ' ' PRO . 9.7 mt -142.1 140.99 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.939 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 33.9 m -84.97 66.21 9.63 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.987 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 30.2 t80 -166.44 -56.82 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.86 -179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 74.6 Cg_endo -78.12 72.05 6.4 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.902 1.735 . . . . 0.0 112.719 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.522 ' OD2' ' HD2' ' A' ' 16' ' ' ARG . 47.3 t0 -62.39 165.69 5.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.147 0.499 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.87 34.25 39.07 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.654 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 27' ' ' PRO . 12.0 mmt180 -126.58 73.08 74.22 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.536 0.207 . . . . 0.0 110.579 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo . . . . . 0 C--N 1.344 0.328 0 C-N-CA 122.758 2.305 . . . . 0.0 112.033 -179.766 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.304 -0.319 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -76.93 63.33 2.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.225 0.536 . . . . 0.0 110.666 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -76.97 123.43 26.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.419 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -65.42 -41.11 93.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 70.46 -57.32 0.58 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.522 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.23 124.62 21.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.398 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -135.22 129.34 33.53 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.3 p -80.15 53.37 1.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.573 0.702 . . . . 0.0 111.942 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -73.1 -41.75 59.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.63 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.8 p -130.72 -47.62 1.05 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.327 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.651 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 44.3 pt -77.78 145.75 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.044 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 179.7 138.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -82.74 166.4 19.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 111.782 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.67 36.75 19.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.29 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.34 -169.57 41.12 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.202 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 68.06 135.14 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.71 0.766 . . . . 0.0 111.588 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 38.5 m -82.77 137.92 34.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.877 HG21 ' HD3' ' A' ' 31' ' ' PRO . 63.7 p -73.54 153.96 40.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.88 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 8.6 mptt -114.23 39.71 2.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.032 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 m -165.43 172.58 12.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.5 mm -79.17 128.19 76.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 O-C-N 123.411 0.445 . . . . 0.0 110.199 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.602 ' HD2' ' HD2' ' A' ' 31' ' ' PRO . 7.8 Cg_endo -90.14 136.01 10.89 Favored 'Cis proline' 0 N--CA 1.461 -0.412 0 C-N-CA 124.439 -1.067 . . . . 0.0 112.041 -0.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.649 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.9 Cg_exo -75.36 112.69 3.59 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.732 2.288 . . . . 0.0 111.971 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.99 140.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 0.0 110.302 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 18.9 m -88.45 85.2 6.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.315 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.724 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.1 t80 -170.21 -55.86 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.115 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.831 ' HG2' ' HG3' ' A' ' 31' ' ' PRO . 1.4 Cg_endo -85.19 139.33 7.05 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.548 2.165 . . . . 0.0 110.743 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.651 ' OD2' ' HB ' ' A' ' 11' ' ' ILE . 40.7 t0 -74.4 140.48 44.76 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.274 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.46 -74.93 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.423 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 6.7 ptm180 -174.02 143.89 0.96 Allowed Pre-proline 0 C--N 1.327 -0.402 0 C-N-CA 123.068 0.547 . . . . 0.0 110.134 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.877 ' HD3' HG21 ' A' ' 18' ' ' THR . 24.5 Cg_exo . . . . . 0 C--O 1.238 0.501 0 C-N-CA 122.512 2.141 . . . . 0.0 112.069 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.212 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -65.73 127.69 32.97 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -145.56 53.37 1.18 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 m -62.54 -39.59 94.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.449 0.642 . . . . 0.0 110.479 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -82.95 130.2 35.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.649 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.2 pt -63.09 129.36 26.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.969 0.414 . . . . 0.0 111.266 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.4 p -72.66 129.49 38.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.541 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 t -159.12 144.94 16.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.079 0.466 . . . . 0.0 110.697 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.8 mt -72.78 -24.77 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.157 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.7 m 77.23 -47.69 0.51 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.431 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 12' ' ' GLU . 2.3 mm -95.05 166.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' H ' HG22 ' A' ' 11' ' ' ILE . 31.5 tt0 -161.33 137.37 8.1 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -75.01 136.59 41.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.703 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 56.17 33.95 23.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.813 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.681 ' HA2' ' HA ' ' A' ' 26' ' ' PHE . . . -169.36 26.08 0.11 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.998 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -83.01 132.07 35.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.62 -0.341 . . . . 0.0 110.102 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 34.8 m -71.19 135.0 47.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.052 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 12.0 p -83.97 146.57 27.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.143 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -107.62 40.46 1.7 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.694 0.759 . . . . 0.0 109.552 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 m -159.84 175.31 13.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.789 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 48.2 mm -83.69 127.31 68.28 Favored Pre-proline 0 C--N 1.321 -0.636 0 O-C-N 123.254 0.346 . . . . 0.0 110.316 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 16.1 Cg_endo -90.97 137.07 9.96 Favored 'Cis proline' 0 N--CA 1.46 -0.488 0 C-N-CA 124.159 -1.184 . . . . 0.0 112.255 -0.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.442 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 4.8 Cg_exo -76.96 110.01 2.95 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.643 2.229 . . . . 0.0 111.857 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tp -150.97 137.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.391 0.615 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 24.7 m -86.55 82.45 7.91 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.004 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.853 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 34.0 t80 -168.23 -60.51 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.05 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.853 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 32.3 Cg_endo -91.02 128.03 1.24 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.006 1.804 . . . . 0.0 112.146 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -81.2 142.99 32.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.23 -122.3 6.45 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.621 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 40.0 ptt180 -173.25 138.28 0.79 Allowed Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 21.5 Cg_exo . . . . . 0 C--O 1.233 0.246 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.718 0.771 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.83 47.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.4 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -169.85 -158.62 0.18 Allowed 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -99.46 127.32 34.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 87.3 Cg_endo -89.24 138.58 14.23 Favored 'Cis proline' 0 C--N 1.345 0.38 0 C-N-CA 123.832 -1.32 . . . . 0.0 112.195 -0.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 9.6 Cg_exo -74.19 96.99 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.521 2.147 . . . . 0.0 111.897 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 tt -151.35 148.38 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.6 m . . . . . 0 C--N 1.317 -0.84 0 CA-C-O 121.728 0.775 . . . . 0.0 110.387 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.278 0.561 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -106.35 42.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -161.18 173.37 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.2 mm -81.51 127.15 74.23 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 123.296 0.372 . . . . 0.0 110.61 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 83.5 Cg_endo -90.22 137.24 11.41 Favored 'Cis proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.304 -0.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 9.3 Cg_exo -74.97 111.13 3.25 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.648 2.232 . . . . 0.0 111.957 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.5 tp -150.76 143.19 16.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.344 0.592 . . . . 0.0 109.925 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.278 -178.818 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 121.265 0.555 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -103.31 40.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.781 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 m -159.93 174.99 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 22' ' ' PRO . 6.0 tp -84.55 126.64 68.42 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.647 0.261 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.781 ' HA ' HD12 ' A' ' 21' ' ' ILE . 25.6 Cg_endo -91.78 138.64 9.54 Favored 'Cis proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.23 -0.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.1 Cg_exo -74.96 103.95 1.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.677 2.252 . . . . 0.0 111.582 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 mt -136.88 140.42 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.605 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.509 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 60.3 p . . . . . 0 N--CA 1.443 -0.785 0 CA-C-O 121.771 0.796 . . . . 0.0 112.685 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 41.42 1.27 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.542 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m -163.62 169.27 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -83.75 129.75 58.25 Favored Pre-proline 0 C--N 1.319 -0.729 0 O-C-N 123.384 0.428 . . . . 0.0 110.391 179.668 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 98.1 Cg_endo -87.21 136.33 16.9 Favored 'Cis proline' 0 C--O 1.237 0.457 0 C-N-CA 123.962 -1.266 . . . . 0.0 112.476 -0.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.509 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.9 Cg_exo -74.5 111.34 3.29 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.82 2.346 . . . . 0.0 112.123 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.7 tp -151.08 143.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.348 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 C--N 1.315 -0.907 0 CA-C-O 122.063 0.935 . . . . 0.0 111.382 -178.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 121.203 0.525 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -111.34 51.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.376 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -163.63 -157.79 0.43 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.825 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.7 tp -103.42 121.44 48.53 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.673 ' HA ' HD12 ' A' ' 21' ' ' ILE . 96.7 Cg_endo -92.52 144.65 11.3 Favored 'Cis proline' 0 N--CA 1.46 -0.476 0 C-N-CA 124.073 -1.22 . . . . 0.0 112.546 -0.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.535 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -76.77 90.92 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.181 2.587 . . . . 0.0 112.159 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 tp -151.54 141.42 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.217 0.532 . . . . 0.0 110.322 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.315 -0.909 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.501 -179.407 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.518 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 23.5 p . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 121.294 0.568 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.14 43.81 1.65 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.788 0.804 . . . . 0.0 109.211 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -159.37 174.5 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -86.64 127.41 60.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 121.338 -0.145 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 10.2 Cg_endo -89.76 137.79 12.61 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.524 -1.032 . . . . 0.0 112.546 -0.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 5.5 Cg_exo -80.8 117.46 3.3 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.047 2.498 . . . . 0.0 112.467 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.9 tp -151.76 137.64 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.433 0.635 . . . . 0.0 110.507 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.607 -178.65 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.834 0.35 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -110.87 43.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 m -163.33 171.38 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -78.08 126.25 83.95 Favored Pre-proline 0 C--N 1.321 -0.674 0 O-C-N 123.381 0.426 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.763 ' HA ' HD12 ' A' ' 21' ' ' ILE . 88.1 Cg_endo -91.78 137.8 9.26 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.396 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 15.7 Cg_exo -71.82 113.8 3.77 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 0.0 111.496 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 pt -144.32 137.83 23.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.808 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.319 -0.738 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 -179.231 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.166 0.507 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -93.55 57.4 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -154.98 179.68 8.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 11.0 tt -108.78 129.69 23.65 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.645 0.259 . . . . 0.0 111.013 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 94.4 Cg_endo -83.87 140.64 36.5 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.155 -0.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 11.9 Cg_exo -71.67 120.86 7.19 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.409 2.072 . . . . 0.0 112.075 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 tt -150.63 142.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.18 -179.312 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 5.3 p . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -111.05 37.73 2.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -165.91 -179.09 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.834 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 22' ' ' PRO . 6.3 tp -78.49 126.55 82.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 123.155 0.285 . . . . 0.0 110.792 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.782 ' HA ' HD12 ' A' ' 21' ' ' ILE . 10.9 Cg_endo -91.99 134.88 8.02 Favored 'Cis proline' 0 N--CA 1.459 -0.548 0 C-N-CA 124.631 -0.987 . . . . 0.0 111.833 -0.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -78.39 105.71 2.02 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.704 2.269 . . . . 0.0 112.063 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.8 tt -151.15 140.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.09 0.472 . . . . 0.0 110.431 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.965 -179.348 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 16.2 p . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.0 111.483 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -109.27 41.03 1.72 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m -161.71 175.83 11.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 50.5 mm -81.54 126.14 76.79 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 123.107 0.254 . . . . 0.0 110.553 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 64.6 Cg_endo -93.1 138.65 7.9 Favored 'Cis proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.954 -1.269 . . . . 0.0 112.631 -0.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.455 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 2.9 Cg_exo -76.98 115.76 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.647 2.231 . . . . 0.0 111.298 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.52 143.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.077 0.465 . . . . 0.0 111.248 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 80.9 m . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.703 -179.433 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.215 0.531 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -110.03 40.43 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.551 0.691 . . . . 0.0 109.508 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 m -160.51 171.9 18.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 50.5 mm -75.33 125.09 89.31 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 123.01 0.194 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.533 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 31.1 Cg_endo -93.77 137.76 7.05 Favored 'Cis proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.22 -1.159 . . . . 0.0 112.316 -0.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.533 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.8 Cg_exo -74.35 105.05 1.97 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.623 2.216 . . . . 0.0 111.679 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -145.8 144.26 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.643 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 m . . . . . 0 C--N 1.322 -0.622 0 CA-C-O 121.709 0.766 . . . . 0.0 109.74 179.321 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 22.3 p . . . . . 0 N--CA 1.446 -0.626 0 CA-C-O 121.598 0.713 . . . . 0.0 111.598 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.41 43.33 1.19 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.525 178.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -161.59 164.51 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.773 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -78.28 127.53 80.84 Favored Pre-proline 0 C--N 1.321 -0.663 0 O-C-N 123.199 0.312 . . . . 0.0 110.31 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.749 ' HA ' HD12 ' A' ' 21' ' ' ILE . 19.3 Cg_endo -91.31 138.25 9.99 Favored 'Cis proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.518 -1.034 . . . . 0.0 112.243 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.492 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 Cg_exo -73.99 114.15 3.96 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.85 2.366 . . . . 0.0 112.374 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 tp -151.4 136.98 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.513 . . . . 0.0 109.794 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.276 -178.439 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.45 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -93.58 59.11 2.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.568 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -156.2 -156.58 0.64 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.518 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -131.58 125.28 20.5 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.176 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.87 ' HA ' HD12 ' A' ' 21' ' ' ILE . 4.2 Cg_exo -80.15 140.19 52.28 Favored 'Cis proline' 0 C--N 1.344 0.329 0 C-N-CA 123.976 -1.26 . . . . 0.0 112.334 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD3' HD12 ' A' ' 21' ' ' ILE . 6.2 Cg_exo -78.0 113.64 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.592 2.195 . . . . 0.0 111.617 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 tt -151.01 145.07 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.155 0.502 . . . . 0.0 110.66 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.904 -179.399 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.429 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 50.4 p . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.819 0.343 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.47 43.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -162.38 167.02 24.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.1 tt -79.38 129.64 71.36 Favored Pre-proline 0 C--N 1.319 -0.753 0 O-C-N 123.305 0.378 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -87.1 135.02 15.95 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.355 -1.102 . . . . 0.0 112.025 0.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 5.9 Cg_exo -77.62 113.92 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.624 2.216 . . . . 0.0 111.915 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.2 tt -151.68 139.56 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.248 0.547 . . . . 0.0 110.518 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.315 -0.908 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.919 -179.467 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 21.3 p . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 121.561 0.696 . . . . 0.0 111.716 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.902 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -100.29 37.69 1.63 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.688 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 m -161.42 165.0 29.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.06 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -75.64 127.58 85.53 Favored Pre-proline 0 C--N 1.319 -0.732 0 O-C-N 123.556 0.535 . . . . 0.0 110.607 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 7.4 Cg_endo -89.46 135.7 11.78 Favored 'Cis proline' 0 CA--C 1.532 0.384 0 C-N-CA 124.62 -0.991 . . . . 0.0 111.981 -0.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.533 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 4.0 Cg_exo -78.09 112.46 3.25 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.763 2.309 . . . . 0.0 112.455 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.1 pt -150.25 139.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.369 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.0 m . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.446 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 121.236 0.541 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.96 38.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.534 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -159.84 172.32 17.87 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -81.7 126.75 74.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.282 0.364 . . . . 0.0 110.948 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.811 ' HA ' HD12 ' A' ' 21' ' ' ILE . 92.4 Cg_endo -89.26 136.6 12.72 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 124.07 -1.221 . . . . 0.0 112.4 -0.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.485 ' HD3' HD12 ' A' ' 21' ' ' ILE . 2.7 Cg_exo -78.98 106.71 2.12 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.849 2.366 . . . . 0.0 112.099 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.21 146.18 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.002 179.48 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 17.9 p . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 121.408 0.623 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -98.45 37.16 1.5 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.2 179.458 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -161.21 174.91 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.453 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -85.0 129.77 54.89 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 123.17 0.294 . . . . 0.0 110.694 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 71.9 Cg_endo -87.82 135.87 15.18 Favored 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.744 -1.357 . . . . 0.0 112.079 -0.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 10.3 Cg_exo -75.59 106.53 2.29 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.685 2.257 . . . . 0.0 112.164 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 tp -151.09 146.84 15.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.389 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.32 -0.678 0 CA-C-O 122.089 0.947 . . . . 0.0 110.13 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 121.154 0.502 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -106.51 40.63 1.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.745 0.783 . . . . 0.0 108.964 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -160.09 178.6 9.52 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 12.9 tt -86.19 129.07 55.13 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 120.688 0.28 . . . . 0.0 111.378 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.515 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 83.2 Cg_endo -89.39 137.14 12.87 Favored 'Cis proline' 0 C--N 1.346 0.435 0 C-N-CA 123.797 -1.334 . . . . 0.0 112.205 -0.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.4 Cg_exo -75.85 97.99 1.15 Allowed 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.72 2.28 . . . . 0.0 111.95 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.7 mt -142.1 140.99 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.939 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.987 178.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.649 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 63.7 p . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.74 0.305 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 8.6 mptt -114.23 39.71 2.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.032 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 m -165.43 172.58 12.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.5 mm -79.17 128.19 76.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 O-C-N 123.411 0.445 . . . . 0.0 110.199 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 7.8 Cg_endo -90.14 136.01 10.89 Favored 'Cis proline' 0 N--CA 1.461 -0.412 0 C-N-CA 124.439 -1.067 . . . . 0.0 112.041 -0.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.649 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.9 Cg_exo -75.36 112.69 3.59 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.732 2.288 . . . . 0.0 111.971 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.99 140.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 0.0 110.302 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.315 -179.018 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 12.0 p . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 121.077 0.465 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -107.62 40.46 1.7 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.694 0.759 . . . . 0.0 109.552 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 m -159.84 175.31 13.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.789 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 48.2 mm -83.69 127.31 68.28 Favored Pre-proline 0 C--N 1.321 -0.636 0 O-C-N 123.254 0.346 . . . . 0.0 110.316 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 16.1 Cg_endo -90.97 137.07 9.96 Favored 'Cis proline' 0 N--CA 1.46 -0.488 0 C-N-CA 124.159 -1.184 . . . . 0.0 112.255 -0.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.442 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 4.8 Cg_exo -76.96 110.01 2.95 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.643 2.229 . . . . 0.0 111.857 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tp -150.97 137.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.391 0.615 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.7 m . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.004 -179.182 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -71.46 121.49 18.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.373 -0.413 . . . . 0.0 110.17 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 3' ' ' LYS . 53.0 mtpt -80.88 128.68 33.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -68.5 -38.54 81.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.541 0.686 . . . . 0.0 109.774 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -75.78 132.73 40.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.235 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.14 144.58 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.111 0.481 . . . . 0.0 110.766 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.2 m -148.04 83.16 1.51 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.014 0.435 . . . . 0.0 110.095 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 m -72.17 70.83 0.83 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.41 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.38 -31.79 55.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.586 0.708 . . . . 0.0 110.164 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -151.48 -46.42 0.11 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.335 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 pt -127.63 151.1 34.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.434 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.11 120.78 31.58 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.619 ' HA ' ' NH1' ' A' ' 16' ' ' ARG . 35.0 t70 -169.36 145.85 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.529 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -175.43 129.74 0.27 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.21 -120.71 16.42 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.281 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.619 ' NH1' ' HA ' ' A' ' 13' ' ' ASP . 96.3 mtt180 57.6 -148.81 0.48 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.882 0.373 . . . . 0.0 111.375 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.718 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 9.3 m -119.09 133.87 55.54 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.821 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.417 HG21 ' O ' ' A' ' 28' ' ' ASP . 19.2 p -64.19 145.78 55.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.718 0.771 . . . . 0.0 112.902 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.83 47.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.4 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -169.85 -158.62 0.18 Allowed 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -99.46 127.32 34.67 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.928 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.535 ' HD3' ' HG2' ' A' ' 30' ' ' ARG . 87.3 Cg_endo -89.24 138.58 14.23 Favored 'Cis proline' 0 C--N 1.345 0.38 0 C-N-CA 123.832 -1.32 . . . . 0.0 112.195 -0.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 9.6 Cg_exo -74.19 96.99 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.521 2.147 . . . . 0.0 111.897 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 tt -151.35 148.38 14.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.718 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 62.6 m -79.1 62.76 3.58 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.728 0.775 . . . . 0.0 110.387 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.597 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 47.9 t80 -148.98 138.38 12.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.226 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.597 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 38.8 Cg_endo -66.81 68.54 0.53 Allowed 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.934 2.422 . . . . 0.0 113.468 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' HG21 ' A' ' 18' ' ' THR . 12.1 t70 -156.57 135.62 11.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.118 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.458 ' HA2' ' HD2' ' A' ' 22' ' ' PRO . . . -157.39 147.53 15.82 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.86 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HG2' ' HD3' ' A' ' 22' ' ' PRO . 43.8 mmt-85 -89.05 128.89 50.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 14.6 Cg_exo . . . . . 0 C--O 1.233 0.227 0 C-N-CA 122.452 2.102 . . . . 0.0 112.042 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.5 128.1 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.675 0.274 . . . . 0.0 110.324 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -69.58 93.37 0.69 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 m -66.03 -32.11 73.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.806 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -73.35 61.94 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.519 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.2 118.0 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 m -109.43 46.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.052 0.453 . . . . 0.0 110.516 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.529 HG22 HG13 ' A' ' 9' ' ' ILE . 16.2 m -156.56 123.6 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.265 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.529 HG13 HG22 ' A' ' 8' ' ' THR . 77.2 mt 72.27 -45.72 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 123.691 0.619 . . . . 0.0 111.924 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 p -62.58 -41.47 98.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.528 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.8 pt -106.35 146.96 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -75.72 144.24 41.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.578 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.486 ' OD1' ' HD3' ' A' ' 16' ' ' ARG . 37.9 t70 -158.63 132.14 7.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.149 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -82.71 39.62 0.63 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.6 49.25 57.11 Favored Glycine 0 C--O 1.241 0.534 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.459 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HD3' ' OD1' ' A' ' 13' ' ' ASP . 18.1 mtp-105 -80.56 34.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.235 0.541 . . . . 0.0 111.307 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 7.3 m -71.45 141.42 50.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.027 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p -53.29 142.46 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.278 0.561 . . . . 0.0 112.011 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -106.35 42.65 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.361 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.3 m -161.18 173.37 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.2 mm -81.51 127.15 74.23 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 123.296 0.372 . . . . 0.0 110.61 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 83.5 Cg_endo -90.22 137.24 11.41 Favored 'Cis proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.304 -0.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 9.3 Cg_exo -74.97 111.13 3.25 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.648 2.232 . . . . 0.0 111.957 -179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.5 tp -150.76 143.19 16.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.344 0.592 . . . . 0.0 109.925 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 39.6 m -79.23 60.61 3.11 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.278 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -156.56 124.66 2.85 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.175 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.91 124.02 11.37 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.478 2.119 . . . . 0.0 111.856 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -160.39 156.03 25.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.546 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.82 66.95 1.38 Allowed Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 114.064 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.684 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 14.2 mmt180 -115.79 -54.56 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.496 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.684 ' HD3' ' HB2' ' A' ' 30' ' ' ARG . 17.7 Cg_exo . . . . . 0 C--N 1.354 0.818 0 C-N-CA 121.853 1.702 . . . . 0.0 111.994 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -73.06 125.6 28.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.661 0.267 . . . . 0.0 110.341 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -81.2 50.33 1.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.234 0.54 . . . . 0.0 110.783 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.3 m -69.17 -28.48 66.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.594 0.711 . . . . 0.0 109.852 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 m -156.67 -46.45 0.07 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.29 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.1 pt -75.25 128.16 36.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.486 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.7 m -92.83 50.46 1.57 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.6 m -76.93 58.72 1.52 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.425 0.631 . . . . 0.0 111.087 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.496 HG13 ' H ' ' A' ' 10' ' ' THR . 2.7 pt -69.62 -53.21 25.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.496 ' H ' HG13 ' A' ' 9' ' ' ILE . 20.9 m 73.65 -50.5 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.317 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.6 pt -120.3 151.69 23.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.425 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.44 138.86 39.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.606 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -160.7 122.94 3.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.015 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -165.1 139.19 4.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.012 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.05 -63.82 2.8 Favored Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HD2' ' CG ' ' A' ' 28' ' ' ASP . 29.6 ttm180 63.31 119.28 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.846 0.858 . . . . 0.0 112.372 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 6.1 m -84.87 131.44 34.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.584 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' A' ' 28' ' ' ASP . 6.9 p -71.53 146.02 48.76 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.744 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -103.31 40.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.781 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 m -159.93 174.99 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 22' ' ' PRO . 6.0 tp -84.55 126.64 68.42 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 120.647 0.261 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.781 ' HA ' HD12 ' A' ' 21' ' ' ILE . 25.6 Cg_endo -91.78 138.64 9.54 Favored 'Cis proline' 0 N--CA 1.457 -0.643 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.23 -0.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.1 Cg_exo -74.96 103.95 1.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.677 2.252 . . . . 0.0 111.582 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 mt -136.88 140.42 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 21.6 m -88.03 64.75 7.93 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.605 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.721 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 22.0 t80 -167.47 -57.5 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.823 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 18.0 Cg_endo -91.71 69.32 0.98 Allowed 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.379 2.053 . . . . 0.0 112.487 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.51 ' CG ' ' HD2' ' A' ' 16' ' ' ARG . 25.9 t70 -63.61 170.39 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.172 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.24 40.35 29.18 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.142 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -89.23 130.01 45.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 16.9 Cg_exo . . . . . 0 C--O 1.234 0.28 0 C-N-CA 122.5 2.134 . . . . 0.0 111.999 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -77.15 58.85 1.64 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.103 0.478 . . . . 0.0 111.365 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -77.33 64.05 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.561 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.7 m -59.56 -40.41 87.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.412 0.625 . . . . 0.0 110.553 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -79.67 101.02 8.14 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.886 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.41 117.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.59 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 p -166.88 119.68 0.98 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.1 m -89.63 119.68 30.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.57 -46.53 69.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.817 0.817 . . . . 0.0 110.286 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.0 m -156.92 -47.99 0.07 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.51 ' H ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -141.67 144.97 25.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 176.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -95.93 145.89 25.03 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.79 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -63.81 143.16 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.289 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -65.67 131.99 47.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.466 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.32 110.59 2.58 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.291 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -70.38 124.39 24.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.85 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.6 m -67.05 131.93 46.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.476 0.655 . . . . 0.0 110.024 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.509 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 60.3 p -79.25 143.17 35.55 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.685 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 41.42 1.27 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.542 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.9 m -163.62 169.27 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -83.75 129.75 58.25 Favored Pre-proline 0 C--N 1.319 -0.729 0 O-C-N 123.384 0.428 . . . . 0.0 110.391 179.668 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 98.1 Cg_endo -87.21 136.33 16.9 Favored 'Cis proline' 0 C--O 1.237 0.457 0 C-N-CA 123.962 -1.266 . . . . 0.0 112.476 -0.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.509 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.9 Cg_exo -74.5 111.34 3.29 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.82 2.346 . . . . 0.0 112.123 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.7 tp -151.08 143.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.348 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.85 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 62.7 m -77.74 78.43 4.24 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.063 0.935 . . . . 0.0 111.382 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 38.1 t80 -169.15 127.34 0.87 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 113.579 -1.646 . . . . 0.0 107.19 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 26' ' ' PHE . 11.3 Cg_exo -34.57 123.72 0.18 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 124.232 3.288 . . . . 0.0 113.349 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 14.6 p-10 -74.45 65.17 1.22 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.54 0.23 82.79 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.013 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.726 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 15.0 mtm-85 -96.26 -54.71 0.21 Allowed Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.42 -0.39 . . . . 0.0 111.162 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.726 ' HD3' ' HB2' ' A' ' 30' ' ' ARG . 20.8 Cg_exo . . . . . 0 C--N 1.359 1.086 0 C-N-CA 122.096 1.864 . . . . 0.0 112.317 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.571 0 N-CA-C 112.087 -0.405 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -80.21 63.89 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.685 0.278 . . . . 0.0 110.706 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.9 mttm 59.82 38.88 21.18 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.431 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 m -69.24 -30.59 68.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -163.0 138.54 6.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.64 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.6 tt -80.92 133.93 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 m 55.74 40.44 30.8 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.176 0.513 . . . . 0.0 111.664 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -90.06 43.28 1.14 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.834 0.825 . . . . 0.0 110.429 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.0 mm 70.19 -53.73 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.262 -1.335 . . . . 0.0 112.336 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.9 p -76.38 -47.09 24.54 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.3 pt -122.91 151.63 27.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.246 0.546 . . . . 0.0 112.127 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -156.25 151.58 26.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.351 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.493 ' HB3' ' H ' ' A' ' 14' ' ' ASN . 42.7 m-20 -78.22 -133.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.179 0.514 . . . . 0.0 111.955 -178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.493 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 p30 -115.12 168.27 10.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.414 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.04 31.14 21.1 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.011 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -79.21 133.09 36.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 35.5 m -66.71 130.29 42.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.195 0.522 . . . . 0.0 110.958 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.412 HG21 ' HB3' ' A' ' 30' ' ' ARG . 18.9 p -85.07 147.2 26.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.364 -0.834 . . . . 0.0 112.311 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -111.34 51.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.376 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -163.63 -157.79 0.43 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.825 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.7 tp -103.42 121.44 48.53 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.673 ' HA ' HD12 ' A' ' 21' ' ' ILE . 96.7 Cg_endo -92.52 144.65 11.3 Favored 'Cis proline' 0 N--CA 1.46 -0.476 0 C-N-CA 124.073 -1.22 . . . . 0.0 112.546 -0.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.535 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -76.77 90.92 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.181 2.587 . . . . 0.0 112.159 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 3.5 tp -151.54 141.42 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.217 0.532 . . . . 0.0 110.322 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.608 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 3.3 m -80.75 76.93 7.64 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.501 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' H ' ' HD2' ' A' ' 27' ' ' PRO . 28.1 t80 -165.75 -52.88 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.556 ' HD2' ' H ' ' A' ' 26' ' ' PHE . 71.8 Cg_endo -74.66 73.17 4.2 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.988 1.792 . . . . 0.0 112.532 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -57.64 135.06 56.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.908 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.28 26.89 62.8 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.626 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 27.8 tpt180 -76.88 118.66 73.3 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.411 0.148 . . . . 0.0 110.637 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 9.7 Cg_exo . . . . . 0 C--O 1.235 0.366 0 C-N-CA 122.655 2.237 . . . . 0.0 111.901 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.215 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -63.83 136.37 57.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.735 0.302 . . . . 0.0 110.342 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -140.0 135.19 32.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -64.09 -41.05 97.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.171 0.51 . . . . 0.0 110.692 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 m -79.89 51.39 1.32 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.937 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.402 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 tt -80.16 118.04 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.862 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . 46.7 m -80.84 44.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -178.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -172.42 54.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.6 1.19 . . . . 0.0 110.167 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.402 HG12 HG23 ' A' ' 6' ' ' ILE . 58.2 mt -72.0 -44.39 66.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.238 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.4 p -128.27 -40.15 1.66 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.829 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.7 pt -133.67 150.92 32.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.219 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -69.73 129.34 39.34 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 123.485 0.491 . . . . 0.0 110.558 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.862 ' HB3' ' HB3' ' A' ' 7' ' ' SER . 12.4 t70 -82.88 144.49 30.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.188 0.518 . . . . 0.0 110.904 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -84.77 43.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.407 0.622 . . . . 0.0 110.436 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 17' ' ' CYS . . . -64.15 162.48 35.92 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.892 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -73.4 38.03 0.09 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.379 0.609 . . . . 0.0 111.265 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 40.5 m -101.16 137.0 40.1 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.518 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 23.5 p -69.77 143.46 52.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.294 0.568 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -113.14 43.81 1.65 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.788 0.804 . . . . 0.0 109.211 179.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -159.37 174.5 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -86.64 127.41 60.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 121.338 -0.145 . . . . 0.0 111.19 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.73 ' HD2' ' HD2' ' A' ' 31' ' ' PRO . 10.2 Cg_endo -89.76 137.79 12.61 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.524 -1.032 . . . . 0.0 112.546 -0.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 5.5 Cg_exo -80.8 117.46 3.3 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 123.047 2.498 . . . . 0.0 112.467 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 27' ' ' PRO . 2.9 tp -151.76 137.64 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.433 0.635 . . . . 0.0 110.507 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 93.8 m -84.1 70.2 10.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.607 -178.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.918 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.0 t80 -165.59 -63.7 0.01 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.29 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.918 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 5.4 Cg_endo -86.57 139.39 5.75 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.423 2.082 . . . . 0.0 112.174 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.65 146.8 30.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.925 0.393 . . . . 0.0 110.016 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 30' ' ' ARG . . . 79.43 -73.43 2.38 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -178.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.553 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 37.2 ptt180 172.58 146.93 0.19 Allowed Pre-proline 0 C--N 1.329 -0.309 0 C-N-CA 123.336 0.655 . . . . 0.0 109.599 178.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.73 ' HD2' ' HD2' ' A' ' 22' ' ' PRO . 72.9 Cg_endo . . . . . 0 N--CA 1.458 -0.582 0 C-N-CA 121.999 1.799 . . . . 0.0 112.148 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -159.57 142.23 13.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.319 -0.441 . . . . 0.0 110.467 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.561 ' HZ2' ' HB3' ' A' ' 3' ' ' LYS . 2.3 mmmp? 60.29 25.93 15.41 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.677 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 m -65.7 -42.31 91.32 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.203 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -72.9 139.86 47.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.032 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.54 124.09 13.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.933 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 m -81.6 71.68 8.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.885 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -150.19 148.77 29.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.929 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.589 HG13 ' H ' ' A' ' 10' ' ' THR . 3.2 pt -148.26 -59.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.818 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.589 ' H ' HG13 ' A' ' 9' ' ' ILE . 4.1 m -61.87 -45.89 91.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.992 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.3 pt -95.72 143.74 11.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.063 0.458 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.84 128.93 46.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.116 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -78.57 84.24 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -168.02 151.68 6.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.316 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.9 37.75 0.91 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 114.178 0.431 . . . . 0.0 114.178 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.569 ' HD2' ' HB3' ' A' ' 28' ' ' ASP . 86.5 mtm180 64.45 41.27 5.76 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 75.9 m -71.73 134.01 45.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.549 HG21 ' HB3' ' A' ' 30' ' ' ARG . 67.9 p -81.88 146.24 29.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.834 0.35 . . . . 0.0 110.809 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -110.87 43.27 1.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 m -163.33 171.38 16.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.763 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -78.08 126.25 83.95 Favored Pre-proline 0 C--N 1.321 -0.674 0 O-C-N 123.381 0.426 . . . . 0.0 110.499 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.763 ' HA ' HD12 ' A' ' 21' ' ' ILE . 88.1 Cg_endo -91.78 137.8 9.26 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.948 -1.272 . . . . 0.0 112.396 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 15.7 Cg_exo -71.82 113.8 3.77 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 0.0 111.496 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.726 HD12 ' HG2' ' A' ' 27' ' ' PRO . 3.1 pt -144.32 137.83 23.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.808 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 4.0 t -109.85 73.52 0.84 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.988 0.423 . . . . 0.0 110.43 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.808 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 29.4 t80 -165.58 -60.68 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.631 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.808 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 1.2 Cg_endo -86.24 115.48 1.39 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.353 2.035 . . . . 0.0 111.829 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.569 ' HB3' ' HD2' ' A' ' 16' ' ' ARG . 3.3 p30 -83.35 75.79 9.95 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.451 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.78 41.68 0.55 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.549 ' HB3' HG21 ' A' ' 18' ' ' THR . 21.4 tpt180 -160.73 129.21 2.97 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 22.6 Cg_exo . . . . . 0 C--N 1.346 0.41 0 C-N-CA 122.725 2.284 . . . . 0.0 112.704 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.21 -0.356 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 9' ' ' ILE . 2.1 p90 -154.85 42.79 0.47 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.938 0.875 . . . . 0.0 110.437 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -84.79 59.69 5.71 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.854 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.4 m -59.64 -38.62 81.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -171.62 115.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.164 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.2 mt 71.37 139.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 123.85 0.719 . . . . 0.0 111.413 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.4 t 67.1 121.95 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 122.023 0.916 . . . . 0.0 112.639 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.536 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 2.8 t -99.19 81.11 2.52 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.284 178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' A' ' 8' ' ' THR . 41.7 mm 82.54 -47.88 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.089 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -150.1 -62.79 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.039 0.447 . . . . 0.0 110.74 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 pt -72.94 158.59 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.247 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.68 146.04 50.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.79 0.329 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -82.13 -129.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 16.0 p-10 -75.09 59.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.144 0.497 . . . . 0.0 111.612 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 16' ' ' ARG . . . -71.33 55.05 1.16 Allowed Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.869 -0.605 . . . . 0.0 114.054 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 1.8 mpp_? 72.78 141.39 0.06 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.842 0.857 . . . . 0.0 112.099 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.756 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 35.2 m -80.16 133.14 36.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.282 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p -71.7 148.6 46.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.48 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -93.55 57.4 2.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -154.98 179.68 8.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 11.0 tt -108.78 129.69 23.65 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.645 0.259 . . . . 0.0 111.013 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 94.4 Cg_endo -83.87 140.64 36.5 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.155 -0.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 11.9 Cg_exo -71.67 120.86 7.19 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.409 2.072 . . . . 0.0 112.075 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 tt -150.63 142.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.756 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 17.6 m -76.54 71.63 3.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.18 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 36.2 t80 -153.8 124.3 3.44 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.901 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 26' ' ' PHE . 6.1 Cg_exo -74.7 67.4 5.65 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.058 2.505 . . . . 0.0 112.496 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.5 p-10 -91.5 -142.43 0.18 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.647 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.63 41.16 0.26 Allowed Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 61.1 ttt-85 -74.6 128.24 85.95 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.514 -0.343 . . . . 0.0 110.846 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 17.6 Cg_exo . . . . . 0 C--O 1.236 0.392 0 C-N-CA 122.517 2.145 . . . . 0.0 112.214 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -72.52 130.93 41.79 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -76.06 148.7 37.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.455 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 m -62.26 -37.85 87.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.484 0.659 . . . . 0.0 109.872 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -74.86 125.59 29.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.459 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.6 tt -59.08 124.76 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.158 0.504 . . . . 0.0 111.439 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.1 m -106.93 -172.41 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.568 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 p 48.24 54.74 9.81 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.449 0.642 . . . . 0.0 111.471 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 pt -105.67 -121.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.818 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.4 p -68.23 -29.95 68.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.13 0.49 . . . . 0.0 110.897 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.0 pt -125.51 148.13 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.445 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -168.67 144.38 3.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.929 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.602 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 13.4 t0 -62.99 128.29 35.16 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.349 0.406 . . . . 0.0 110.217 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -71.38 -33.91 69.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.048 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.16 113.93 0.49 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.602 ' NH1' ' HB3' ' A' ' 13' ' ' ASP . 12.0 mpt_? -58.02 129.67 43.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.013 0.435 . . . . 0.0 111.311 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 7.9 m -83.51 128.82 34.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.06 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 5.3 p -67.93 149.35 49.89 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.019 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -111.05 37.73 2.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -165.91 -179.09 5.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.834 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 22' ' ' PRO . 6.3 tp -78.49 126.55 82.77 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 123.155 0.285 . . . . 0.0 110.792 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.782 ' HA ' HD12 ' A' ' 21' ' ' ILE . 10.9 Cg_endo -91.99 134.88 8.02 Favored 'Cis proline' 0 N--CA 1.459 -0.548 0 C-N-CA 124.631 -0.987 . . . . 0.0 111.833 -0.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.509 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 2.8 Cg_exo -78.39 105.71 2.02 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.704 2.269 . . . . 0.0 112.063 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.8 tt -151.15 140.62 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.09 0.472 . . . . 0.0 110.431 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 60.4 m -82.06 90.36 6.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.965 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.792 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 27.1 t80 -174.11 -58.09 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.24 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 1.6 Cg_endo -82.88 130.59 5.81 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.273 1.982 . . . . 0.0 111.635 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -80.77 155.34 26.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.378 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.4 -127.46 23.61 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.349 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.45 ' N ' ' HD3' ' A' ' 31' ' ' PRO . 85.0 mtt-85 58.25 61.87 5.15 Favored Pre-proline 0 N--CA 1.467 0.397 0 C-N-CA 123.171 0.588 . . . . 0.0 111.751 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 30' ' ' ARG . 3.2 Cg_exo . . . . . 0 C--N 1.346 0.443 0 C-N-CA 122.786 2.324 . . . . 0.0 111.904 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.508 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -67.63 143.53 55.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.907 0.384 . . . . 0.0 111.026 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -163.45 135.2 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.186 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -62.52 -35.5 79.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.245 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 59.78 47.39 10.36 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.971 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.3 pt -60.96 133.7 26.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.233 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 p -161.64 139.8 9.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.048 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -77.64 60.75 2.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.177 0.513 . . . . 0.0 111.683 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.3 mt -69.5 -39.78 78.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.995 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.6 m 72.45 -55.0 0.68 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.951 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.0 pt -83.25 149.04 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -88.88 125.78 35.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.972 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -89.01 159.15 17.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -79.25 48.26 0.86 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.393 0.616 . . . . 0.0 110.242 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.27 -157.61 33.0 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.866 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -169.91 135.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 14.2 m -61.88 131.18 48.93 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 16.2 p -78.97 148.26 32.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.483 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -109.27 41.03 1.72 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m -161.71 175.83 11.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 50.5 mm -81.54 126.14 76.79 Favored Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 123.107 0.254 . . . . 0.0 110.553 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.545 ' HD3' ' HD2' ' A' ' 30' ' ' ARG . 64.6 Cg_endo -93.1 138.65 7.9 Favored 'Cis proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.954 -1.269 . . . . 0.0 112.631 -0.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.455 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 2.9 Cg_exo -76.98 115.76 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.647 2.231 . . . . 0.0 111.298 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.679 HD13 ' HD2' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -147.52 143.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.077 0.465 . . . . 0.0 111.248 -179.486 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 80.9 m -98.72 54.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.703 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.93 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 33.4 t80 -159.4 -64.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.531 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.93 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 5.7 Cg_exo -74.41 128.82 12.29 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.761 1.641 . . . . 0.0 111.137 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -80.74 134.28 35.8 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.35 -125.3 29.0 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.205 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.545 ' HD2' ' HD3' ' A' ' 22' ' ' PRO . 71.3 ttt180 -165.87 127.83 1.43 Allowed Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 12.4 Cg_exo . . . . . 0 C--O 1.235 0.373 0 C-N-CA 122.598 2.198 . . . . 0.0 111.948 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.002 -0.439 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -61.67 119.15 8.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.265 -0.467 . . . . 0.0 110.482 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.6 tttp 55.35 66.46 1.22 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.211 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -59.43 -31.38 69.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.653 0.739 . . . . 0.0 110.096 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 p -168.08 -82.05 0.02 OUTLIER 'General case' 0 C--O 1.24 0.56 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.054 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.4 tt -96.9 136.48 27.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.444 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.0 m -156.69 125.51 5.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -79.71 62.92 4.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.29 0.567 . . . . 0.0 110.575 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.88 -35.65 74.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.569 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 t -166.49 -39.69 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.124 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 pt -86.31 147.11 5.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.603 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -86.93 147.15 25.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.386 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -71.71 156.29 39.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.141 0.496 . . . . 0.0 110.838 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -86.0 -33.01 21.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.807 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.86 44.79 2.83 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.859 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -66.54 126.67 29.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.696 0.284 . . . . 0.0 110.548 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 7.2 m -72.01 131.38 42.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.159 0.504 . . . . 0.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.3 p -69.98 146.58 50.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.753 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -110.03 40.43 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.551 0.691 . . . . 0.0 109.508 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 m -160.51 171.9 18.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 50.5 mm -75.33 125.09 89.31 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 123.01 0.194 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.533 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 31.1 Cg_endo -93.77 137.76 7.05 Favored 'Cis proline' 0 N--CA 1.459 -0.525 0 C-N-CA 124.22 -1.159 . . . . 0.0 112.316 -0.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.533 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.8 Cg_exo -74.35 105.05 1.97 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.623 2.216 . . . . 0.0 111.679 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -145.8 144.26 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.643 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 45.5 m -85.18 64.13 8.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.709 0.766 . . . . 0.0 109.74 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 64.5 t80 -125.54 136.73 28.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.484 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 69.0 Cg_exo -51.84 149.38 20.08 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.023 2.482 . . . . 0.0 112.589 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -41.55 108.81 0.1 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.093 0.871 . . . . 0.0 111.82 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.28 129.83 1.22 Allowed Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.754 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 75.5 ttt180 -171.01 130.08 0.77 Allowed Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 12.8 Cg_exo . . . . . 0 C--O 1.236 0.421 0 C-N-CA 122.686 2.257 . . . . 0.0 111.863 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -70.99 126.12 28.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.349 -0.425 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -81.57 64.35 6.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.185 0.516 . . . . 0.0 110.76 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -58.54 -40.06 81.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.797 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m 60.82 -140.15 0.55 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.498 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 tt -169.06 139.69 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 m -92.39 124.83 36.73 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -72.09 145.96 47.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.044 0.449 . . . . 0.0 110.782 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.0 mm -71.82 -37.95 63.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.318 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.6 t -174.46 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.41 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.6 pt -65.27 152.84 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.052 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -69.37 134.62 49.25 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -158.84 134.41 8.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -170.42 149.51 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.192 0.52 . . . . 0.0 111.159 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.3 58.16 0.45 Allowed Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 28' ' ' ASP . 27.5 mtt85 -74.54 112.34 10.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.556 0.217 . . . . 0.0 110.64 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 61.5 m -77.32 131.08 37.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.167 0.508 . . . . 0.0 110.791 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.623 HG22 ' HA ' ' A' ' 28' ' ' ASP . 22.3 p -83.33 142.5 31.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.598 0.713 . . . . 0.0 111.598 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -107.41 43.33 1.19 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.525 178.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -161.59 164.51 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.773 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -78.28 127.53 80.84 Favored Pre-proline 0 C--N 1.321 -0.663 0 O-C-N 123.199 0.312 . . . . 0.0 110.31 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.749 ' HA ' HD12 ' A' ' 21' ' ' ILE . 19.3 Cg_endo -91.31 138.25 9.99 Favored 'Cis proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.518 -1.034 . . . . 0.0 112.243 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.492 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 Cg_exo -73.99 114.15 3.96 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.85 2.366 . . . . 0.0 112.374 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.4 HG23 ' HD2' ' A' ' 27' ' ' PRO . 2.7 tp -151.4 136.98 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.513 . . . . 0.0 109.794 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 59.4 m -86.98 81.69 8.02 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.276 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.901 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 36.5 t80 -175.82 -62.94 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.607 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.765 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 39.1 Cg_endo -96.43 75.72 0.11 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.052 2.501 . . . . 0.0 112.743 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.623 ' HA ' HG22 ' A' ' 18' ' ' THR . 3.8 t0 -62.48 143.49 57.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.261 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.35 134.18 2.73 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.504 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 24.7 mmm180 -115.45 126.98 27.2 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 122.326 -0.514 . . . . 0.0 110.508 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 12.3 Cg_exo . . . . . 0 C--O 1.233 0.248 0 C-N-CA 122.758 2.306 . . . . 0.0 112.003 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 112.035 -0.426 . . . . 0.0 112.035 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.733 ' HD1' ' HG2' ' A' ' 3' ' ' LYS . 26.6 p90 -161.25 147.43 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.733 ' HG2' ' HD1' ' A' ' 2' ' ' TYR . 19.6 pttp 44.32 46.91 7.86 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.875 0.87 . . . . 0.0 111.884 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -59.52 -35.56 74.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.133 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 m 59.75 37.11 22.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.14 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.3 tp -79.9 133.16 30.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.329 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.5 t -155.71 40.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.692 0.758 . . . . 0.0 109.568 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.409 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 1.1 p -146.41 139.45 25.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.945 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 8' ' ' THR . 48.9 mm 74.28 -44.88 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.036 0.534 . . . . 0.0 111.338 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.2 m -62.98 -38.78 92.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.214 0.53 . . . . 0.0 110.47 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 pt -102.07 149.36 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.081 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.521 ' CD ' HH12 ' A' ' 16' ' ' ARG . 5.0 tp10 -69.49 136.9 52.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -92.56 146.77 23.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.073 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -82.34 36.66 0.48 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.355 0.598 . . . . 0.0 110.739 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.7 -125.65 0.78 Allowed Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.521 HH12 ' CD ' ' A' ' 12' ' ' GLU . 1.3 tpt180 -178.75 116.87 0.07 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 117.13 0.465 . . . . 0.0 110.809 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 12.3 m -85.28 138.78 32.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.7 p -64.47 142.97 58.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.963 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -93.58 59.11 2.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.568 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -156.2 -156.58 0.64 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.518 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.5 tp -131.58 125.28 20.5 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.176 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.87 ' HA ' HD12 ' A' ' 21' ' ' ILE . 4.2 Cg_exo -80.15 140.19 52.28 Favored 'Cis proline' 0 C--N 1.344 0.329 0 C-N-CA 123.976 -1.26 . . . . 0.0 112.334 0.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.61 ' HD3' HD12 ' A' ' 21' ' ' ILE . 6.2 Cg_exo -78.0 113.64 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.592 2.195 . . . . 0.0 111.617 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 tt -151.01 145.07 16.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.155 0.502 . . . . 0.0 110.66 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 61.8 m -76.33 62.21 1.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.904 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -150.6 121.59 3.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.608 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -70.87 114.26 3.82 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.33 2.02 . . . . 0.0 112.04 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -168.74 159.22 9.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.609 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.59 -30.16 69.0 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.412 -0.423 . . . . 0.0 113.93 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 3.5 mtm-85 -66.78 -52.49 33.05 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.667 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 42.1 Cg_exo . . . . . 0 C--N 1.352 0.75 0 C-N-CA 122.14 1.893 . . . . 0.0 112.66 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -63.26 135.36 57.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.772 0.32 . . . . 0.0 110.261 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -123.55 67.45 1.01 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 m -59.46 -27.42 66.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.358 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -150.7 128.26 11.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.98 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.736 HG12 ' H ' ' A' ' 8' ' ' THR . 12.9 tt -169.94 139.63 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.242 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.1 p -120.45 28.27 8.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.622 0.725 . . . . 0.0 110.451 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.736 ' H ' HG12 ' A' ' 6' ' ' ILE . 3.2 m -113.16 108.81 17.8 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.646 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.1 mm -75.04 -39.21 43.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 122.039 0.923 . . . . 0.0 109.1 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.3 m -160.1 -42.51 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.5 pt -137.45 149.87 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 113.967 -1.469 . . . . 0.0 107.475 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -73.39 141.59 46.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.18 132.32 50.03 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.444 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -176.9 128.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.501 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.86 135.85 3.37 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.749 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 116.4 21.57 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 58.5 m -71.6 133.37 45.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.33 0.586 . . . . 0.0 111.963 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.55 HG21 ' HD3' ' A' ' 31' ' ' PRO . 50.4 p -90.69 149.21 22.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.714 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.47 43.11 1.56 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -162.38 167.02 24.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.1 tt -79.38 129.64 71.36 Favored Pre-proline 0 C--N 1.319 -0.753 0 O-C-N 123.305 0.378 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.663 ' HD2' ' HD2' ' A' ' 31' ' ' PRO . 2.8 Cg_endo -87.1 135.02 15.95 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.355 -1.102 . . . . 0.0 112.025 0.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 5.9 Cg_exo -77.62 113.92 3.59 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.624 2.216 . . . . 0.0 111.915 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.2 tt -151.68 139.56 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.248 0.547 . . . . 0.0 110.518 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 60.6 m -87.65 91.77 8.86 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.919 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.746 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 21.2 t80 -175.67 -58.6 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.795 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.746 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 84.8 Cg_endo -83.23 160.63 15.29 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.358 2.039 . . . . 0.0 113.668 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -85.28 138.45 32.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.364 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.33 -79.28 0.42 Allowed Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 113.524 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 15.6 ptm180 -173.05 140.47 0.92 Allowed Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 122.833 0.453 . . . . 0.0 110.132 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.674 ' HG3' ' HG3' ' A' ' 27' ' ' PRO . 16.6 Cg_exo . . . . . 0 C--O 1.235 0.349 0 C-N-CA 122.615 2.21 . . . . 0.0 111.87 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -78.11 57.93 1.91 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.337 -0.431 . . . . 0.0 110.726 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -152.01 143.23 23.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.992 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.2 m -151.64 -51.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.225 0.536 . . . . 0.0 110.024 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -76.66 66.46 2.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.651 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.7 mm -69.7 108.63 2.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.7 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m -160.02 148.86 17.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 m -68.17 87.6 0.28 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.752 0.311 . . . . 0.0 110.762 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.5 mm 72.4 -51.27 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.369 0.668 . . . . 0.0 111.234 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -157.99 -46.28 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.841 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.3 pt -141.01 156.14 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.89 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.26 133.52 50.76 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.327 0.392 . . . . 0.0 110.13 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -102.34 150.42 23.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.67 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -162.88 133.87 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.265 0.555 . . . . 0.0 110.496 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.717 ' HA2' ' HA ' ' A' ' 26' ' ' PHE . . . -175.58 41.53 0.11 Allowed Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -84.48 132.2 34.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.731 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 32.1 m -74.62 132.41 41.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.636 HG21 ' HD3' ' A' ' 31' ' ' PRO . 21.3 p -84.97 140.64 30.92 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.561 0.696 . . . . 0.0 111.716 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.902 ' H ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -100.29 37.69 1.63 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.688 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 m -161.42 165.0 29.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.06 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.4 mm -75.64 127.58 85.53 Favored Pre-proline 0 C--N 1.319 -0.732 0 O-C-N 123.556 0.535 . . . . 0.0 110.607 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.527 ' HD2' ' HG2' ' A' ' 31' ' ' PRO . 7.4 Cg_endo -89.46 135.7 11.78 Favored 'Cis proline' 0 CA--C 1.532 0.384 0 C-N-CA 124.62 -0.991 . . . . 0.0 111.981 -0.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.533 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 4.0 Cg_exo -78.09 112.46 3.25 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.763 2.309 . . . . 0.0 112.455 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.1 pt -150.25 139.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.369 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.731 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 42.0 m -84.21 84.82 7.48 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.803 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 22.3 t80 -165.68 -56.98 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.451 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 90.3 Cg_endo -89.66 153.08 5.17 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.452 2.101 . . . . 0.0 113.203 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.46 136.02 34.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.978 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.52 -62.54 1.5 Allowed Glycine 0 C--O 1.238 0.369 0 CA-C-N 116.339 -0.391 . . . . 0.0 113.64 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -176.53 146.0 0.71 Allowed Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 123.199 0.6 . . . . 0.0 110.053 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.636 ' HD3' HG21 ' A' ' 18' ' ' THR . 23.7 Cg_exo . . . . . 0 C--O 1.238 0.504 0 C-N-CA 122.569 2.179 . . . . 0.0 112.005 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -70.85 143.95 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.97 0.415 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -159.7 128.39 5.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.213 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -62.78 -45.63 91.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.364 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m 56.49 41.89 28.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.877 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 tt -70.96 132.77 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.154 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 m -160.25 137.92 9.69 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 12' ' ' GLU . 10.7 m -60.6 118.7 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.299 0.375 . . . . 0.0 110.877 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -71.94 -45.44 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.343 0.592 . . . . 0.0 110.567 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.5 m -159.77 -49.28 0.05 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.636 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.634 ' H ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -131.59 150.63 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.143 179.184 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.559 ' HB2' HG23 ' A' ' 8' ' ' THR . 58.4 tt0 -157.18 131.88 8.7 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -121.81 160.9 23.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.013 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -157.27 32.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.285 0.564 . . . . 0.0 109.914 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.46 142.19 47.05 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.697 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 16' ' ' ARG . 3.2 mmt85 -82.16 141.89 32.67 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 39.8 m -58.95 134.22 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.216 0.532 . . . . 0.0 111.433 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 p -68.85 145.27 53.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.752 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.96 38.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.534 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -159.84 172.32 17.87 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 22' ' ' PRO . 5.9 tp -81.7 126.75 74.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.282 0.364 . . . . 0.0 110.948 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.811 ' HA ' HD12 ' A' ' 21' ' ' ILE . 92.4 Cg_endo -89.26 136.6 12.72 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 124.07 -1.221 . . . . 0.0 112.4 -0.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.485 ' HD3' HD12 ' A' ' 21' ' ' ILE . 2.7 Cg_exo -78.98 106.71 2.12 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.849 2.366 . . . . 0.0 112.099 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pp -150.21 146.18 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 21.8 m -78.62 64.68 3.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.002 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 59.3 t80 -164.37 137.96 4.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.504 -0.771 . . . . 0.0 108.978 -178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.627 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 10.0 Cg_endo -53.85 138.71 69.2 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.614 2.209 . . . . 0.0 111.898 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -55.93 133.39 51.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.42 0.628 . . . . 0.0 111.786 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -170.99 43.96 0.19 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.48 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 25.1 ptt-85 -60.88 134.93 92.69 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.227 -0.487 . . . . 0.0 111.044 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 15.5 Cg_exo . . . . . 0 C--O 1.234 0.294 0 C-N-CA 122.631 2.221 . . . . 0.0 111.986 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -156.11 133.82 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 80.8 tttt 54.74 38.76 30.68 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.879 0.737 . . . . 0.0 111.357 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -79.64 -27.29 40.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 p 48.45 48.05 19.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.792 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.8 mm -76.64 131.18 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.229 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.8 t -78.04 53.03 1.13 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.132 0.492 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -156.92 136.22 12.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.77 -47.42 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.013 0.435 . . . . 0.0 110.538 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.65 -63.79 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.756 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.429 ' H ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -143.71 156.53 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.184 178.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -159.9 144.96 15.16 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -73.54 142.4 46.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.254 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -58.51 -34.62 71.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.126 0.489 . . . . 0.0 110.507 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.22 -119.23 1.5 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.66 144.07 1.06 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.808 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.1 m -67.1 135.27 53.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 0.0 111.078 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.739 HG22 ' HA ' ' A' ' 28' ' ' ASP . 17.9 p -64.0 146.05 54.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.482 -178.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -98.45 37.16 1.5 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.2 179.458 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -161.21 174.91 12.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.453 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -85.0 129.77 54.89 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 123.17 0.294 . . . . 0.0 110.694 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 71.9 Cg_endo -87.82 135.87 15.18 Favored 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.744 -1.357 . . . . 0.0 112.079 -0.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 10.3 Cg_exo -75.59 106.53 2.29 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.685 2.257 . . . . 0.0 112.164 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 tp -151.09 146.84 15.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.389 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.808 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 9.2 m -69.09 103.77 1.96 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.089 0.947 . . . . 0.0 110.13 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CD1' ' HD2' ' A' ' 27' ' ' PRO . 49.6 t80 -178.34 144.06 0.47 Allowed Pre-proline 0 N--CA 1.444 -0.728 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.652 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 2.6 Cg_endo -41.53 121.99 1.73 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.913 2.408 . . . . 0.0 112.236 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.739 ' HA ' HG22 ' A' ' 18' ' ' THR . 8.6 t70 -61.16 108.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.869 -178.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.19 139.7 2.72 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.862 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.623 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . 3.6 tpm_? -153.3 -54.04 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.977 0.389 . . . . 0.0 111.595 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 30' ' ' ARG . 20.4 Cg_exo . . . . . 0 C--N 1.353 0.815 0 C-N-CA 121.89 1.727 . . . . 0.0 112.079 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 112.192 -0.363 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.11 151.83 34.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.375 . . . . 0.0 111.444 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HE3' ' HB2' ' A' ' 3' ' ' LYS . 17.7 ptmt -76.99 81.25 3.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 111.402 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m 77.26 -35.41 0.22 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.474 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p -175.53 -43.76 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.545 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.454 ' HB ' ' HG3' ' A' ' 3' ' ' LYS . 34.0 mm -63.06 135.65 27.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.007 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.4 t -143.78 158.07 43.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.1 p 54.72 52.77 11.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.839 0.828 . . . . 0.0 110.371 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -67.58 -43.0 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.604 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.0 m -160.37 -48.34 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.101 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 12' ' ' GLU . 2.7 mm -92.49 169.75 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.502 ' H ' HG22 ' A' ' 11' ' ' ILE . 11.3 tp10 -78.89 66.34 4.32 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.56 128.84 37.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.503 0.668 . . . . 0.0 110.322 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' HB3' ' HB2' ' A' ' 25' ' ' CYS . 10.9 m120 -73.28 141.75 47.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.206 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.02 -138.33 5.99 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.71 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HD2' ' OD2' ' A' ' 28' ' ' ASP . 99.3 mtt180 -72.24 135.78 46.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.685 0.278 . . . . 0.0 111.525 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 34.3 m -90.37 133.76 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.034 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -81.43 144.03 31.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.154 0.502 . . . . 0.0 111.584 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -106.51 40.63 1.58 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.745 0.783 . . . . 0.0 108.964 179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -160.09 178.6 9.52 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 12.9 tt -86.19 129.07 55.13 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 120.688 0.28 . . . . 0.0 111.378 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.515 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 83.2 Cg_endo -89.39 137.14 12.87 Favored 'Cis proline' 0 C--N 1.346 0.435 0 C-N-CA 123.797 -1.334 . . . . 0.0 112.205 -0.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' A' ' 22' ' ' PRO . 7.4 Cg_exo -75.85 97.99 1.15 Allowed 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.72 2.28 . . . . 0.0 111.95 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.45 ' HB ' ' CD ' ' A' ' 27' ' ' PRO . 9.7 mt -142.1 140.99 29.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.939 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 33.9 m -84.97 66.21 9.63 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.987 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 30.2 t80 -166.44 -56.82 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.86 -179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 74.6 Cg_endo -78.12 72.05 6.4 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.902 1.735 . . . . 0.0 112.719 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.522 ' OD2' ' HD2' ' A' ' 16' ' ' ARG . 47.3 t0 -62.39 165.69 5.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.147 0.499 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.87 34.25 39.07 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.654 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 27' ' ' PRO . 12.0 mmt180 -126.58 73.08 74.22 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.536 0.207 . . . . 0.0 110.579 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo . . . . . 0 C--N 1.344 0.328 0 C-N-CA 122.758 2.305 . . . . 0.0 112.033 -179.766 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.304 -0.319 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -76.93 63.33 2.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.225 0.536 . . . . 0.0 110.666 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -76.97 123.43 26.31 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.419 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -65.42 -41.11 93.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 70.46 -57.32 0.58 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.522 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.23 124.62 21.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.398 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -135.22 129.34 33.53 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.3 p -80.15 53.37 1.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.573 0.702 . . . . 0.0 111.942 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -73.1 -41.75 59.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.63 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.8 p -130.72 -47.62 1.05 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.327 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.651 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 44.3 pt -77.78 145.75 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.044 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 179.7 138.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -82.74 166.4 19.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 111.782 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.67 36.75 19.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.29 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.34 -169.57 41.12 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.202 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 68.06 135.14 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.71 0.766 . . . . 0.0 111.588 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 38.5 m -82.77 137.92 34.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.877 HG21 ' HD3' ' A' ' 31' ' ' PRO . 63.7 p -73.54 153.96 40.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.88 -179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 8.6 mptt -114.23 39.71 2.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.032 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.5 m -165.43 172.58 12.01 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 47.5 mm -79.17 128.19 76.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 O-C-N 123.411 0.445 . . . . 0.0 110.199 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.602 ' HD2' ' HD2' ' A' ' 31' ' ' PRO . 7.8 Cg_endo -90.14 136.01 10.89 Favored 'Cis proline' 0 N--CA 1.461 -0.412 0 C-N-CA 124.439 -1.067 . . . . 0.0 112.041 -0.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.649 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.9 Cg_exo -75.36 112.69 3.59 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.732 2.288 . . . . 0.0 111.971 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.99 140.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.086 0.47 . . . . 0.0 110.302 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 18.9 m -88.45 85.2 6.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.315 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.724 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 28.1 t80 -170.21 -55.86 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.115 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.831 ' HG2' ' HG3' ' A' ' 31' ' ' PRO . 1.4 Cg_endo -85.19 139.33 7.05 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.548 2.165 . . . . 0.0 110.743 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.651 ' OD2' ' HB ' ' A' ' 11' ' ' ILE . 40.7 t0 -74.4 140.48 44.76 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.274 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.46 -74.93 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.423 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 6.7 ptm180 -174.02 143.89 0.96 Allowed Pre-proline 0 C--N 1.327 -0.402 0 C-N-CA 123.068 0.547 . . . . 0.0 110.134 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.877 ' HD3' HG21 ' A' ' 18' ' ' THR . 24.5 Cg_exo . . . . . 0 C--O 1.238 0.501 0 C-N-CA 122.512 2.141 . . . . 0.0 112.069 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.212 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -65.73 127.69 32.97 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -145.56 53.37 1.18 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.058 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 m -62.54 -39.59 94.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.449 0.642 . . . . 0.0 110.479 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -82.95 130.2 35.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.649 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.2 pt -63.09 129.36 26.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.969 0.414 . . . . 0.0 111.266 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.4 p -72.66 129.49 38.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.541 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 t -159.12 144.94 16.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.079 0.466 . . . . 0.0 110.697 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.8 mt -72.78 -24.77 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.157 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.7 m 77.23 -47.69 0.51 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.431 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 12' ' ' GLU . 2.3 mm -95.05 166.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' H ' HG22 ' A' ' 11' ' ' ILE . 31.5 tt0 -161.33 137.37 8.1 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -75.01 136.59 41.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.703 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 56.17 33.95 23.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.813 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.681 ' HA2' ' HA ' ' A' ' 26' ' ' PHE . . . -169.36 26.08 0.11 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.998 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -83.01 132.07 35.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.62 -0.341 . . . . 0.0 110.102 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 34.8 m -71.19 135.0 47.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.052 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 12.0 p -83.97 146.57 27.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.143 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -107.62 40.46 1.7 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.694 0.759 . . . . 0.0 109.552 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 m -159.84 175.31 13.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.789 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 22' ' ' PRO . 48.2 mm -83.69 127.31 68.28 Favored Pre-proline 0 C--N 1.321 -0.636 0 O-C-N 123.254 0.346 . . . . 0.0 110.316 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 16.1 Cg_endo -90.97 137.07 9.96 Favored 'Cis proline' 0 N--CA 1.46 -0.488 0 C-N-CA 124.159 -1.184 . . . . 0.0 112.255 -0.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.442 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 4.8 Cg_exo -76.96 110.01 2.95 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.643 2.229 . . . . 0.0 111.857 -179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 tp -150.97 137.38 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.391 0.615 . . . . 0.0 110.518 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 17' ' ' CYS . 24.7 m -86.55 82.45 7.91 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.004 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.853 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 34.0 t80 -168.23 -60.51 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.05 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.853 ' HD3' ' HB3' ' A' ' 26' ' ' PHE . 32.3 Cg_endo -91.02 128.03 1.24 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.006 1.804 . . . . 0.0 112.146 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -81.2 142.99 32.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.23 -122.3 6.45 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.621 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 40.0 ptt180 -173.25 138.28 0.79 Allowed Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 21.5 Cg_exo . . . . . 0 C--O 1.233 0.246 0 C-N-CA 122.684 2.256 . . . . 0.0 112.302 -179.672 . . . . . . . . 1 1 . 1 stop_ save_