data_5kj3_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 5kj3 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.501 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp . . . . . 0 CA--C 1.509 -0.621 0 CA-C-O 120.531 0.205 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.34 17.15 5.6 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.698 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -24.25 144.52 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.582 0 CA-C-O 125.236 2.446 . . . . 0.0 115.492 -177.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.532 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.52 1.93 Allowed Glycine 0 C--N 1.273 -2.957 1 CA-C-N 107.529 -4.396 . . . . 0.0 105.937 -176.32 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.64 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.21 -2.97 26.39 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 112.213 -1.993 . . . . 0.0 109.142 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.846 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.32 -78.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.561 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.67 HE21 ' N ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -29.1 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 175.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.8 t -95.87 -36.84 10.96 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-O 121.047 0.451 . . . . 0.0 111.267 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.9 mm -113.68 -41.27 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.886 0.851 . . . . 0.0 109.824 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 48.05 168.28 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.634 -1.621 . . . . 0.0 113.714 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.422 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -52.77 -20.81 8.46 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 114.303 -1.317 . . . . 0.0 112.45 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.14 35.06 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.585 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.455 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.5 p . . . . . 0 C--N 1.332 -0.176 0 CA-C-O 120.877 0.37 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.518 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 120.435 0.16 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.28 17.19 5.55 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 -179.216 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.701 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.28 144.51 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.523 0 CA-C-O 125.31 2.481 . . . . 0.0 115.422 -177.059 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.515 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.35 -3.6 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.483 -4.417 . . . . 0.0 105.924 -176.321 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.628 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.08 -3.0 26.52 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 112.26 -1.97 . . . . 0.0 109.167 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.843 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.53 -78.5 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.534 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.666 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.84 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.2 175.713 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.644 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.0 t -95.35 -37.17 11.09 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.113 0.482 . . . . 0.0 111.225 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.0 mm -112.81 -41.87 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.968 0.89 . . . . 0.0 109.797 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.23 170.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.58 -1.646 . . . . 0.0 113.599 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.414 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -51.91 -22.03 8.5 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.573 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.01 29.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.839 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HB ' HD23 ' A' ' 10' ' ' LEU . 7.6 p . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 111.039 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.515 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.612 0 CA-C-O 120.512 0.196 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.22 5.57 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -179.284 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.705 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.29 144.67 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.574 0 CA-C-O 125.24 2.448 . . . . 0.0 115.385 -177.106 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.528 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.0 -3.44 1.99 Allowed Glycine 0 C--N 1.272 -2.975 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.93 -176.341 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.624 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.15 -3.06 26.34 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 112.215 -1.992 . . . . 0.0 109.104 178.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.816 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.46 -78.44 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.518 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.68 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.75 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 175.714 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.656 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.0 t -95.53 -37.33 10.92 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.988 0.423 . . . . 0.0 111.196 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.8 mm -112.47 -41.67 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.931 0.872 . . . . 0.0 109.852 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.2 tp 47.84 169.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.562 -1.653 . . . . 0.0 113.668 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.409 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -53.42 -21.9 14.39 Favored Glycine 0 N--CA 1.436 -1.344 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.553 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.52 31.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.741 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.465 ' HB ' HD23 ' A' ' 10' ' ' LEU . 14.9 p . . . . . 0 C--N 1.332 -0.18 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.519 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.605 0 CA-C-O 120.491 0.186 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.19 5.55 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.214 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.706 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.538 0 CA-C-O 125.306 2.479 . . . . 0.0 115.392 -177.104 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.525 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.18 -3.38 1.94 Allowed Glycine 0 C--N 1.273 -2.939 1 CA-C-N 107.454 -4.43 . . . . 0.0 105.903 -176.32 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.628 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.3 -2.96 26.26 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.244 -1.978 . . . . 0.0 109.126 178.354 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.834 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.56 -78.32 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.559 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.675 HE21 ' N ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -28.77 -29.57 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.172 175.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.653 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.1 t -95.27 -37.54 10.95 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 121.135 0.493 . . . . 0.0 111.224 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.1 mm -112.09 -41.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.98 0.895 . . . . 0.0 109.865 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.11 169.65 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.581 -1.645 . . . . 0.0 113.651 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.414 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -52.51 -22.67 11.56 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.644 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 30.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.801 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.462 ' HB ' HD23 ' A' ' 10' ' ' LEU . 9.4 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.759 0.314 . . . . 0.0 111.029 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.498 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp . . . . . 0 CA--C 1.509 -0.603 0 CA-C-O 120.54 0.21 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.29 17.2 5.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.699 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -24.32 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.588 0 CA-C-O 125.255 2.455 . . . . 0.0 115.463 -177.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.532 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.58 -3.74 1.88 Allowed Glycine 0 C--N 1.273 -2.952 1 CA-C-N 107.485 -4.416 . . . . 0.0 105.962 -176.319 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.635 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.02 -3.06 26.52 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 112.218 -1.991 . . . . 0.0 109.233 178.39 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.843 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.27 -78.46 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.568 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.671 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -29.09 -29.27 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 175.71 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.65 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.5 t -95.86 -36.93 10.94 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-O 121.03 0.443 . . . . 0.0 111.32 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 6' ' ' LEU . 45.7 mm -113.53 -41.22 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.904 0.859 . . . . 0.0 109.873 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.769 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 47.47 168.63 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.659 -1.61 . . . . 0.0 113.708 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.421 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -54.41 -20.29 15.95 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.29 -1.323 . . . . 0.0 112.329 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.33 35.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.485 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 ' HB ' HD23 ' A' ' 10' ' ' LEU . 7.3 p . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.341 . . . . 0.0 111.244 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.514 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 120.525 0.203 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.31 17.14 5.56 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -179.239 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.703 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.23 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.583 0 CA-C-O 125.279 2.466 . . . . 0.0 115.466 -177.019 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.533 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.44 -3.51 1.89 Allowed Glycine 0 C--N 1.274 -2.9 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.961 -176.351 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.594 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.12 -3.46 25.83 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 112.339 -1.931 . . . . 0.0 109.195 178.361 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.827 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.62 -83.29 0.09 Allowed 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.883 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.704 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.3 -32.82 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 120.836 0.35 . . . . 0.0 111.571 175.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.755 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.0 t -96.5 -40.94 8.82 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.239 0.542 . . . . 0.0 111.861 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.1 mm -124.97 30.34 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.944 0.878 . . . . 0.0 109.455 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.786 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.9 tp -38.46 162.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.922 -1.49 . . . . 0.0 113.401 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.57 -24.0 1.57 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 114.149 -1.387 . . . . 0.0 112.972 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.56 30.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.099 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 6.2 p . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 111.05 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.503 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.622 0 CA-C-O 120.499 0.19 . . . . 0.0 111.335 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.21 17.21 5.49 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.705 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.25 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.56 0 CA-C-O 125.269 2.461 . . . . 0.0 115.485 -177.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.526 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.61 -3.7 1.87 Allowed Glycine 0 C--N 1.272 -3.005 1 CA-C-N 107.429 -4.441 . . . . 0.0 105.996 -176.266 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.593 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -102.99 -3.42 26.06 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 112.276 -1.962 . . . . 0.0 109.222 178.376 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.828 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.58 -83.37 0.09 Allowed 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.859 179.737 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.69 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -21.88 -33.14 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.877 0.37 . . . . 0.0 111.58 175.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.761 ' N ' ' O ' ' A' ' 6' ' ' LEU . 4.9 t -96.09 -41.37 8.76 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.226 0.536 . . . . 0.0 111.741 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.576 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.3 mm -123.48 29.93 2.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.007 0.908 . . . . 0.0 109.441 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.9 tp -38.42 162.92 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.837 -1.529 . . . . 0.0 113.547 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.45 -24.93 2.79 Favored Glycine 0 N--CA 1.437 -1.285 0 CA-C-N 114.024 -1.444 . . . . 0.0 113.343 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.58 25.16 0.24 Allowed Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.587 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.679 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 8.5 p . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 117.109 0.454 . . . . 0.0 110.769 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.618 0 CA-C-O 120.483 0.182 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.41 17.03 5.59 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.706 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.1 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.534 0 CA-C-O 125.33 2.491 . . . . 0.0 115.46 -177.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.532 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.79 -3.57 1.8 Allowed Glycine 0 C--N 1.273 -2.928 1 CA-C-N 107.489 -4.414 . . . . 0.0 105.968 -176.389 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.586 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.0 -3.69 25.68 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 112.274 -1.963 . . . . 0.0 109.17 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.811 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.35 -83.74 0.08 Allowed 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.774 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.723 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -21.89 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 120.901 0.382 . . . . 0.0 111.688 175.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.746 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.0 t -95.63 -41.19 9.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-O 121.257 0.551 . . . . 0.0 111.826 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.58 ' H ' HG21 ' A' ' 8' ' ' THR . 14.6 mm -123.12 29.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.048 0.928 . . . . 0.0 109.4 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -39.43 164.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.376 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.07 -23.65 1.74 Allowed Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.834 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 31.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.954 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 7.4 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.807 0.336 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 120.541 0.21 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.39 17.14 5.66 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -179.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.7 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.27 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.536 0 CA-C-O 125.224 2.44 . . . . 0.0 115.438 -177.067 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.532 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.47 1.92 Allowed Glycine 0 C--N 1.273 -2.95 1 CA-C-N 107.527 -4.397 . . . . 0.0 105.934 -176.286 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.637 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.16 -3.08 26.31 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 112.296 -1.952 . . . . 0.0 109.164 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.81 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.55 -78.49 0.16 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.474 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.675 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.65 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.129 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.649 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.5 t -94.8 -37.77 11.08 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 121.075 0.464 . . . . 0.0 111.123 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.6 mm -111.62 -42.6 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.887 0.851 . . . . 0.0 109.784 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.6 tp 48.61 169.1 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.789 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.424 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -53.92 -22.94 21.17 Favored Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 114.262 -1.335 . . . . 0.0 112.702 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.08 33.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.914 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.492 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.4 p . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 121.154 0.502 . . . . 0.0 111.222 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp . . . . . 0 CA--C 1.508 -0.64 0 CA-C-O 120.469 0.176 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.25 17.16 5.5 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.709 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.22 144.49 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.545 0 CA-C-O 125.337 2.494 . . . . 0.0 115.397 -177.058 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.538 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.39 -3.71 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.46 -4.427 . . . . 0.0 105.951 -176.319 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.586 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -102.89 -3.57 26.02 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 112.268 -1.966 . . . . 0.0 109.211 178.356 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.826 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.42 -83.67 0.08 Allowed 'General case' 0 C--O 1.206 -1.218 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.863 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.701 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.01 -33.09 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 120.872 0.368 . . . . 0.0 111.619 175.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.753 ' N ' ' O ' ' A' ' 6' ' ' LEU . 4.9 t -95.95 -41.62 8.69 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.804 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.586 ' H ' HG21 ' A' ' 8' ' ' THR . 13.2 mm -123.3 29.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.029 0.919 . . . . 0.0 109.51 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.785 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp -38.49 161.95 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.899 -1.501 . . . . 0.0 113.62 -178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -50.82 -23.36 6.87 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.18 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.9 26.9 0.39 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.733 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.663 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 8.5 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 121.204 0.526 . . . . 0.0 110.731 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.516 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.634 0 CA-C-O 120.509 0.195 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.27 17.18 5.54 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.701 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.15 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.532 0 CA-C-O 125.244 2.45 . . . . 0.0 115.445 -177.128 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.518 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.25 -3.26 1.91 Allowed Glycine 0 C--N 1.272 -2.985 1 CA-C-N 107.492 -4.413 . . . . 0.0 105.994 -176.318 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.583 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.38 -3.3 25.68 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 112.227 -1.987 . . . . 0.0 109.193 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.801 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.07 -82.34 0.1 Allowed 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.952 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.696 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.35 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 175.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.75 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.2 t -97.74 -40.96 8.31 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.964 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.563 ' H ' HG21 ' A' ' 8' ' ' THR . 13.5 mm -125.58 30.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.964 0.888 . . . . 0.0 109.671 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.95 155.92 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.475 . . . . 0.0 113.586 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.413 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -56.53 -20.37 30.58 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.286 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' H ' ' HG ' ' A' ' 10' ' ' LEU . . . -126.01 -23.96 1.55 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.375 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.4 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.268 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.4 tpp . . . . . 0 CA--C 1.51 -0.586 0 CA-C-O 120.464 0.174 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.3 17.18 5.57 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.696 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -24.26 144.39 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.594 0 CA-C-O 125.214 2.435 . . . . 0.0 115.398 -177.074 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.53 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.31 -3.36 1.9 Allowed Glycine 0 C--N 1.272 -2.995 1 CA-C-N 107.567 -4.379 . . . . 0.0 106.011 -176.244 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.64 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.15 -3.19 26.16 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 112.193 -2.004 . . . . 0.0 109.127 178.298 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.835 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.54 -78.36 0.16 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.442 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.672 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.97 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 175.722 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.9 t -95.21 -37.2 11.14 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.147 0.499 . . . . 0.0 111.18 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.546 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.7 mm -112.38 -42.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.886 0.85 . . . . 0.0 109.82 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.8 tp 47.5 169.9 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.528 -1.669 . . . . 0.0 113.707 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.408 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -55.76 -20.32 24.82 Favored Glycine 0 N--CA 1.434 -1.444 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.293 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.08 35.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.587 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.436 ' HB ' HD23 ' A' ' 10' ' ' LEU . 7.5 p . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 120.801 0.334 . . . . 0.0 111.272 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp . . . . . 0 CA--C 1.508 -0.635 0 CA-C-O 120.431 0.158 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.35 17.17 5.63 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.705 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.15 144.42 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.561 0 CA-C-O 125.234 2.445 . . . . 0.0 115.444 -177.146 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.531 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.36 -3.48 1.9 Allowed Glycine 0 C--N 1.272 -3.006 1 CA-C-N 107.523 -4.398 . . . . 0.0 105.924 -176.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.638 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.12 -2.97 26.51 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 112.232 -1.984 . . . . 0.0 109.14 178.331 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.824 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.42 -78.47 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.531 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.673 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.73 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 175.771 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.653 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.0 t -95.2 -37.53 10.99 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.045 0.45 . . . . 0.0 111.107 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.4 mm -112.16 -42.27 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.967 0.889 . . . . 0.0 109.836 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.62 169.47 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.662 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -51.71 -22.77 9.01 Favored Glycine 0 N--CA 1.437 -1.289 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.664 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.37 32.48 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.133 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.447 HG12 ' HB3' ' A' ' 10' ' ' LEU . 3.7 p . . . . . 0 C--N 1.332 -0.195 0 CA-C-O 120.984 0.421 . . . . 0.0 111.072 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.575 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 1.3 ttt . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 120.468 0.175 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 60.22 17.05 6.6 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.702 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.541 0 CA-C-O 125.335 2.493 . . . . 0.0 115.438 -177.095 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.523 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.21 -3.24 1.92 Allowed Glycine 0 C--N 1.273 -2.967 1 CA-C-N 107.476 -4.42 . . . . 0.0 105.955 -176.292 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.628 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.2 -3.08 26.24 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 112.321 -1.939 . . . . 0.0 109.163 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.805 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.66 -78.54 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.485 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.671 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.86 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 175.743 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.2 t -95.1 -37.47 11.07 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 121.102 0.477 . . . . 0.0 111.156 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.555 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.6 mm -112.32 -42.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.877 0.846 . . . . 0.0 109.792 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.4 tp 47.94 171.13 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.639 -1.619 . . . . 0.0 113.621 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.413 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -52.51 -22.04 10.26 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.576 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.47 28.8 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.844 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' HB ' HD23 ' A' ' 10' ' ' LEU . 9.6 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.108 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 120.513 0.197 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.32 17.2 5.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.704 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.14 144.44 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.254 2.454 . . . . 0.0 115.402 -177.081 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.521 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.25 1.9 Allowed Glycine 0 C--N 1.274 -2.902 1 CA-C-N 107.479 -4.419 . . . . 0.0 105.93 -176.364 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.574 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.42 -3.29 25.65 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.238 -1.981 . . . . 0.0 109.194 178.394 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.807 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.15 -82.03 0.1 Allowed 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.03 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.702 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.55 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.494 175.811 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.746 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.5 t -98.0 -40.54 8.41 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.558 ' H ' HG21 ' A' ' 8' ' ' THR . 18.4 mm -126.71 30.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 122.092 0.948 . . . . 0.0 109.767 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.97 156.13 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.581 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.421 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -56.04 -19.34 22.67 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 113.813 -1.54 . . . . 0.0 113.422 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.64 -23.67 1.07 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.568 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.63 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.3 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.293 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.514 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 120.418 0.152 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.24 17.23 5.54 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.698 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.21 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.297 2.475 . . . . 0.0 115.408 -177.136 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.528 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.57 1.94 Allowed Glycine 0 C--N 1.274 -2.914 1 CA-C-N 107.525 -4.398 . . . . 0.0 105.945 -176.34 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.633 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.03 -3.11 26.44 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 112.228 -1.986 . . . . 0.0 109.119 178.334 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.799 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -78.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.526 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.671 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.8 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 175.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.65 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.0 t -95.18 -37.44 11.04 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 121.059 0.456 . . . . 0.0 111.193 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.1 mm -112.3 -42.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.977 0.894 . . . . 0.0 109.858 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.3 tp 48.71 168.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.541 -1.663 . . . . 0.0 113.723 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -53.22 -23.08 16.13 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.645 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.58 35.27 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.948 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 10' ' ' LEU . 6.0 p . . . . . 0 C--N 1.332 -0.168 0 CA-C-O 121.138 0.494 . . . . 0.0 111.243 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.515 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 120.504 0.192 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.33 17.25 5.68 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.698 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.43 144.64 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.52 0 CA-C-O 125.294 2.473 . . . . 0.0 115.396 -177.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.525 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.15 -3.53 1.96 Allowed Glycine 0 C--N 1.273 -2.918 1 CA-C-N 107.477 -4.42 . . . . 0.0 105.927 -176.303 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.636 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.05 -3.1 26.42 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.212 -1.994 . . . . 0.0 109.158 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.851 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.48 -78.69 0.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.445 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.68 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.54 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.227 175.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.656 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.0 t -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.036 0.446 . . . . 0.0 111.101 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.3 mm -112.2 -42.23 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.867 0.842 . . . . 0.0 109.683 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.2 tp 47.67 171.77 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.593 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.409 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -52.32 -21.39 8.46 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.373 -1.285 . . . . 0.0 112.51 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.49 28.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.855 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 10.0 p . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 120.832 0.349 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp . . . . . 0 CA--C 1.509 -0.6 0 CA-C-O 120.472 0.177 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.36 17.28 5.74 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.703 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.38 144.22 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-O 125.204 2.431 . . . . 0.0 115.504 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.534 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.63 -3.53 1.84 Allowed Glycine 0 C--N 1.273 -2.97 1 CA-C-N 107.524 -4.398 . . . . 0.0 105.95 -176.328 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.594 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.09 -3.5 25.81 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 112.254 -1.973 . . . . 0.0 109.183 178.345 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.829 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.48 -83.52 0.09 Allowed 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.835 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.696 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.04 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 120.884 0.374 . . . . 0.0 111.567 175.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.753 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.0 t -95.97 -41.45 8.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.578 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.2 mm -123.54 30.06 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.896 0.855 . . . . 0.0 109.409 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.79 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -38.7 163.31 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.921 -1.491 . . . . 0.0 113.514 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.404 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -46.13 -25.1 1.68 Allowed Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.124 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.92 27.26 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.271 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.603 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 10.9 p . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.97 0.385 . . . . 0.0 111.058 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.484 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.4 tpp . . . . . 0 CA--C 1.511 -0.523 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.02 16.98 5.05 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.7 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -23.9 144.18 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.503 0 CA-C-O 125.237 2.446 . . . . 0.0 115.429 -177.183 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.528 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.6 -3.23 1.81 Allowed Glycine 0 C--N 1.272 -2.997 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.922 -176.409 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.585 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.31 -3.22 25.89 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.29 -1.955 . . . . 0.0 109.195 178.391 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.853 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -81.97 0.11 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.14 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.713 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.55 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.885 0.374 . . . . 0.0 111.444 175.745 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.733 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.5 t -98.53 -40.45 8.23 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.003 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.58 ' H ' HG21 ' A' ' 8' ' ' THR . 13.9 mm -128.39 31.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.994 0.902 . . . . 0.0 109.714 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.761 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.7 tp -35.62 154.09 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.863 -1.517 . . . . 0.0 113.682 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.4 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -45.22 -43.76 9.64 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.138 -1.392 . . . . 0.0 112.481 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.31 18.51 11.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.019 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.559 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER . . . . . 0 CA--C 1.509 -0.617 0 CA-C-O 120.438 0.161 . . . . 0.0 111.362 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 60.32 16.91 6.61 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -178.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.697 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -23.89 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 125.317 2.484 . . . . 0.0 115.502 -177.108 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.521 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.38 -3.09 1.85 Allowed Glycine 0 C--N 1.274 -2.874 1 CA-C-N 107.495 -4.412 . . . . 0.0 106.018 -176.309 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.58 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.46 -3.11 25.84 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 112.235 -1.983 . . . . 0.0 109.122 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.846 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.35 -82.26 0.1 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.011 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.716 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.08 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.907 0.384 . . . . 0.0 111.472 175.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.731 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.2 t -97.86 -40.82 8.33 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.584 ' H ' HG21 ' A' ' 8' ' ' THR . 13.8 mm -126.84 30.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 109.607 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 18.3 tp -36.57 156.13 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.68 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.0 -41.22 10.57 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 114.154 -1.384 . . . . 0.0 112.466 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.83 17.12 9.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.949 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp -145.87 10.12 1.18 Allowed 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 120.531 0.205 . . . . 0.0 111.357 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.34 17.15 5.6 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.698 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -24.25 144.52 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.582 0 CA-C-O 125.236 2.446 . . . . 0.0 115.492 -177.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.532 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.52 1.93 Allowed Glycine 0 C--N 1.273 -2.957 1 CA-C-N 107.529 -4.396 . . . . 0.0 105.937 -176.32 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.64 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.21 -2.97 26.39 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 112.213 -1.993 . . . . 0.0 109.142 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.846 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.32 -78.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.561 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.67 HE21 ' N ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -29.1 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 175.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.8 t -95.87 -36.84 10.96 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-O 121.047 0.451 . . . . 0.0 111.267 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.9 mm -113.68 -41.27 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.886 0.851 . . . . 0.0 109.824 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 48.05 168.28 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.634 -1.621 . . . . 0.0 113.714 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -52.77 -20.81 8.46 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 114.303 -1.317 . . . . 0.0 112.45 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.14 35.06 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.585 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.455 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.5 p -59.06 140.56 17.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.877 0.37 . . . . 0.0 111.158 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -131.71 11.54 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -77.61 -7.21 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -104.06 176.76 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.6 t -81.72 167.15 19.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.4 p -65.21 104.27 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 t -166.6 11.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.765 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.6 pt -110.14 -174.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.35 -145.42 35.94 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.575 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.834 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.518 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -91.22 10.1 28.53 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 122.972 0.17 . . . . 0.0 111.29 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.28 17.19 5.55 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 -179.216 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.701 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.28 144.51 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.523 0 CA-C-O 125.31 2.481 . . . . 0.0 115.422 -177.059 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.515 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.35 -3.6 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.483 -4.417 . . . . 0.0 105.924 -176.321 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.628 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.08 -3.0 26.52 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 112.26 -1.97 . . . . 0.0 109.167 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.843 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.53 -78.5 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.534 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.666 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.84 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.2 175.713 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.644 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.0 t -95.35 -37.17 11.09 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.113 0.482 . . . . 0.0 111.225 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.0 mm -112.81 -41.87 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.968 0.89 . . . . 0.0 109.797 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.23 170.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.58 -1.646 . . . . 0.0 113.599 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -51.91 -22.03 8.5 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.573 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.01 29.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.839 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' HB ' HD23 ' A' ' 10' ' ' LEU . 7.6 p -63.31 147.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 111.039 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -149.74 95.62 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -153.46 2.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -97.54 -179.76 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -73.85 178.3 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 p -90.32 13.52 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.044 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -84.64 11.25 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 pt -107.21 -172.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.33 174.01 43.1 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.51 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -145.39 10.13 1.25 Allowed 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 123.042 0.214 . . . . 0.0 111.309 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.22 5.57 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -179.284 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.705 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.29 144.67 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.574 0 CA-C-O 125.24 2.448 . . . . 0.0 115.385 -177.106 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.528 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.0 -3.44 1.99 Allowed Glycine 0 C--N 1.272 -2.975 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.93 -176.341 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.624 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.15 -3.06 26.34 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 112.215 -1.992 . . . . 0.0 109.104 178.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.816 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.46 -78.44 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.518 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.68 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.75 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 175.714 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.656 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.0 t -95.53 -37.33 10.92 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.988 0.423 . . . . 0.0 111.196 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.552 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.8 mm -112.47 -41.67 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.931 0.872 . . . . 0.0 109.852 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.2 tp 47.84 169.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.562 -1.653 . . . . 0.0 113.668 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.409 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -53.42 -21.9 14.39 Favored Glycine 0 N--CA 1.436 -1.344 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.553 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.52 31.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.741 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.465 ' HB ' HD23 ' A' ' 10' ' ' LEU . 14.9 p -60.53 146.45 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -102.23 101.02 11.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' HE2' HG21 ' A' ' 13' ' ' VAL . 68.4 mttm -143.43 -5.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -85.05 2.83 41.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 m 58.77 -173.2 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.7 p -75.4 -161.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m 64.92 12.34 7.74 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.5 pt -109.08 -169.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.015 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.87 -172.82 41.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.545 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.839 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.519 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -147.9 10.02 0.91 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 120.491 0.186 . . . . 0.0 111.302 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.19 5.55 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.214 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.706 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.538 0 CA-C-O 125.306 2.479 . . . . 0.0 115.392 -177.104 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.525 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.18 -3.38 1.94 Allowed Glycine 0 C--N 1.273 -2.939 1 CA-C-N 107.454 -4.43 . . . . 0.0 105.903 -176.32 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.628 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.3 -2.96 26.26 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.244 -1.978 . . . . 0.0 109.126 178.354 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.834 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.56 -78.32 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.559 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.675 HE21 ' N ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -28.77 -29.57 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.172 175.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.653 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.1 t -95.27 -37.54 10.95 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 121.135 0.493 . . . . 0.0 111.224 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.1 mm -112.09 -41.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.98 0.895 . . . . 0.0 109.865 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.11 169.65 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.581 -1.645 . . . . 0.0 113.651 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -52.51 -22.67 11.56 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.644 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 30.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.801 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG21 ' H ' ' A' ' 15' ' ' LYS . 9.4 p -62.81 150.88 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.759 0.314 . . . . 0.0 111.029 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -101.3 15.69 27.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.579 ' H ' HG21 ' A' ' 13' ' ' VAL . 57.1 mtpt -100.28 103.98 15.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.014 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -143.75 174.61 10.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.7 m -126.5 -5.19 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.748 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.8 p -133.28 123.39 25.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -57.09 143.89 36.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 pt -143.74 -171.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.279 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.15 -102.11 0.96 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.6 mptt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp -144.98 10.14 1.32 Allowed 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 120.54 0.21 . . . . 0.0 111.333 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.29 17.2 5.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.699 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -24.32 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.588 0 CA-C-O 125.255 2.455 . . . . 0.0 115.463 -177.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.532 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.58 -3.74 1.88 Allowed Glycine 0 C--N 1.273 -2.952 1 CA-C-N 107.485 -4.416 . . . . 0.0 105.962 -176.319 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.635 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.02 -3.06 26.52 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 112.218 -1.991 . . . . 0.0 109.233 178.39 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.843 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.27 -78.46 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.568 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.671 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -29.09 -29.27 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 175.71 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.65 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.5 t -95.86 -36.93 10.94 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-O 121.03 0.443 . . . . 0.0 111.32 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 6' ' ' LEU . 45.7 mm -113.53 -41.22 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.904 0.859 . . . . 0.0 109.873 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.769 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 47.47 168.63 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.659 -1.61 . . . . 0.0 113.708 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.421 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -54.41 -20.29 15.95 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.29 -1.323 . . . . 0.0 112.329 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.33 35.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.485 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 15' ' ' LYS . 7.3 p -57.86 140.86 15.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.341 . . . . 0.0 111.244 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -129.33 14.41 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' H ' HG22 ' A' ' 13' ' ' VAL . 28.5 mtpp -72.38 -10.61 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -96.75 -72.25 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t 54.06 78.41 0.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.081 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.618 ' H ' HG13 ' A' ' 20' ' ' ILE . 60.9 m -158.22 91.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 t 59.64 13.03 3.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.618 HG13 ' H ' ' A' ' 18' ' ' THR . 2.9 pp -108.92 177.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.378 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.99 -111.29 3.94 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.056 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.514 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp -97.67 10.1 40.84 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 123.028 0.205 . . . . 0.0 111.368 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.31 17.14 5.56 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -179.239 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.703 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.23 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.583 0 CA-C-O 125.279 2.466 . . . . 0.0 115.466 -177.019 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.533 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.44 -3.51 1.89 Allowed Glycine 0 C--N 1.274 -2.9 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.961 -176.351 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.594 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.12 -3.46 25.83 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 112.339 -1.931 . . . . 0.0 109.195 178.361 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.827 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.62 -83.29 0.09 Allowed 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.883 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.704 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.3 -32.82 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 120.836 0.35 . . . . 0.0 111.571 175.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.755 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.0 t -96.5 -40.94 8.82 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.239 0.542 . . . . 0.0 111.861 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.574 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.1 mm -124.97 30.34 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.944 0.878 . . . . 0.0 109.455 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.786 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.9 tp -38.46 162.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.922 -1.49 . . . . 0.0 113.401 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.57 -24.0 1.57 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 114.149 -1.387 . . . . 0.0 112.972 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.56 30.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.099 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 6.2 p -61.8 136.94 24.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 111.05 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.48 87.8 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -137.46 -16.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -97.63 150.19 21.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 t -80.37 -57.32 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.8 p -70.96 101.42 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.1 p -61.34 147.72 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.688 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 pt -143.14 20.15 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.235 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.41 105.79 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.7 mptt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.345 -0.836 . . . . 0.0 111.021 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -111.26 10.1 21.71 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 123.04 0.212 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.21 17.21 5.49 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.705 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.25 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.56 0 CA-C-O 125.269 2.461 . . . . 0.0 115.485 -177.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.526 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.61 -3.7 1.87 Allowed Glycine 0 C--N 1.272 -3.005 1 CA-C-N 107.429 -4.441 . . . . 0.0 105.996 -176.266 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.593 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -102.99 -3.42 26.06 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 112.276 -1.962 . . . . 0.0 109.222 178.376 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.828 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.58 -83.37 0.09 Allowed 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.859 179.737 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.69 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -21.88 -33.14 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.877 0.37 . . . . 0.0 111.58 175.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.761 ' N ' ' O ' ' A' ' 6' ' ' LEU . 4.9 t -96.09 -41.37 8.76 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.226 0.536 . . . . 0.0 111.741 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.576 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.3 mm -123.48 29.93 2.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.007 0.908 . . . . 0.0 109.441 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.9 tp -38.42 162.92 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.837 -1.529 . . . . 0.0 113.547 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.45 -24.93 2.79 Favored Glycine 0 N--CA 1.437 -1.285 0 CA-C-N 114.024 -1.444 . . . . 0.0 113.343 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.58 25.16 0.24 Allowed Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.587 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.679 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 8.5 p -71.17 162.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.109 0.454 . . . . 0.0 110.769 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' N ' HG23 ' A' ' 13' ' ' VAL . 78.7 m-20 -61.91 -6.19 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.27 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 62.11 102.91 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -109.94 173.61 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.949 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.43 ' HG ' ' H ' ' A' ' 19' ' ' SER . 44.9 t -78.84 168.18 20.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 p -96.83 7.92 45.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.43 ' H ' ' HG ' ' A' ' 17' ' ' SER . 50.0 m -87.31 11.7 13.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.77 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 pt -108.03 -173.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.201 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.71 120.86 0.58 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.552 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 3.8 mptp? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -111.21 10.04 21.79 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 123.017 0.198 . . . . 0.0 111.281 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.41 17.03 5.59 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.706 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.1 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.534 0 CA-C-O 125.33 2.491 . . . . 0.0 115.46 -177.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.532 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.79 -3.57 1.8 Allowed Glycine 0 C--N 1.273 -2.928 1 CA-C-N 107.489 -4.414 . . . . 0.0 105.968 -176.389 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.586 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.0 -3.69 25.68 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 112.274 -1.963 . . . . 0.0 109.17 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.811 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.35 -83.74 0.08 Allowed 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.774 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.723 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -21.89 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 120.901 0.382 . . . . 0.0 111.688 175.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.746 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.0 t -95.63 -41.19 9.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-O 121.257 0.551 . . . . 0.0 111.826 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.58 ' H ' HG21 ' A' ' 8' ' ' THR . 14.6 mm -123.12 29.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.048 0.928 . . . . 0.0 109.4 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -39.43 164.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.376 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.07 -23.65 1.74 Allowed Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.834 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 31.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.954 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 7.4 p -62.59 141.12 18.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.807 0.336 . . . . 0.0 111.146 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -132.13 13.04 4.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.631 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -162.58 135.39 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -168.54 145.16 3.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -147.02 107.8 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.4 p 51.22 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.513 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.9 t 60.01 12.4 3.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 pt -124.15 18.58 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.43 167.34 26.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.56 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -145.56 9.99 1.22 Allowed 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 120.541 0.21 . . . . 0.0 111.374 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.39 17.14 5.66 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -179.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.7 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.27 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.536 0 CA-C-O 125.224 2.44 . . . . 0.0 115.438 -177.067 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.532 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.47 1.92 Allowed Glycine 0 C--N 1.273 -2.95 1 CA-C-N 107.527 -4.397 . . . . 0.0 105.934 -176.286 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.637 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.16 -3.08 26.31 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 112.296 -1.952 . . . . 0.0 109.164 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.81 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.55 -78.49 0.16 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.474 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.675 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.65 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.129 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.649 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.5 t -94.8 -37.77 11.08 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 121.075 0.464 . . . . 0.0 111.123 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.6 mm -111.62 -42.6 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.887 0.851 . . . . 0.0 109.784 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.6 tp 48.61 169.1 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.789 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.424 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -53.92 -22.94 21.17 Favored Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 114.262 -1.335 . . . . 0.0 112.702 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.08 33.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.914 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.492 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.4 p -73.12 3.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.154 0.502 . . . . 0.0 111.222 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -134.96 11.41 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.793 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.0 89.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -93.25 103.26 15.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.063 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.6 t -102.49 -34.03 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.5 p -133.87 153.56 51.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.81 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.8 p -52.5 131.3 33.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.761 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 pp -147.32 174.51 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.384 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.84 -143.7 4.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.6 pttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.02 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp -90.35 10.04 26.54 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.006 0.191 . . . . 0.0 111.298 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.25 17.16 5.5 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.709 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.22 144.49 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.545 0 CA-C-O 125.337 2.494 . . . . 0.0 115.397 -177.058 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.538 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.39 -3.71 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.46 -4.427 . . . . 0.0 105.951 -176.319 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.586 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -102.89 -3.57 26.02 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 112.268 -1.966 . . . . 0.0 109.211 178.356 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.826 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.42 -83.67 0.08 Allowed 'General case' 0 C--O 1.206 -1.218 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.863 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.701 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.01 -33.09 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 120.872 0.368 . . . . 0.0 111.619 175.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.753 ' N ' ' O ' ' A' ' 6' ' ' LEU . 4.9 t -95.95 -41.62 8.69 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.804 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.586 ' H ' HG21 ' A' ' 8' ' ' THR . 13.2 mm -123.3 29.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.029 0.919 . . . . 0.0 109.51 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.785 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp -38.49 161.95 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.899 -1.501 . . . . 0.0 113.62 -178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' HA3' ' HZ1' ' A' ' 22' ' ' LYS . . . -50.82 -23.36 6.87 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.18 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.9 26.9 0.39 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.733 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.663 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 8.5 p -78.25 8.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.204 0.526 . . . . 0.0 110.731 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -169.64 -17.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.716 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt 59.55 97.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.05 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -106.63 170.6 7.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 m -82.96 3.68 29.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.588 ' HB ' HG13 ' A' ' 20' ' ' ILE . 78.8 p -68.9 140.14 55.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 t -87.75 12.89 11.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.588 HG13 ' HB ' ' A' ' 18' ' ' THR . 2.9 pp -103.92 174.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.455 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.55 -91.99 1.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HZ1' ' HA3' ' A' ' 11' ' ' GLY . 47.7 mmtm . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.516 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -106.27 9.9 31.89 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 120.509 0.195 . . . . 0.0 111.362 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.27 17.18 5.54 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.701 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.15 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.532 0 CA-C-O 125.244 2.45 . . . . 0.0 115.445 -177.128 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.518 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.25 -3.26 1.91 Allowed Glycine 0 C--N 1.272 -2.985 1 CA-C-N 107.492 -4.413 . . . . 0.0 105.994 -176.318 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.583 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.38 -3.3 25.68 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 112.227 -1.987 . . . . 0.0 109.193 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.801 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.07 -82.34 0.1 Allowed 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.952 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.696 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.35 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 175.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.75 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.2 t -97.74 -40.96 8.31 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.964 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.563 ' H ' HG21 ' A' ' 8' ' ' THR . 13.5 mm -125.58 30.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.964 0.888 . . . . 0.0 109.671 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.95 155.92 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.475 . . . . 0.0 113.586 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -56.53 -20.37 30.58 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.286 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' H ' ' HG ' ' A' ' 10' ' ' LEU . . . -126.01 -23.96 1.55 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.375 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.638 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.4 p -55.22 153.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.268 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.441 ' HB3' HD13 ' A' ' 20' ' ' ILE . 21.6 p-10 -138.17 109.26 6.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -166.73 -5.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.994 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -96.37 -35.81 11.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 t -169.33 147.45 3.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.3 m -96.67 92.69 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -158.38 11.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.671 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.441 HD13 ' HB3' ' A' ' 14' ' ' ASN . 28.3 pt -112.73 -173.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.035 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.74 -111.47 3.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.541 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.525 ' HD3' ' H ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.974 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.4 tpp -88.92 10.08 22.6 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 122.986 0.179 . . . . 0.0 111.257 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.3 17.18 5.57 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.696 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -24.26 144.39 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.594 0 CA-C-O 125.214 2.435 . . . . 0.0 115.398 -177.074 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.53 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.31 -3.36 1.9 Allowed Glycine 0 C--N 1.272 -2.995 1 CA-C-N 107.567 -4.379 . . . . 0.0 106.011 -176.244 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.64 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.15 -3.19 26.16 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 112.193 -2.004 . . . . 0.0 109.127 178.298 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.835 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.54 -78.36 0.16 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.442 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.672 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.97 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 175.722 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.9 t -95.21 -37.2 11.14 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.147 0.499 . . . . 0.0 111.18 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.546 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.7 mm -112.38 -42.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.886 0.85 . . . . 0.0 109.82 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.8 tp 47.5 169.9 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.528 -1.669 . . . . 0.0 113.707 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.408 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -55.76 -20.32 24.82 Favored Glycine 0 N--CA 1.434 -1.444 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.293 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.08 35.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.587 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.436 ' HB ' HD23 ' A' ' 10' ' ' LEU . 7.5 p -58.81 143.97 12.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.801 0.334 . . . . 0.0 111.272 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -135.51 15.55 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.805 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' H ' HG21 ' A' ' 13' ' ' VAL . 53.1 mtmt -74.76 -12.18 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -83.75 138.22 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.2 m -63.96 -52.59 59.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 20' ' ' ILE . 26.4 m -65.37 152.06 44.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.474 ' O ' HG12 ' A' ' 20' ' ' ILE . 10.7 t -76.56 2.85 12.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.518 ' H ' HG22 ' A' ' 18' ' ' THR . 4.8 pt 45.39 -169.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.186 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' N ' HG13 ' A' ' 20' ' ' ILE . . . 99.6 -65.59 0.63 Allowed Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.519 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 mttm . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.027 -179.776 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp -90.77 10.04 27.63 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 122.99 0.181 . . . . 0.0 111.301 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.35 17.17 5.63 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.705 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.15 144.42 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.561 0 CA-C-O 125.234 2.445 . . . . 0.0 115.444 -177.146 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.531 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.36 -3.48 1.9 Allowed Glycine 0 C--N 1.272 -3.006 1 CA-C-N 107.523 -4.398 . . . . 0.0 105.924 -176.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.638 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.12 -2.97 26.51 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 112.232 -1.984 . . . . 0.0 109.14 178.331 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.824 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.42 -78.47 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.531 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.673 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.73 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 175.771 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.653 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.0 t -95.2 -37.53 10.99 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.045 0.45 . . . . 0.0 111.107 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.4 mm -112.16 -42.27 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.967 0.889 . . . . 0.0 109.836 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.62 169.47 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.662 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -51.71 -22.77 9.01 Favored Glycine 0 N--CA 1.437 -1.289 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.664 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.37 32.48 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.133 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . 3.7 p -79.21 13.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.984 0.421 . . . . 0.0 111.072 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -82.34 86.35 6.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.288 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -129.76 -4.75 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.577 179.636 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -121.68 -25.0 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.3 t 65.21 144.56 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.5 m 64.85 121.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.272 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.6 p -54.78 144.06 23.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 pt -142.86 19.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.308 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.61 -78.96 0.21 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.532 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.853 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.575 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 1.3 ttt -90.73 11.93 20.75 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.468 0.175 . . . . 0.0 111.351 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 60.22 17.05 6.6 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.702 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.541 0 CA-C-O 125.335 2.493 . . . . 0.0 115.438 -177.095 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.523 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.21 -3.24 1.92 Allowed Glycine 0 C--N 1.273 -2.967 1 CA-C-N 107.476 -4.42 . . . . 0.0 105.955 -176.292 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.628 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.2 -3.08 26.24 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 112.321 -1.939 . . . . 0.0 109.163 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.805 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.66 -78.54 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.485 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.671 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.86 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 175.743 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.2 t -95.1 -37.47 11.07 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 121.102 0.477 . . . . 0.0 111.156 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.555 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.6 mm -112.32 -42.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.877 0.846 . . . . 0.0 109.792 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.4 tp 47.94 171.13 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.639 -1.619 . . . . 0.0 113.621 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -52.51 -22.04 10.26 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.576 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.47 28.8 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.844 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 15' ' ' LYS . 9.6 p -65.26 157.41 5.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 66.65 -4.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.514 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 13' ' ' VAL . 32.5 mmmt 53.44 93.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.222 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -152.17 174.13 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.5 m -98.81 -61.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -134.98 -162.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.5 m -48.47 146.97 2.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.3 pt -135.22 178.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.214 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.96 60.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.602 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.9 mptt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp -144.74 10.01 1.36 Allowed 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 123.039 0.212 . . . . 0.0 111.34 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.32 17.2 5.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.704 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.14 144.44 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.254 2.454 . . . . 0.0 115.402 -177.081 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.521 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.25 1.9 Allowed Glycine 0 C--N 1.274 -2.902 1 CA-C-N 107.479 -4.419 . . . . 0.0 105.93 -176.364 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.574 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.42 -3.29 25.65 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.238 -1.981 . . . . 0.0 109.194 178.394 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.807 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.15 -82.03 0.1 Allowed 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.03 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.702 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.55 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.494 175.811 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.746 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.5 t -98.0 -40.54 8.41 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.558 ' H ' HG21 ' A' ' 8' ' ' THR . 18.4 mm -126.71 30.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 122.092 0.948 . . . . 0.0 109.767 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.97 156.13 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.581 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.421 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -56.04 -19.34 22.67 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 113.813 -1.54 . . . . 0.0 113.422 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.64 -23.67 1.07 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.568 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.63 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.3 p -54.95 159.19 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.293 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -121.16 108.6 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -140.42 -11.74 1.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -64.05 -69.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.6 m -154.33 -75.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 p -141.98 -67.25 0.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.8 p -87.23 149.71 24.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.7 pt -140.29 19.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.202 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.83 -67.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.527 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.514 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt -136.0 9.98 3.3 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 122.978 0.173 . . . . 0.0 111.238 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.24 17.23 5.54 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.698 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.21 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.297 2.475 . . . . 0.0 115.408 -177.136 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.528 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.57 1.94 Allowed Glycine 0 C--N 1.274 -2.914 1 CA-C-N 107.525 -4.398 . . . . 0.0 105.945 -176.34 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.633 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.03 -3.11 26.44 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 112.228 -1.986 . . . . 0.0 109.119 178.334 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.799 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -78.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.526 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.671 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.8 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 175.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.65 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.0 t -95.18 -37.44 11.04 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 121.059 0.456 . . . . 0.0 111.193 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.1 mm -112.3 -42.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.977 0.894 . . . . 0.0 109.858 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.3 tp 48.71 168.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.541 -1.663 . . . . 0.0 113.723 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -53.22 -23.08 16.13 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.645 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 14' ' ' ASN . . . 177.58 35.27 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.948 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.488 ' HB ' HD23 ' A' ' 10' ' ' LEU . 6.0 p -75.57 11.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.138 0.494 . . . . 0.0 111.243 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.412 ' H ' ' C ' ' A' ' 12' ' ' GLY . 36.1 m-80 -70.94 103.93 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -153.58 -1.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -90.03 165.77 13.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -141.65 -48.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p -126.62 -168.22 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 20' ' ' ILE . 50.9 m 59.75 -139.86 0.66 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.467 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 19' ' ' SER . 6.5 pt 46.45 -169.45 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 122.83 0.452 . . . . 0.0 112.044 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 20' ' ' ILE . . . 76.97 173.02 37.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.469 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.7 mptt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt -144.38 9.99 1.44 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 120.504 0.192 . . . . 0.0 111.35 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.33 17.25 5.68 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.698 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.43 144.64 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.52 0 CA-C-O 125.294 2.473 . . . . 0.0 115.396 -177.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.525 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.15 -3.53 1.96 Allowed Glycine 0 C--N 1.273 -2.918 1 CA-C-N 107.477 -4.42 . . . . 0.0 105.927 -176.303 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.636 ' O ' HG21 ' A' ' 8' ' ' THR . 1.0 OUTLIER -103.05 -3.1 26.42 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.212 -1.994 . . . . 0.0 109.158 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.851 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.48 -78.69 0.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.445 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.68 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.54 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.227 175.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.656 ' N ' ' O ' ' A' ' 6' ' ' LEU . 9.0 t -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.036 0.446 . . . . 0.0 111.101 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 6' ' ' LEU . 47.3 mm -112.2 -42.23 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.867 0.842 . . . . 0.0 109.683 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.2 tp 47.67 171.77 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.593 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.409 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -52.32 -21.39 8.46 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.373 -1.285 . . . . 0.0 112.51 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.49 28.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.855 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 10.0 p -65.03 152.72 8.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.832 0.349 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -149.17 -19.36 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -93.67 125.59 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -143.47 -65.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 t -162.84 -65.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.9 p -97.14 -173.05 2.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.462 ' O ' HG12 ' A' ' 20' ' ' ILE . 9.6 m -78.01 3.72 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 19' ' ' SER . 4.8 pt 45.86 -169.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.218 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 20' ' ' ILE . . . 150.19 68.31 0.01 OUTLIER Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.083 -0.961 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp -90.85 9.96 28.16 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 123.031 0.207 . . . . 0.0 111.26 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.36 17.28 5.74 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.703 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.38 144.22 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-O 125.204 2.431 . . . . 0.0 115.504 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.534 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.63 -3.53 1.84 Allowed Glycine 0 C--N 1.273 -2.97 1 CA-C-N 107.524 -4.398 . . . . 0.0 105.95 -176.328 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.594 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.09 -3.5 25.81 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 112.254 -1.973 . . . . 0.0 109.183 178.345 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.829 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.48 -83.52 0.09 Allowed 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.835 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.696 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.04 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 120.884 0.374 . . . . 0.0 111.567 175.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.753 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.0 t -95.97 -41.45 8.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.578 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.2 mm -123.54 30.06 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.896 0.855 . . . . 0.0 109.409 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.79 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -38.7 163.31 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.921 -1.491 . . . . 0.0 113.514 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -46.13 -25.1 1.68 Allowed Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.124 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.92 27.26 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.271 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.603 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 10.9 p -66.01 144.75 14.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.97 0.385 . . . . 0.0 111.058 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -133.74 89.38 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -142.08 -4.73 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -95.41 149.72 21.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.7 m -138.55 105.86 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.7 p 51.52 -170.09 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.393 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' HG12 ' A' ' 20' ' ' ILE . 51.6 m 56.67 -135.7 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 19' ' ' SER . 8.6 pt 45.67 22.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.182 0 O-C-N 123.44 0.463 . . . . 0.0 112.139 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.77 -73.65 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.583 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 pttt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.417 -0.801 . . . . 0.0 111.023 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.484 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.4 tpp 58.63 8.08 0.84 Allowed 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.02 16.98 5.05 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.7 ' CE3' HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -23.9 144.18 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.503 0 CA-C-O 125.237 2.446 . . . . 0.0 115.429 -177.183 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.528 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.6 -3.23 1.81 Allowed Glycine 0 C--N 1.272 -2.997 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.922 -176.409 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.585 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.31 -3.22 25.89 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.29 -1.955 . . . . 0.0 109.195 178.391 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.853 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -81.97 0.11 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.14 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.713 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.55 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.885 0.374 . . . . 0.0 111.444 175.745 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.733 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.5 t -98.53 -40.45 8.23 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.003 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.58 ' H ' HG21 ' A' ' 8' ' ' THR . 13.9 mm -128.39 31.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.994 0.902 . . . . 0.0 109.714 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.761 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.7 tp -35.62 154.09 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.863 -1.517 . . . . 0.0 113.682 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' H ' ' CD1' ' A' ' 10' ' ' LEU . . . -45.22 -43.76 9.64 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.138 -1.392 . . . . 0.0 112.481 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.31 18.51 11.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.019 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -37.45 139.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -178.19 4.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.778 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -63.84 -10.01 18.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.409 ' ND1' HG22 ' A' ' 20' ' ' ILE . 53.4 m80 -64.19 174.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 p -59.71 -62.83 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.7 m -147.23 -75.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p -68.84 163.98 23.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.561 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.409 HG22 ' ND1' ' A' ' 16' ' ' HIS . 26.0 pt -143.92 161.3 15.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.19 105.34 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.559 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -145.83 11.65 1.25 Allowed 'General case' 0 CA--C 1.509 -0.617 0 O-C-N 122.997 0.186 . . . . 0.0 111.362 . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 60.32 16.91 6.61 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -178.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.697 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -23.89 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 125.317 2.484 . . . . 0.0 115.502 -177.108 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.521 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.38 -3.09 1.85 Allowed Glycine 0 C--N 1.274 -2.874 1 CA-C-N 107.495 -4.412 . . . . 0.0 106.018 -176.309 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.58 ' O ' HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -103.46 -3.11 25.84 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 112.235 -1.983 . . . . 0.0 109.122 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.846 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.35 -82.26 0.1 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.011 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.716 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.08 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.907 0.384 . . . . 0.0 111.472 175.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.731 ' N ' ' O ' ' A' ' 6' ' ' LEU . 5.2 t -97.86 -40.82 8.33 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.584 ' H ' HG21 ' A' ' 8' ' ' THR . 13.8 mm -126.84 30.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 109.607 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 18.3 tp -36.57 156.13 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.68 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.0 -41.22 10.57 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 114.154 -1.384 . . . . 0.0 112.466 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.83 17.12 9.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.949 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.95 142.07 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -177.64 -13.51 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.84 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -141.46 151.03 43.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -138.37 137.44 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 t -78.65 -8.44 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -133.33 119.35 19.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -57.8 144.53 38.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.665 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 pt -143.9 20.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.298 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.21 155.09 22.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.549 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.497 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp . . . . . 0 CA--C 1.509 -0.621 0 CA-C-O 120.531 0.205 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.34 17.15 5.6 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.684 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.25 144.52 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.582 0 CA-C-O 125.236 2.446 . . . . 0.0 115.492 -177.103 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.556 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.52 1.93 Allowed Glycine 0 C--N 1.273 -2.957 1 CA-C-N 107.529 -4.396 . . . . 0.0 105.937 -176.32 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.615 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.21 -2.97 26.39 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 112.213 -1.993 . . . . 0.0 109.142 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.939 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.32 -78.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.561 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.723 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -29.1 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 175.724 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.765 HG23 HG12 ' A' ' 9' ' ' ILE . 9.8 t -95.87 -36.84 10.96 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-O 121.047 0.451 . . . . 0.0 111.267 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.765 HG12 HG23 ' A' ' 8' ' ' THR . 47.9 mm -113.68 -41.27 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.886 0.851 . . . . 0.0 109.824 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 48.05 168.28 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.634 -1.621 . . . . 0.0 113.714 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.77 -20.81 8.46 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 114.303 -1.317 . . . . 0.0 112.45 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.14 35.06 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.585 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.575 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.5 p . . . . . 0 C--N 1.332 -0.176 0 CA-C-O 120.877 0.37 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 120.435 0.16 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.28 17.19 5.55 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 -179.216 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.688 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.28 144.51 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.523 0 CA-C-O 125.31 2.481 . . . . 0.0 115.422 -177.059 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.553 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.35 -3.6 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.483 -4.417 . . . . 0.0 105.924 -176.321 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.619 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.08 -3.0 26.52 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 112.26 -1.97 . . . . 0.0 109.167 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.95 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.53 -78.5 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.534 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.709 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.84 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.2 175.713 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.778 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.35 -37.17 11.09 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.113 0.482 . . . . 0.0 111.225 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 8' ' ' THR . 46.0 mm -112.81 -41.87 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.968 0.89 . . . . 0.0 109.797 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.23 170.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.58 -1.646 . . . . 0.0 113.599 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -51.91 -22.03 8.5 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.573 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.01 29.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.839 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 9' ' ' ILE . 7.6 p . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 111.039 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.612 0 CA-C-O 120.512 0.196 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.22 5.57 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -179.284 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.69 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.29 144.67 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.574 0 CA-C-O 125.24 2.448 . . . . 0.0 115.385 -177.106 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.561 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.0 -3.44 1.99 Allowed Glycine 0 C--N 1.272 -2.975 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.93 -176.341 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.63 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.15 -3.06 26.34 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 112.215 -1.992 . . . . 0.0 109.104 178.38 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.933 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.46 -78.44 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.518 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.716 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.75 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 175.714 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.777 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.53 -37.33 10.92 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.988 0.423 . . . . 0.0 111.196 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.777 HG12 HG23 ' A' ' 8' ' ' THR . 46.8 mm -112.47 -41.67 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.931 0.872 . . . . 0.0 109.852 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.2 tp 47.84 169.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.562 -1.653 . . . . 0.0 113.668 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.485 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.42 -21.9 14.39 Favored Glycine 0 N--CA 1.436 -1.344 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.553 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.52 31.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.741 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 9' ' ' ILE . 14.9 p . . . . . 0 C--N 1.332 -0.18 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.513 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.605 0 CA-C-O 120.491 0.186 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.19 5.55 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.214 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.538 0 CA-C-O 125.306 2.479 . . . . 0.0 115.392 -177.104 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.559 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.18 -3.38 1.94 Allowed Glycine 0 C--N 1.273 -2.939 1 CA-C-N 107.454 -4.43 . . . . 0.0 105.903 -176.32 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.626 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.3 -2.96 26.26 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.244 -1.978 . . . . 0.0 109.126 178.354 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.947 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.56 -78.32 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.559 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.715 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.77 -29.57 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.172 175.703 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.774 HG23 HG12 ' A' ' 9' ' ' ILE . 9.1 t -95.27 -37.54 10.95 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 121.135 0.493 . . . . 0.0 111.224 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.774 HG12 HG23 ' A' ' 8' ' ' THR . 47.1 mm -112.09 -41.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.98 0.895 . . . . 0.0 109.865 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.11 169.65 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.581 -1.645 . . . . 0.0 113.651 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.51 -22.67 11.56 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.644 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 30.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.801 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 9' ' ' ILE . 9.4 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.759 0.314 . . . . 0.0 111.029 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.493 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp . . . . . 0 CA--C 1.509 -0.603 0 CA-C-O 120.54 0.21 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.29 17.2 5.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.682 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.32 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.588 0 CA-C-O 125.255 2.455 . . . . 0.0 115.463 -177.069 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.549 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.58 -3.74 1.88 Allowed Glycine 0 C--N 1.273 -2.952 1 CA-C-N 107.485 -4.416 . . . . 0.0 105.962 -176.319 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.612 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.02 -3.06 26.52 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 112.218 -1.991 . . . . 0.0 109.233 178.39 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.936 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.27 -78.46 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.568 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.727 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -29.09 -29.27 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 175.71 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.785 HG23 HG12 ' A' ' 9' ' ' ILE . 9.5 t -95.86 -36.93 10.94 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-O 121.03 0.443 . . . . 0.0 111.32 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.785 HG12 HG23 ' A' ' 8' ' ' THR . 45.7 mm -113.53 -41.22 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.904 0.859 . . . . 0.0 109.873 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.769 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 47.47 168.63 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.659 -1.61 . . . . 0.0 113.708 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.494 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -54.41 -20.29 15.95 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.29 -1.323 . . . . 0.0 112.329 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.33 35.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.485 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 9' ' ' ILE . 7.3 p . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.341 . . . . 0.0 111.244 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 120.525 0.203 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.31 17.14 5.56 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -179.239 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.23 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.583 0 CA-C-O 125.279 2.466 . . . . 0.0 115.466 -177.019 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.56 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.44 -3.51 1.89 Allowed Glycine 0 C--N 1.274 -2.9 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.961 -176.351 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.64 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.12 -3.46 25.83 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 112.339 -1.931 . . . . 0.0 109.195 178.361 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.933 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.62 -83.29 0.09 Allowed 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.883 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.788 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.3 -32.82 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 120.836 0.35 . . . . 0.0 111.571 175.875 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.85 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -96.5 -40.94 8.82 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.239 0.542 . . . . 0.0 111.861 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.85 HG12 HG23 ' A' ' 8' ' ' THR . 14.1 mm -124.97 30.34 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.944 0.878 . . . . 0.0 109.455 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.786 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.9 tp -38.46 162.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.922 -1.49 . . . . 0.0 113.401 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.615 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.57 -24.0 1.57 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 114.149 -1.387 . . . . 0.0 112.972 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.56 30.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.099 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 6.2 p . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 111.05 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.501 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.622 0 CA-C-O 120.499 0.19 . . . . 0.0 111.335 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.21 17.21 5.49 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.25 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.56 0 CA-C-O 125.269 2.461 . . . . 0.0 115.485 -177.113 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.61 -3.7 1.87 Allowed Glycine 0 C--N 1.272 -3.005 1 CA-C-N 107.429 -4.441 . . . . 0.0 105.996 -176.266 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.634 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -102.99 -3.42 26.06 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 112.276 -1.962 . . . . 0.0 109.222 178.376 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.897 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.58 -83.37 0.09 Allowed 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.859 179.737 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.756 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -21.88 -33.14 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.877 0.37 . . . . 0.0 111.58 175.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.833 HG23 HG12 ' A' ' 9' ' ' ILE . 4.9 t -96.09 -41.37 8.76 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.226 0.536 . . . . 0.0 111.741 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.833 HG12 HG23 ' A' ' 8' ' ' THR . 14.3 mm -123.48 29.93 2.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.007 0.908 . . . . 0.0 109.441 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.9 tp -38.42 162.92 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.837 -1.529 . . . . 0.0 113.547 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.603 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -47.45 -24.93 2.79 Favored Glycine 0 N--CA 1.437 -1.285 0 CA-C-N 114.024 -1.444 . . . . 0.0 113.343 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.58 25.16 0.24 Allowed Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.587 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.689 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 8.5 p . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 117.109 0.454 . . . . 0.0 110.769 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.505 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.618 0 CA-C-O 120.483 0.182 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.41 17.03 5.59 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.1 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.534 0 CA-C-O 125.33 2.491 . . . . 0.0 115.46 -177.015 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.55 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.79 -3.57 1.8 Allowed Glycine 0 C--N 1.273 -2.928 1 CA-C-N 107.489 -4.414 . . . . 0.0 105.968 -176.389 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.624 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.0 -3.69 25.68 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 112.274 -1.963 . . . . 0.0 109.17 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.91 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.35 -83.74 0.08 Allowed 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.774 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.789 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -21.89 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 120.901 0.382 . . . . 0.0 111.688 175.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.839 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -95.63 -41.19 9.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-O 121.257 0.551 . . . . 0.0 111.826 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.839 HG12 HG23 ' A' ' 8' ' ' THR . 14.6 mm -123.12 29.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.048 0.928 . . . . 0.0 109.4 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -39.43 164.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.376 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.553 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -47.07 -23.65 1.74 Allowed Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.834 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 31.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.954 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 7.4 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.807 0.336 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.503 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 120.541 0.21 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.39 17.14 5.66 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -179.253 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.688 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.27 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.536 0 CA-C-O 125.224 2.44 . . . . 0.0 115.438 -177.067 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.56 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.47 1.92 Allowed Glycine 0 C--N 1.273 -2.95 1 CA-C-N 107.527 -4.397 . . . . 0.0 105.934 -176.286 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.624 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.16 -3.08 26.31 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 112.296 -1.952 . . . . 0.0 109.164 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.926 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.55 -78.49 0.16 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.474 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.7 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.65 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.129 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.776 HG23 HG12 ' A' ' 9' ' ' ILE . 9.5 t -94.8 -37.77 11.08 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 121.075 0.464 . . . . 0.0 111.123 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.776 HG12 HG23 ' A' ' 8' ' ' THR . 47.6 mm -111.62 -42.6 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.887 0.851 . . . . 0.0 109.784 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.6 tp 48.61 169.1 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.789 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.5 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.92 -22.94 21.17 Favored Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 114.262 -1.335 . . . . 0.0 112.702 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.08 33.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.914 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.603 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.4 p . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 121.154 0.502 . . . . 0.0 111.222 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp . . . . . 0 CA--C 1.508 -0.64 0 CA-C-O 120.469 0.176 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.25 17.16 5.5 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.698 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.22 144.49 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.545 0 CA-C-O 125.337 2.494 . . . . 0.0 115.397 -177.058 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.549 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.39 -3.71 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.46 -4.427 . . . . 0.0 105.951 -176.319 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.621 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -102.89 -3.57 26.02 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 112.268 -1.966 . . . . 0.0 109.211 178.356 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.897 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.42 -83.67 0.08 Allowed 'General case' 0 C--O 1.206 -1.218 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.863 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.789 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.01 -33.09 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 120.872 0.368 . . . . 0.0 111.619 175.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.851 HG23 HG12 ' A' ' 9' ' ' ILE . 4.9 t -95.95 -41.62 8.69 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.804 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.851 HG12 HG23 ' A' ' 8' ' ' THR . 13.2 mm -123.3 29.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.029 0.919 . . . . 0.0 109.51 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.785 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp -38.49 161.95 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.899 -1.501 . . . . 0.0 113.62 -178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.616 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -50.82 -23.36 6.87 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.18 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.9 26.9 0.39 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.733 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.676 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 8.5 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 121.204 0.526 . . . . 0.0 110.731 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.634 0 CA-C-O 120.509 0.195 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.27 17.18 5.54 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.15 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.532 0 CA-C-O 125.244 2.45 . . . . 0.0 115.445 -177.128 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.556 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.25 -3.26 1.91 Allowed Glycine 0 C--N 1.272 -2.985 1 CA-C-N 107.492 -4.413 . . . . 0.0 105.994 -176.318 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.38 -3.3 25.68 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 112.227 -1.987 . . . . 0.0 109.193 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.89 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.07 -82.34 0.1 Allowed 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.952 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.777 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.35 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 175.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.854 HG23 HG12 ' A' ' 9' ' ' ILE . 5.2 t -97.74 -40.96 8.31 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.964 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.854 HG12 HG23 ' A' ' 8' ' ' THR . 13.5 mm -125.58 30.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.964 0.888 . . . . 0.0 109.671 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.95 155.92 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.475 . . . . 0.0 113.586 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.733 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -56.53 -20.37 30.58 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.286 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.456 ' H ' ' HG ' ' A' ' 10' ' ' LEU . . . -126.01 -23.96 1.55 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.375 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.65 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.4 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.268 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.499 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.4 tpp . . . . . 0 CA--C 1.51 -0.586 0 CA-C-O 120.464 0.174 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.3 17.18 5.57 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 -179.188 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.679 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.26 144.39 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.594 0 CA-C-O 125.214 2.435 . . . . 0.0 115.398 -177.074 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.31 -3.36 1.9 Allowed Glycine 0 C--N 1.272 -2.995 1 CA-C-N 107.567 -4.379 . . . . 0.0 106.011 -176.244 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.616 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.15 -3.19 26.16 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 112.193 -2.004 . . . . 0.0 109.127 178.298 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.926 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.54 -78.36 0.16 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.442 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.725 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.97 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 175.722 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.769 HG23 HG12 ' A' ' 9' ' ' ILE . 9.9 t -95.21 -37.2 11.14 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.147 0.499 . . . . 0.0 111.18 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.769 HG12 HG23 ' A' ' 8' ' ' THR . 47.7 mm -112.38 -42.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.886 0.85 . . . . 0.0 109.82 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.8 tp 47.5 169.9 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.528 -1.669 . . . . 0.0 113.707 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.473 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -55.76 -20.32 24.82 Favored Glycine 0 N--CA 1.434 -1.444 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.293 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.08 35.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.587 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.541 ' HB ' HD23 ' A' ' 10' ' ' LEU . 7.5 p . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 120.801 0.334 . . . . 0.0 111.272 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.499 ' C ' ' N ' ' A' ' 3' ' ' TRP . 12.5 tpp . . . . . 0 CA--C 1.508 -0.635 0 CA-C-O 120.431 0.158 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.35 17.17 5.63 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.15 144.42 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.561 0 CA-C-O 125.234 2.445 . . . . 0.0 115.444 -177.146 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.557 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.36 -3.48 1.9 Allowed Glycine 0 C--N 1.272 -3.006 1 CA-C-N 107.523 -4.398 . . . . 0.0 105.924 -176.417 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.12 -2.97 26.51 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 112.232 -1.984 . . . . 0.0 109.14 178.331 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.898 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.42 -78.47 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.531 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.717 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.73 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 175.771 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.778 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.2 -37.53 10.99 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.045 0.45 . . . . 0.0 111.107 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 8' ' ' THR . 47.4 mm -112.16 -42.27 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.967 0.889 . . . . 0.0 109.836 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.62 169.47 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.662 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.515 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -51.71 -22.77 9.01 Favored Glycine 0 N--CA 1.437 -1.289 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.664 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.37 32.48 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.133 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 9' ' ' ILE . 3.7 p . . . . . 0 C--N 1.332 -0.195 0 CA-C-O 120.984 0.421 . . . . 0.0 111.072 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.572 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 1.3 ttt . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 120.468 0.175 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 60.22 17.05 6.6 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.864 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.541 0 CA-C-O 125.335 2.493 . . . . 0.0 115.438 -177.095 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.55 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.21 -3.24 1.92 Allowed Glycine 0 C--N 1.273 -2.967 1 CA-C-N 107.476 -4.42 . . . . 0.0 105.955 -176.292 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.636 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.2 -3.08 26.24 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 112.321 -1.939 . . . . 0.0 109.163 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.902 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.66 -78.54 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.485 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.735 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.86 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 175.743 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.779 HG23 HG12 ' A' ' 9' ' ' ILE . 9.2 t -95.1 -37.47 11.07 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 121.102 0.477 . . . . 0.0 111.156 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.779 HG12 HG23 ' A' ' 8' ' ' THR . 46.6 mm -112.32 -42.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.877 0.846 . . . . 0.0 109.792 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.4 tp 47.94 171.13 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.639 -1.619 . . . . 0.0 113.621 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.463 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.51 -22.04 10.26 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.576 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.47 28.8 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.844 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 9' ' ' ILE . 9.6 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.108 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 120.513 0.197 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.32 17.2 5.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.14 144.44 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.254 2.454 . . . . 0.0 115.402 -177.081 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.553 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.25 1.9 Allowed Glycine 0 C--N 1.274 -2.902 1 CA-C-N 107.479 -4.419 . . . . 0.0 105.93 -176.364 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.627 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.42 -3.29 25.65 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.238 -1.981 . . . . 0.0 109.194 178.394 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.896 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.15 -82.03 0.1 Allowed 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.03 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.779 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.55 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.494 175.811 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.826 HG23 HG12 ' A' ' 9' ' ' ILE . 5.5 t -98.0 -40.54 8.41 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.826 HG12 HG23 ' A' ' 8' ' ' THR . 18.4 mm -126.71 30.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 122.092 0.948 . . . . 0.0 109.767 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.97 156.13 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.581 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.743 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -56.04 -19.34 22.67 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 113.813 -1.54 . . . . 0.0 113.422 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.416 ' H ' ' HG ' ' A' ' 10' ' ' LEU . . . -129.64 -23.67 1.07 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.568 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.3 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.293 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 120.418 0.152 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.24 17.23 5.54 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.686 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.21 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.297 2.475 . . . . 0.0 115.408 -177.136 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.559 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.57 1.94 Allowed Glycine 0 C--N 1.274 -2.914 1 CA-C-N 107.525 -4.398 . . . . 0.0 105.945 -176.34 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.63 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.03 -3.11 26.44 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 112.228 -1.986 . . . . 0.0 109.119 178.334 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.899 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -78.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.526 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.73 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.8 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 175.768 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.775 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.18 -37.44 11.04 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 121.059 0.456 . . . . 0.0 111.193 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.775 HG12 HG23 ' A' ' 8' ' ' THR . 46.1 mm -112.3 -42.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.977 0.894 . . . . 0.0 109.858 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.3 tp 48.71 168.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.541 -1.663 . . . . 0.0 113.723 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.524 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.22 -23.08 16.13 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.645 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.58 35.27 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.948 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.585 ' HB ' HD23 ' A' ' 10' ' ' LEU . 6.0 p . . . . . 0 C--N 1.332 -0.168 0 CA-C-O 121.138 0.494 . . . . 0.0 111.243 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.508 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 120.504 0.192 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.33 17.25 5.68 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.43 144.64 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.52 0 CA-C-O 125.294 2.473 . . . . 0.0 115.396 -177.053 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.548 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.15 -3.53 1.96 Allowed Glycine 0 C--N 1.273 -2.918 1 CA-C-N 107.477 -4.42 . . . . 0.0 105.927 -176.303 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.606 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.05 -3.1 26.42 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.212 -1.994 . . . . 0.0 109.158 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.94 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.48 -78.69 0.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.445 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.7 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.54 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.227 175.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.767 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.036 0.446 . . . . 0.0 111.101 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.767 HG12 HG23 ' A' ' 8' ' ' THR . 47.3 mm -112.2 -42.23 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.867 0.842 . . . . 0.0 109.683 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.2 tp 47.67 171.77 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.593 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.456 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.32 -21.39 8.46 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.373 -1.285 . . . . 0.0 112.51 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.49 28.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.855 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 9' ' ' ILE . 10.0 p . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 120.832 0.349 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.505 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp . . . . . 0 CA--C 1.509 -0.6 0 CA-C-O 120.472 0.177 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.36 17.28 5.74 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.38 144.22 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-O 125.204 2.431 . . . . 0.0 115.504 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.555 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.63 -3.53 1.84 Allowed Glycine 0 C--N 1.273 -2.97 1 CA-C-N 107.524 -4.398 . . . . 0.0 105.95 -176.328 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.642 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.09 -3.5 25.81 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 112.254 -1.973 . . . . 0.0 109.183 178.345 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.937 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.48 -83.52 0.09 Allowed 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.835 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.788 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.04 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 120.884 0.374 . . . . 0.0 111.567 175.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.848 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -95.97 -41.45 8.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.848 HG12 HG23 ' A' ' 8' ' ' THR . 14.2 mm -123.54 30.06 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.896 0.855 . . . . 0.0 109.409 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.79 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -38.7 163.31 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.921 -1.491 . . . . 0.0 113.514 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.6 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.13 -25.1 1.68 Allowed Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.124 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.92 27.26 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.271 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 10.9 p . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.97 0.385 . . . . 0.0 111.058 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.481 ' C ' ' N ' ' A' ' 3' ' ' TRP . 12.4 tpp . . . . . 0 CA--C 1.511 -0.523 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.02 16.98 5.05 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -23.9 144.18 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.503 0 CA-C-O 125.237 2.446 . . . . 0.0 115.429 -177.183 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.552 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.6 -3.23 1.81 Allowed Glycine 0 C--N 1.272 -2.997 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.922 -176.409 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.623 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.31 -3.22 25.89 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.29 -1.955 . . . . 0.0 109.195 178.391 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.935 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -81.97 0.11 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.14 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.753 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.55 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.885 0.374 . . . . 0.0 111.444 175.745 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.805 HG23 HG12 ' A' ' 9' ' ' ILE . 5.5 t -98.53 -40.45 8.23 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.003 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.805 HG12 HG23 ' A' ' 8' ' ' THR . 13.9 mm -128.39 31.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.994 0.902 . . . . 0.0 109.714 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.781 HD12 ' H ' ' A' ' 11' ' ' GLY . 17.7 tp -35.62 154.09 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.863 -1.517 . . . . 0.0 113.682 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.781 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -45.22 -43.76 9.64 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.138 -1.392 . . . . 0.0 112.481 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.31 18.51 11.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.019 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.558 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER . . . . . 0 CA--C 1.509 -0.617 0 CA-C-O 120.438 0.161 . . . . 0.0 111.362 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 60.32 16.91 6.61 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -178.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -23.89 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 125.317 2.484 . . . . 0.0 115.502 -177.108 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.38 -3.09 1.85 Allowed Glycine 0 C--N 1.274 -2.874 1 CA-C-N 107.495 -4.412 . . . . 0.0 106.018 -176.309 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.628 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.46 -3.11 25.84 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 112.235 -1.983 . . . . 0.0 109.122 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.922 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.35 -82.26 0.1 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.011 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.753 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.08 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.907 0.384 . . . . 0.0 111.472 175.755 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.816 HG23 HG12 ' A' ' 9' ' ' ILE . 5.2 t -97.86 -40.82 8.33 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.816 HG12 HG23 ' A' ' 8' ' ' THR . 13.8 mm -126.84 30.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 109.607 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 18.3 tp -36.57 156.13 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.68 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.711 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.0 -41.22 10.57 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 114.154 -1.384 . . . . 0.0 112.466 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.83 17.12 9.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.949 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.497 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp -145.87 10.12 1.18 Allowed 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 120.531 0.205 . . . . 0.0 111.357 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.34 17.15 5.6 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.684 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.25 144.52 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.582 0 CA-C-O 125.236 2.446 . . . . 0.0 115.492 -177.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.556 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.52 1.93 Allowed Glycine 0 C--N 1.273 -2.957 1 CA-C-N 107.529 -4.396 . . . . 0.0 105.937 -176.32 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.615 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.21 -2.97 26.39 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 112.213 -1.993 . . . . 0.0 109.142 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.939 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.32 -78.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.561 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.723 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -29.1 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 175.724 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.765 HG23 HG12 ' A' ' 9' ' ' ILE . 9.8 t -95.87 -36.84 10.96 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-O 121.047 0.451 . . . . 0.0 111.267 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.765 HG12 HG23 ' A' ' 8' ' ' THR . 47.9 mm -113.68 -41.27 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.886 0.851 . . . . 0.0 109.824 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 48.05 168.28 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.634 -1.621 . . . . 0.0 113.714 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.77 -20.81 8.46 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 114.303 -1.317 . . . . 0.0 112.45 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.14 35.06 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.585 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.575 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.5 p -59.06 140.56 17.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.877 0.37 . . . . 0.0 111.158 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -131.71 11.54 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 13' ' ' VAL . 66.7 mttm -77.61 -7.21 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -104.06 176.76 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.6 t -81.72 167.15 19.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.4 p -65.21 104.27 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 t -166.6 11.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.765 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.6 pt -110.14 -174.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.35 -145.42 35.94 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.575 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.834 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -91.22 10.1 28.53 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 122.972 0.17 . . . . 0.0 111.29 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.28 17.19 5.55 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 -179.216 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.688 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.28 144.51 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.523 0 CA-C-O 125.31 2.481 . . . . 0.0 115.422 -177.059 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.553 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.35 -3.6 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.483 -4.417 . . . . 0.0 105.924 -176.321 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.619 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.08 -3.0 26.52 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 112.26 -1.97 . . . . 0.0 109.167 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.95 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.53 -78.5 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.534 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.709 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.84 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.2 175.713 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.778 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.35 -37.17 11.09 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.113 0.482 . . . . 0.0 111.225 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 8' ' ' THR . 46.0 mm -112.81 -41.87 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.968 0.89 . . . . 0.0 109.797 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.23 170.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.58 -1.646 . . . . 0.0 113.599 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -51.91 -22.03 8.5 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.573 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.01 29.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.839 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 9' ' ' ILE . 7.6 p -63.31 147.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 111.039 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -149.74 95.62 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -153.46 2.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -97.54 -179.76 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -73.85 178.3 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 p -90.32 13.52 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.044 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -84.64 11.25 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 pt -107.21 -172.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.33 174.01 43.1 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.51 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -145.39 10.13 1.25 Allowed 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 123.042 0.214 . . . . 0.0 111.309 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.22 5.57 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -179.284 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.69 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.29 144.67 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.574 0 CA-C-O 125.24 2.448 . . . . 0.0 115.385 -177.106 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.561 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.0 -3.44 1.99 Allowed Glycine 0 C--N 1.272 -2.975 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.93 -176.341 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.63 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.15 -3.06 26.34 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 112.215 -1.992 . . . . 0.0 109.104 178.38 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.933 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.46 -78.44 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.518 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.716 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.75 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 175.714 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.777 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.53 -37.33 10.92 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.988 0.423 . . . . 0.0 111.196 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.777 HG12 HG23 ' A' ' 8' ' ' THR . 46.8 mm -112.47 -41.67 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.931 0.872 . . . . 0.0 109.852 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.2 tp 47.84 169.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.562 -1.653 . . . . 0.0 113.668 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.42 -21.9 14.39 Favored Glycine 0 N--CA 1.436 -1.344 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.553 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.52 31.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.741 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 9' ' ' ILE . 14.9 p -60.53 146.45 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -102.23 101.02 11.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HE2' HG21 ' A' ' 13' ' ' VAL . 68.4 mttm -143.43 -5.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -85.05 2.83 41.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 m 58.77 -173.2 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.7 p -75.4 -161.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m 64.92 12.34 7.74 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.5 pt -109.08 -169.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.015 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.87 -172.82 41.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.545 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.839 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.513 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -147.9 10.02 0.91 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 120.491 0.186 . . . . 0.0 111.302 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.19 5.55 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.214 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.538 0 CA-C-O 125.306 2.479 . . . . 0.0 115.392 -177.104 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.559 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.18 -3.38 1.94 Allowed Glycine 0 C--N 1.273 -2.939 1 CA-C-N 107.454 -4.43 . . . . 0.0 105.903 -176.32 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.626 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.3 -2.96 26.26 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.244 -1.978 . . . . 0.0 109.126 178.354 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.947 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.56 -78.32 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.559 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.715 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.77 -29.57 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.172 175.703 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.774 HG23 HG12 ' A' ' 9' ' ' ILE . 9.1 t -95.27 -37.54 10.95 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 121.135 0.493 . . . . 0.0 111.224 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.774 HG12 HG23 ' A' ' 8' ' ' THR . 47.1 mm -112.09 -41.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.98 0.895 . . . . 0.0 109.865 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.11 169.65 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.581 -1.645 . . . . 0.0 113.651 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.51 -22.67 11.56 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.644 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 30.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.801 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.624 HG22 ' H ' ' A' ' 15' ' ' LYS . 9.4 p -62.81 150.88 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.759 0.314 . . . . 0.0 111.029 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -101.3 15.69 27.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.624 ' H ' HG22 ' A' ' 13' ' ' VAL . 57.1 mtpt -100.28 103.98 15.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.014 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -143.75 174.61 10.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.7 m -126.5 -5.19 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.748 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.8 p -133.28 123.39 25.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -57.09 143.89 36.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 pt -143.74 -171.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.279 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.15 -102.11 0.96 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.6 mptt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.493 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp -144.98 10.14 1.32 Allowed 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 120.54 0.21 . . . . 0.0 111.333 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.29 17.2 5.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.682 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.32 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.588 0 CA-C-O 125.255 2.455 . . . . 0.0 115.463 -177.069 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.549 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.58 -3.74 1.88 Allowed Glycine 0 C--N 1.273 -2.952 1 CA-C-N 107.485 -4.416 . . . . 0.0 105.962 -176.319 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.612 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.02 -3.06 26.52 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 112.218 -1.991 . . . . 0.0 109.233 178.39 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.936 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.27 -78.46 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.568 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.727 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -29.09 -29.27 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 175.71 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.785 HG23 HG12 ' A' ' 9' ' ' ILE . 9.5 t -95.86 -36.93 10.94 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-O 121.03 0.443 . . . . 0.0 111.32 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.785 HG12 HG23 ' A' ' 8' ' ' THR . 45.7 mm -113.53 -41.22 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.904 0.859 . . . . 0.0 109.873 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.769 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 47.47 168.63 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.659 -1.61 . . . . 0.0 113.708 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.494 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -54.41 -20.29 15.95 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.29 -1.323 . . . . 0.0 112.329 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.33 35.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.485 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 9' ' ' ILE . 7.3 p -57.86 140.86 15.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.341 . . . . 0.0 111.244 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -129.33 14.41 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.496 ' H ' HG22 ' A' ' 13' ' ' VAL . 28.5 mtpp -72.38 -10.61 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -96.75 -72.25 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t 54.06 78.41 0.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.081 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.685 ' H ' HG13 ' A' ' 20' ' ' ILE . 60.9 m -158.22 91.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 t 59.64 13.03 3.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.685 HG13 ' H ' ' A' ' 18' ' ' THR . 2.9 pp -108.92 177.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.378 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.99 -111.29 3.94 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.056 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp -97.67 10.1 40.84 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 123.028 0.205 . . . . 0.0 111.368 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.31 17.14 5.56 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -179.239 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.23 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.583 0 CA-C-O 125.279 2.466 . . . . 0.0 115.466 -177.019 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.56 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.44 -3.51 1.89 Allowed Glycine 0 C--N 1.274 -2.9 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.961 -176.351 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.64 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.12 -3.46 25.83 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 112.339 -1.931 . . . . 0.0 109.195 178.361 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.933 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.62 -83.29 0.09 Allowed 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.883 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.788 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.3 -32.82 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 120.836 0.35 . . . . 0.0 111.571 175.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.85 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -96.5 -40.94 8.82 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.239 0.542 . . . . 0.0 111.861 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.85 HG12 HG23 ' A' ' 8' ' ' THR . 14.1 mm -124.97 30.34 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.944 0.878 . . . . 0.0 109.455 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.786 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.9 tp -38.46 162.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.922 -1.49 . . . . 0.0 113.401 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.615 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.57 -24.0 1.57 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 114.149 -1.387 . . . . 0.0 112.972 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.56 30.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.099 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 6.2 p -61.8 136.94 24.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 111.05 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -113.48 87.8 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -137.46 -16.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -97.63 150.19 21.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 t -80.37 -57.32 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.8 p -70.96 101.42 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.1 p -61.34 147.72 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.688 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 pt -143.14 20.15 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.235 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.41 105.79 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.7 mptt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.345 -0.836 . . . . 0.0 111.021 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -111.26 10.1 21.71 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 123.04 0.212 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.21 17.21 5.49 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.25 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.56 0 CA-C-O 125.269 2.461 . . . . 0.0 115.485 -177.113 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.61 -3.7 1.87 Allowed Glycine 0 C--N 1.272 -3.005 1 CA-C-N 107.429 -4.441 . . . . 0.0 105.996 -176.266 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.634 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -102.99 -3.42 26.06 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 112.276 -1.962 . . . . 0.0 109.222 178.376 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.897 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.58 -83.37 0.09 Allowed 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.859 179.737 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.756 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -21.88 -33.14 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.877 0.37 . . . . 0.0 111.58 175.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.833 HG23 HG12 ' A' ' 9' ' ' ILE . 4.9 t -96.09 -41.37 8.76 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.226 0.536 . . . . 0.0 111.741 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.833 HG12 HG23 ' A' ' 8' ' ' THR . 14.3 mm -123.48 29.93 2.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.007 0.908 . . . . 0.0 109.441 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.9 tp -38.42 162.92 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.837 -1.529 . . . . 0.0 113.547 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.603 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -47.45 -24.93 2.79 Favored Glycine 0 N--CA 1.437 -1.285 0 CA-C-N 114.024 -1.444 . . . . 0.0 113.343 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.58 25.16 0.24 Allowed Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.587 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.762 HG13 ' H ' ' A' ' 15' ' ' LYS . 8.5 p -71.17 162.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.109 0.454 . . . . 0.0 110.769 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.48 ' N ' HG22 ' A' ' 13' ' ' VAL . 78.7 m-20 -61.91 -6.19 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.27 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.762 ' H ' HG13 ' A' ' 13' ' ' VAL . 96.1 mttt 62.11 102.91 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -109.94 173.61 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.949 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -78.84 168.18 20.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 p -96.83 7.92 45.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -87.31 11.7 13.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.77 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 pt -108.03 -173.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.201 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.71 120.86 0.58 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.552 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 3.8 mptp? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.505 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -111.21 10.04 21.79 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 123.017 0.198 . . . . 0.0 111.281 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.41 17.03 5.59 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.1 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.534 0 CA-C-O 125.33 2.491 . . . . 0.0 115.46 -177.015 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.55 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.79 -3.57 1.8 Allowed Glycine 0 C--N 1.273 -2.928 1 CA-C-N 107.489 -4.414 . . . . 0.0 105.968 -176.389 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.624 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.0 -3.69 25.68 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 112.274 -1.963 . . . . 0.0 109.17 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.91 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.35 -83.74 0.08 Allowed 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.774 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.789 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -21.89 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 120.901 0.382 . . . . 0.0 111.688 175.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.839 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -95.63 -41.19 9.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-O 121.257 0.551 . . . . 0.0 111.826 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.839 HG12 HG23 ' A' ' 8' ' ' THR . 14.6 mm -123.12 29.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.048 0.928 . . . . 0.0 109.4 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -39.43 164.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.376 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.553 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -47.07 -23.65 1.74 Allowed Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.834 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 31.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.954 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 7.4 p -62.59 141.12 18.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.807 0.336 . . . . 0.0 111.146 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -132.13 13.04 4.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.631 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' H ' HG22 ' A' ' 13' ' ' VAL . 60.4 pttt -162.58 135.39 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -168.54 145.16 3.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -147.02 107.8 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.4 p 51.22 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.513 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.9 t 60.01 12.4 3.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 pt -124.15 18.58 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.43 167.34 26.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.56 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -145.56 9.99 1.22 Allowed 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 120.541 0.21 . . . . 0.0 111.374 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.39 17.14 5.66 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -179.253 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.688 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.27 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.536 0 CA-C-O 125.224 2.44 . . . . 0.0 115.438 -177.067 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.56 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.47 1.92 Allowed Glycine 0 C--N 1.273 -2.95 1 CA-C-N 107.527 -4.397 . . . . 0.0 105.934 -176.286 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.624 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.16 -3.08 26.31 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 112.296 -1.952 . . . . 0.0 109.164 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.926 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.55 -78.49 0.16 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.474 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.7 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.65 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.129 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.776 HG23 HG12 ' A' ' 9' ' ' ILE . 9.5 t -94.8 -37.77 11.08 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 121.075 0.464 . . . . 0.0 111.123 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.776 HG12 HG23 ' A' ' 8' ' ' THR . 47.6 mm -111.62 -42.6 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.887 0.851 . . . . 0.0 109.784 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.6 tp 48.61 169.1 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.789 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.92 -22.94 21.17 Favored Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 114.262 -1.335 . . . . 0.0 112.702 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.08 33.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.914 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.603 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.4 p -73.12 3.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.154 0.502 . . . . 0.0 111.222 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -134.96 11.41 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.793 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.0 89.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -93.25 103.26 15.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.063 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.6 t -102.49 -34.03 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.5 p -133.87 153.56 51.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.81 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.8 p -52.5 131.3 33.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.761 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 pp -147.32 174.51 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.384 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.84 -143.7 4.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.6 pttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.02 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp -90.35 10.04 26.54 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.006 0.191 . . . . 0.0 111.298 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.25 17.16 5.5 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.698 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.22 144.49 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.545 0 CA-C-O 125.337 2.494 . . . . 0.0 115.397 -177.058 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.549 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.39 -3.71 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.46 -4.427 . . . . 0.0 105.951 -176.319 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.621 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -102.89 -3.57 26.02 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 112.268 -1.966 . . . . 0.0 109.211 178.356 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.897 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.42 -83.67 0.08 Allowed 'General case' 0 C--O 1.206 -1.218 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.863 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.789 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.01 -33.09 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 120.872 0.368 . . . . 0.0 111.619 175.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.851 HG23 HG12 ' A' ' 9' ' ' ILE . 4.9 t -95.95 -41.62 8.69 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.804 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.851 HG12 HG23 ' A' ' 8' ' ' THR . 13.2 mm -123.3 29.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.029 0.919 . . . . 0.0 109.51 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.785 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp -38.49 161.95 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.899 -1.501 . . . . 0.0 113.62 -178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.616 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -50.82 -23.36 6.87 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.18 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.9 26.9 0.39 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.733 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.676 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 8.5 p -78.25 8.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.204 0.526 . . . . 0.0 110.731 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.416 ' H ' ' H ' ' A' ' 15' ' ' LYS . 26.9 t-20 -169.64 -17.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.716 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' H ' ' H ' ' A' ' 14' ' ' ASN . 53.4 mtmt 59.55 97.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -106.63 170.6 7.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 m -82.96 3.68 29.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.606 ' HB ' HG13 ' A' ' 20' ' ' ILE . 78.8 p -68.9 140.14 55.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 t -87.75 12.89 11.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.606 HG13 ' HB ' ' A' ' 18' ' ' THR . 2.9 pp -103.92 174.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.455 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.55 -91.99 1.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.874 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -106.27 9.9 31.89 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 120.509 0.195 . . . . 0.0 111.362 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.27 17.18 5.54 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.15 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.532 0 CA-C-O 125.244 2.45 . . . . 0.0 115.445 -177.128 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.556 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.25 -3.26 1.91 Allowed Glycine 0 C--N 1.272 -2.985 1 CA-C-N 107.492 -4.413 . . . . 0.0 105.994 -176.318 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.38 -3.3 25.68 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 112.227 -1.987 . . . . 0.0 109.193 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.89 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.07 -82.34 0.1 Allowed 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.952 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.777 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.35 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 175.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.854 HG23 HG12 ' A' ' 9' ' ' ILE . 5.2 t -97.74 -40.96 8.31 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.964 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.854 HG12 HG23 ' A' ' 8' ' ' THR . 13.5 mm -125.58 30.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.964 0.888 . . . . 0.0 109.671 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.95 155.92 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.475 . . . . 0.0 113.586 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.733 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -56.53 -20.37 30.58 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.286 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.456 ' H ' ' HG ' ' A' ' 10' ' ' LEU . . . -126.01 -23.96 1.55 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.375 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.65 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.4 p -55.22 153.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.268 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.457 ' HB3' HD11 ' A' ' 20' ' ' ILE . 21.6 p-10 -138.17 109.26 6.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -166.73 -5.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.994 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -96.37 -35.81 11.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 t -169.33 147.45 3.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.3 m -96.67 92.69 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -158.38 11.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.671 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 14' ' ' ASN . 28.3 pt -112.73 -173.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.035 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.74 -111.47 3.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.541 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.974 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.499 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.4 tpp -88.92 10.08 22.6 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 122.986 0.179 . . . . 0.0 111.257 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.3 17.18 5.57 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 -179.188 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.679 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.26 144.39 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.594 0 CA-C-O 125.214 2.435 . . . . 0.0 115.398 -177.074 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.31 -3.36 1.9 Allowed Glycine 0 C--N 1.272 -2.995 1 CA-C-N 107.567 -4.379 . . . . 0.0 106.011 -176.244 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.616 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.15 -3.19 26.16 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 112.193 -2.004 . . . . 0.0 109.127 178.298 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.926 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.54 -78.36 0.16 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.442 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.725 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.97 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 175.722 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.769 HG23 HG12 ' A' ' 9' ' ' ILE . 9.9 t -95.21 -37.2 11.14 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.147 0.499 . . . . 0.0 111.18 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.769 HG12 HG23 ' A' ' 8' ' ' THR . 47.7 mm -112.38 -42.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.886 0.85 . . . . 0.0 109.82 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.8 tp 47.5 169.9 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.528 -1.669 . . . . 0.0 113.707 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.473 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -55.76 -20.32 24.82 Favored Glycine 0 N--CA 1.434 -1.444 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.293 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.08 35.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.587 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.541 ' HB ' HD23 ' A' ' 10' ' ' LEU . 7.5 p -58.81 143.97 12.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.801 0.334 . . . . 0.0 111.272 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -135.51 15.55 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.805 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' H ' HG22 ' A' ' 13' ' ' VAL . 53.1 mtmt -74.76 -12.18 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -83.75 138.22 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.2 m -63.96 -52.59 59.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.572 HG22 ' H ' ' A' ' 20' ' ' ILE . 26.4 m -65.37 152.06 44.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.498 ' O ' HG12 ' A' ' 20' ' ' ILE . 10.7 t -76.56 2.85 12.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.572 ' H ' HG22 ' A' ' 18' ' ' THR . 4.8 pt 45.39 -169.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.186 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' N ' HG13 ' A' ' 20' ' ' ILE . . . 99.6 -65.59 0.63 Allowed Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.519 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 mttm . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.027 -179.776 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.499 ' C ' ' N ' ' A' ' 3' ' ' TRP . 12.5 tpp -90.77 10.04 27.63 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 122.99 0.181 . . . . 0.0 111.301 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.35 17.17 5.63 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.15 144.42 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.561 0 CA-C-O 125.234 2.445 . . . . 0.0 115.444 -177.146 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.557 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.36 -3.48 1.9 Allowed Glycine 0 C--N 1.272 -3.006 1 CA-C-N 107.523 -4.398 . . . . 0.0 105.924 -176.417 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.12 -2.97 26.51 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 112.232 -1.984 . . . . 0.0 109.14 178.331 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.898 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.42 -78.47 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.531 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.717 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.73 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 175.771 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.778 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.2 -37.53 10.99 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.045 0.45 . . . . 0.0 111.107 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 8' ' ' THR . 47.4 mm -112.16 -42.27 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.967 0.889 . . . . 0.0 109.836 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.62 169.47 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.662 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -51.71 -22.77 9.01 Favored Glycine 0 N--CA 1.437 -1.289 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.664 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.37 32.48 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.133 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 9' ' ' ILE . 3.7 p -79.21 13.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.984 0.421 . . . . 0.0 111.072 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -82.34 86.35 6.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.288 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HE2' ' HA ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -129.76 -4.75 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.577 179.636 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -121.68 -25.0 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.3 t 65.21 144.56 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.5 m 64.85 121.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.272 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.6 p -54.78 144.06 23.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 pt -142.86 19.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.308 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.61 -78.96 0.21 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.532 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.853 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.572 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 1.3 ttt -90.73 11.93 20.75 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.468 0.175 . . . . 0.0 111.351 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 60.22 17.05 6.6 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.541 0 CA-C-O 125.335 2.493 . . . . 0.0 115.438 -177.095 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.55 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.21 -3.24 1.92 Allowed Glycine 0 C--N 1.273 -2.967 1 CA-C-N 107.476 -4.42 . . . . 0.0 105.955 -176.292 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.636 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.2 -3.08 26.24 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 112.321 -1.939 . . . . 0.0 109.163 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.902 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.66 -78.54 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.485 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.735 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.86 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 175.743 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.779 HG23 HG12 ' A' ' 9' ' ' ILE . 9.2 t -95.1 -37.47 11.07 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 121.102 0.477 . . . . 0.0 111.156 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.779 HG12 HG23 ' A' ' 8' ' ' THR . 46.6 mm -112.32 -42.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.877 0.846 . . . . 0.0 109.792 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.4 tp 47.94 171.13 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.639 -1.619 . . . . 0.0 113.621 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.51 -22.04 10.26 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.576 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.47 28.8 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.844 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 9' ' ' ILE . 9.6 p -65.26 157.41 5.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 66.65 -4.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.514 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 13' ' ' VAL . 32.5 mmmt 53.44 93.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.222 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -152.17 174.13 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.5 m -98.81 -61.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -134.98 -162.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.5 m -48.47 146.97 2.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.3 pt -135.22 178.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.214 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.96 60.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.602 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.9 mptt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp -144.74 10.01 1.36 Allowed 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 123.039 0.212 . . . . 0.0 111.34 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.32 17.2 5.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.14 144.44 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.254 2.454 . . . . 0.0 115.402 -177.081 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.553 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.25 1.9 Allowed Glycine 0 C--N 1.274 -2.902 1 CA-C-N 107.479 -4.419 . . . . 0.0 105.93 -176.364 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.627 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.42 -3.29 25.65 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.238 -1.981 . . . . 0.0 109.194 178.394 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.896 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.15 -82.03 0.1 Allowed 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.03 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.779 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.55 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.494 175.811 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.826 HG23 HG12 ' A' ' 9' ' ' ILE . 5.5 t -98.0 -40.54 8.41 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.826 HG12 HG23 ' A' ' 8' ' ' THR . 18.4 mm -126.71 30.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 122.092 0.948 . . . . 0.0 109.767 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.97 156.13 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.581 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.743 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -56.04 -19.34 22.67 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 113.813 -1.54 . . . . 0.0 113.422 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.416 ' H ' ' HG ' ' A' ' 10' ' ' LEU . . . -129.64 -23.67 1.07 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.568 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.3 p -54.95 159.19 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.293 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -121.16 108.6 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -140.42 -11.74 1.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -64.05 -69.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.6 m -154.33 -75.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 p -141.98 -67.25 0.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.8 p -87.23 149.71 24.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.7 pt -140.29 19.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.202 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.83 -67.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.527 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.492 ' H ' ' HD2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt -136.0 9.98 3.3 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 122.978 0.173 . . . . 0.0 111.238 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.24 17.23 5.54 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.686 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.21 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.297 2.475 . . . . 0.0 115.408 -177.136 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.559 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.57 1.94 Allowed Glycine 0 C--N 1.274 -2.914 1 CA-C-N 107.525 -4.398 . . . . 0.0 105.945 -176.34 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.63 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.03 -3.11 26.44 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 112.228 -1.986 . . . . 0.0 109.119 178.334 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.899 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -78.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.526 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.73 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.8 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 175.768 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.775 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.18 -37.44 11.04 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 121.059 0.456 . . . . 0.0 111.193 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.775 HG12 HG23 ' A' ' 8' ' ' THR . 46.1 mm -112.3 -42.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.977 0.894 . . . . 0.0 109.858 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.3 tp 48.71 168.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.541 -1.663 . . . . 0.0 113.723 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.524 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.22 -23.08 16.13 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.645 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.58 35.27 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.948 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.585 ' HB ' HD23 ' A' ' 10' ' ' LEU . 6.0 p -75.57 11.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.138 0.494 . . . . 0.0 111.243 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -70.94 103.93 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -153.58 -1.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -90.03 165.77 13.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -141.65 -48.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p -126.62 -168.22 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.476 ' O ' HG12 ' A' ' 20' ' ' ILE . 50.9 m 59.75 -139.86 0.66 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.467 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 19' ' ' SER . 6.5 pt 46.45 -169.45 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 122.83 0.452 . . . . 0.0 112.044 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' N ' HG13 ' A' ' 20' ' ' ILE . . . 76.97 173.02 37.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.469 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.7 mptt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.508 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt -144.38 9.99 1.44 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 120.504 0.192 . . . . 0.0 111.35 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.33 17.25 5.68 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.43 144.64 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.52 0 CA-C-O 125.294 2.473 . . . . 0.0 115.396 -177.053 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.548 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.15 -3.53 1.96 Allowed Glycine 0 C--N 1.273 -2.918 1 CA-C-N 107.477 -4.42 . . . . 0.0 105.927 -176.303 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.606 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.05 -3.1 26.42 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.212 -1.994 . . . . 0.0 109.158 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.94 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.48 -78.69 0.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.445 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.7 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.54 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.227 175.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.767 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.036 0.446 . . . . 0.0 111.101 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.767 HG12 HG23 ' A' ' 8' ' ' THR . 47.3 mm -112.2 -42.23 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.867 0.842 . . . . 0.0 109.683 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.2 tp 47.67 171.77 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.593 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.456 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.32 -21.39 8.46 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.373 -1.285 . . . . 0.0 112.51 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.49 28.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.855 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 9' ' ' ILE . 10.0 p -65.03 152.72 8.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.832 0.349 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -149.17 -19.36 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -93.67 125.59 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -143.47 -65.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 t -162.84 -65.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.9 p -97.14 -173.05 2.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.489 ' O ' HG12 ' A' ' 20' ' ' ILE . 9.6 m -78.01 3.72 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 19' ' ' SER . 4.8 pt 45.86 -169.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.218 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' N ' HG13 ' A' ' 20' ' ' ILE . . . 150.19 68.31 0.01 OUTLIER Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.083 -0.961 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.505 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp -90.85 9.96 28.16 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 123.031 0.207 . . . . 0.0 111.26 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.36 17.28 5.74 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.38 144.22 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-O 125.204 2.431 . . . . 0.0 115.504 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.555 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.63 -3.53 1.84 Allowed Glycine 0 C--N 1.273 -2.97 1 CA-C-N 107.524 -4.398 . . . . 0.0 105.95 -176.328 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.642 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.09 -3.5 25.81 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 112.254 -1.973 . . . . 0.0 109.183 178.345 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.937 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.48 -83.52 0.09 Allowed 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.835 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.788 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.04 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 120.884 0.374 . . . . 0.0 111.567 175.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.848 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -95.97 -41.45 8.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.848 HG12 HG23 ' A' ' 8' ' ' THR . 14.2 mm -123.54 30.06 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.896 0.855 . . . . 0.0 109.409 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.79 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -38.7 163.31 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.921 -1.491 . . . . 0.0 113.514 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.6 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.13 -25.1 1.68 Allowed Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.124 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.92 27.26 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.271 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 10.9 p -66.01 144.75 14.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.97 0.385 . . . . 0.0 111.058 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -133.74 89.38 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -142.08 -4.73 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -95.41 149.72 21.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.7 m -138.55 105.86 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.7 p 51.52 -170.09 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.393 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.443 ' O ' HG12 ' A' ' 20' ' ' ILE . 51.6 m 56.67 -135.7 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 19' ' ' SER . 8.6 pt 45.67 22.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.182 0 O-C-N 123.44 0.463 . . . . 0.0 112.139 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.77 -73.65 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.583 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 pttt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.417 -0.801 . . . . 0.0 111.023 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.481 ' C ' ' N ' ' A' ' 3' ' ' TRP . 12.4 tpp 58.63 8.08 0.84 Allowed 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.02 16.98 5.05 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -23.9 144.18 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.503 0 CA-C-O 125.237 2.446 . . . . 0.0 115.429 -177.183 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.552 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.6 -3.23 1.81 Allowed Glycine 0 C--N 1.272 -2.997 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.922 -176.409 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.623 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.31 -3.22 25.89 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.29 -1.955 . . . . 0.0 109.195 178.391 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.935 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -81.97 0.11 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.14 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.753 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.55 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.885 0.374 . . . . 0.0 111.444 175.745 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.805 HG23 HG12 ' A' ' 9' ' ' ILE . 5.5 t -98.53 -40.45 8.23 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.003 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.805 HG12 HG23 ' A' ' 8' ' ' THR . 13.9 mm -128.39 31.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.994 0.902 . . . . 0.0 109.714 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.781 HD12 ' H ' ' A' ' 11' ' ' GLY . 17.7 tp -35.62 154.09 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.863 -1.517 . . . . 0.0 113.682 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.781 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -45.22 -43.76 9.64 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.138 -1.392 . . . . 0.0 112.481 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.31 18.51 11.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.019 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -37.45 139.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.428 ' H ' ' H ' ' A' ' 15' ' ' LYS . 22.8 t-20 -178.19 4.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.778 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' H ' ' H ' ' A' ' 14' ' ' ASN . 35.1 mmtp -63.84 -10.01 18.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -64.19 174.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 p -59.71 -62.83 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.7 m -147.23 -75.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p -68.84 163.98 23.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.561 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 pt -143.92 161.3 15.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.19 105.34 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.558 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -145.83 11.65 1.25 Allowed 'General case' 0 CA--C 1.509 -0.617 0 O-C-N 122.997 0.186 . . . . 0.0 111.362 . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 60.32 16.91 6.61 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -178.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -23.89 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 125.317 2.484 . . . . 0.0 115.502 -177.108 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.38 -3.09 1.85 Allowed Glycine 0 C--N 1.274 -2.874 1 CA-C-N 107.495 -4.412 . . . . 0.0 106.018 -176.309 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.628 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.46 -3.11 25.84 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 112.235 -1.983 . . . . 0.0 109.122 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.922 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.35 -82.26 0.1 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.011 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.753 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.08 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.907 0.384 . . . . 0.0 111.472 175.755 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.816 HG23 HG12 ' A' ' 9' ' ' ILE . 5.2 t -97.86 -40.82 8.33 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.816 HG12 HG23 ' A' ' 8' ' ' THR . 13.8 mm -126.84 30.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 109.607 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 18.3 tp -36.57 156.13 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.68 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.711 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.0 -41.22 10.57 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 114.154 -1.384 . . . . 0.0 112.466 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.83 17.12 9.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.949 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.95 142.07 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.433 ' H ' ' H ' ' A' ' 15' ' ' LYS . 54.8 t30 -177.64 -13.51 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.84 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' H ' ' H ' ' A' ' 14' ' ' ASN . 21.9 pttp -141.46 151.03 43.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -138.37 137.44 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 t -78.65 -8.44 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -133.33 119.35 19.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -57.8 144.53 38.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.665 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 pt -143.9 20.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.298 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.21 155.09 22.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.549 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.497 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp . . . . . 0 CA--C 1.509 -0.621 0 CA-C-O 120.531 0.205 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.34 17.15 5.6 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.684 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.25 144.52 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.582 0 CA-C-O 125.236 2.446 . . . . 0.0 115.492 -177.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.556 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.52 1.93 Allowed Glycine 0 C--N 1.273 -2.957 1 CA-C-N 107.529 -4.396 . . . . 0.0 105.937 -176.32 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.615 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.21 -2.97 26.39 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 112.213 -1.993 . . . . 0.0 109.142 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.939 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.32 -78.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.561 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.723 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -29.1 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 175.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.765 HG23 HG12 ' A' ' 9' ' ' ILE . 9.8 t -95.87 -36.84 10.96 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-O 121.047 0.451 . . . . 0.0 111.267 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.765 HG12 HG23 ' A' ' 8' ' ' THR . 47.9 mm -113.68 -41.27 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.886 0.851 . . . . 0.0 109.824 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 48.05 168.28 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.634 -1.621 . . . . 0.0 113.714 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.77 -20.81 8.46 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 114.303 -1.317 . . . . 0.0 112.45 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.14 35.06 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.585 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.575 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.5 p . . . . . 0 C--N 1.332 -0.176 0 CA-C-O 120.877 0.37 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 120.435 0.16 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.28 17.19 5.55 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 -179.216 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.688 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.28 144.51 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.523 0 CA-C-O 125.31 2.481 . . . . 0.0 115.422 -177.059 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.553 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.35 -3.6 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.483 -4.417 . . . . 0.0 105.924 -176.321 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.619 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.08 -3.0 26.52 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 112.26 -1.97 . . . . 0.0 109.167 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.95 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.53 -78.5 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.534 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.709 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.84 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.2 175.713 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.778 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.35 -37.17 11.09 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.113 0.482 . . . . 0.0 111.225 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 8' ' ' THR . 46.0 mm -112.81 -41.87 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.968 0.89 . . . . 0.0 109.797 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.23 170.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.58 -1.646 . . . . 0.0 113.599 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -51.91 -22.03 8.5 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.573 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.01 29.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.839 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 9' ' ' ILE . 7.6 p . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 111.039 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.612 0 CA-C-O 120.512 0.196 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.22 5.57 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -179.284 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.69 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.29 144.67 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.574 0 CA-C-O 125.24 2.448 . . . . 0.0 115.385 -177.106 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.561 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.0 -3.44 1.99 Allowed Glycine 0 C--N 1.272 -2.975 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.93 -176.341 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.63 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.15 -3.06 26.34 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 112.215 -1.992 . . . . 0.0 109.104 178.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.933 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.46 -78.44 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.518 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.716 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.75 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 175.714 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.777 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.53 -37.33 10.92 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.988 0.423 . . . . 0.0 111.196 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.777 HG12 HG23 ' A' ' 8' ' ' THR . 46.8 mm -112.47 -41.67 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.931 0.872 . . . . 0.0 109.852 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.2 tp 47.84 169.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.562 -1.653 . . . . 0.0 113.668 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.485 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.42 -21.9 14.39 Favored Glycine 0 N--CA 1.436 -1.344 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.553 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.52 31.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.741 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 9' ' ' ILE . 14.9 p . . . . . 0 C--N 1.332 -0.18 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.513 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.605 0 CA-C-O 120.491 0.186 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.19 5.55 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.538 0 CA-C-O 125.306 2.479 . . . . 0.0 115.392 -177.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.559 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.18 -3.38 1.94 Allowed Glycine 0 C--N 1.273 -2.939 1 CA-C-N 107.454 -4.43 . . . . 0.0 105.903 -176.32 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.626 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.3 -2.96 26.26 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.244 -1.978 . . . . 0.0 109.126 178.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.947 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.56 -78.32 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.559 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.715 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.77 -29.57 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.172 175.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.774 HG23 HG12 ' A' ' 9' ' ' ILE . 9.1 t -95.27 -37.54 10.95 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 121.135 0.493 . . . . 0.0 111.224 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.774 HG12 HG23 ' A' ' 8' ' ' THR . 47.1 mm -112.09 -41.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.98 0.895 . . . . 0.0 109.865 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.11 169.65 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.581 -1.645 . . . . 0.0 113.651 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.51 -22.67 11.56 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.644 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 30.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.801 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 9' ' ' ILE . 9.4 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.759 0.314 . . . . 0.0 111.029 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.493 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp . . . . . 0 CA--C 1.509 -0.603 0 CA-C-O 120.54 0.21 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.29 17.2 5.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.682 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.32 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.588 0 CA-C-O 125.255 2.455 . . . . 0.0 115.463 -177.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.549 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.58 -3.74 1.88 Allowed Glycine 0 C--N 1.273 -2.952 1 CA-C-N 107.485 -4.416 . . . . 0.0 105.962 -176.319 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.612 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.02 -3.06 26.52 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 112.218 -1.991 . . . . 0.0 109.233 178.39 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.936 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.27 -78.46 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.568 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.727 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -29.09 -29.27 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 175.71 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.785 HG23 HG12 ' A' ' 9' ' ' ILE . 9.5 t -95.86 -36.93 10.94 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-O 121.03 0.443 . . . . 0.0 111.32 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.785 HG12 HG23 ' A' ' 8' ' ' THR . 45.7 mm -113.53 -41.22 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.904 0.859 . . . . 0.0 109.873 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.769 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 47.47 168.63 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.659 -1.61 . . . . 0.0 113.708 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.494 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -54.41 -20.29 15.95 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.29 -1.323 . . . . 0.0 112.329 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.33 35.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.485 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 9' ' ' ILE . 7.3 p . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.341 . . . . 0.0 111.244 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 120.525 0.203 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.31 17.14 5.56 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -179.239 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.23 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.583 0 CA-C-O 125.279 2.466 . . . . 0.0 115.466 -177.019 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.56 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.44 -3.51 1.89 Allowed Glycine 0 C--N 1.274 -2.9 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.961 -176.351 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.64 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.12 -3.46 25.83 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 112.339 -1.931 . . . . 0.0 109.195 178.361 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.933 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.62 -83.29 0.09 Allowed 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.883 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.788 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.3 -32.82 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 120.836 0.35 . . . . 0.0 111.571 175.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.85 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -96.5 -40.94 8.82 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.239 0.542 . . . . 0.0 111.861 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.85 HG12 HG23 ' A' ' 8' ' ' THR . 14.1 mm -124.97 30.34 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.944 0.878 . . . . 0.0 109.455 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.786 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.9 tp -38.46 162.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.922 -1.49 . . . . 0.0 113.401 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.615 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.57 -24.0 1.57 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 114.149 -1.387 . . . . 0.0 112.972 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.56 30.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.099 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 6.2 p . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 111.05 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.501 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.622 0 CA-C-O 120.499 0.19 . . . . 0.0 111.335 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.21 17.21 5.49 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.25 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.56 0 CA-C-O 125.269 2.461 . . . . 0.0 115.485 -177.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.61 -3.7 1.87 Allowed Glycine 0 C--N 1.272 -3.005 1 CA-C-N 107.429 -4.441 . . . . 0.0 105.996 -176.266 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.634 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -102.99 -3.42 26.06 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 112.276 -1.962 . . . . 0.0 109.222 178.376 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.897 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.58 -83.37 0.09 Allowed 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.859 179.737 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.78 HE22 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -21.88 -33.14 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.877 0.37 . . . . 0.0 111.58 175.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.833 HG23 HG12 ' A' ' 9' ' ' ILE . 4.9 t -96.09 -41.37 8.76 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.226 0.536 . . . . 0.0 111.741 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.833 HG12 HG23 ' A' ' 8' ' ' THR . 14.3 mm -123.48 29.93 2.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.007 0.908 . . . . 0.0 109.441 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.9 tp -38.42 162.92 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.837 -1.529 . . . . 0.0 113.547 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.603 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -47.45 -24.93 2.79 Favored Glycine 0 N--CA 1.437 -1.285 0 CA-C-N 114.024 -1.444 . . . . 0.0 113.343 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.58 25.16 0.24 Allowed Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.587 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.689 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 8.5 p . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 117.109 0.454 . . . . 0.0 110.769 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.505 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.618 0 CA-C-O 120.483 0.182 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.41 17.03 5.59 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.1 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.534 0 CA-C-O 125.33 2.491 . . . . 0.0 115.46 -177.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.55 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.79 -3.57 1.8 Allowed Glycine 0 C--N 1.273 -2.928 1 CA-C-N 107.489 -4.414 . . . . 0.0 105.968 -176.389 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.624 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.0 -3.69 25.68 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 112.274 -1.963 . . . . 0.0 109.17 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.91 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.35 -83.74 0.08 Allowed 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.774 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.789 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -21.89 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 120.901 0.382 . . . . 0.0 111.688 175.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.839 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -95.63 -41.19 9.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-O 121.257 0.551 . . . . 0.0 111.826 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.839 HG12 HG23 ' A' ' 8' ' ' THR . 14.6 mm -123.12 29.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.048 0.928 . . . . 0.0 109.4 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -39.43 164.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.376 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.553 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -47.07 -23.65 1.74 Allowed Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.834 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 31.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.954 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 7.4 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.807 0.336 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.503 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.604 0 CA-C-O 120.541 0.21 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.39 17.14 5.66 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -179.253 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.688 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.27 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.536 0 CA-C-O 125.224 2.44 . . . . 0.0 115.438 -177.067 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.56 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.47 1.92 Allowed Glycine 0 C--N 1.273 -2.95 1 CA-C-N 107.527 -4.397 . . . . 0.0 105.934 -176.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.624 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.16 -3.08 26.31 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 112.296 -1.952 . . . . 0.0 109.164 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.926 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.55 -78.49 0.16 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.474 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.7 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.65 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.129 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.776 HG23 HG12 ' A' ' 9' ' ' ILE . 9.5 t -94.8 -37.77 11.08 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 121.075 0.464 . . . . 0.0 111.123 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.776 HG12 HG23 ' A' ' 8' ' ' THR . 47.6 mm -111.62 -42.6 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.887 0.851 . . . . 0.0 109.784 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.6 tp 48.61 169.1 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.789 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.5 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.92 -22.94 21.17 Favored Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 114.262 -1.335 . . . . 0.0 112.702 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.08 33.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.914 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.603 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.4 p . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 121.154 0.502 . . . . 0.0 111.222 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp . . . . . 0 CA--C 1.508 -0.64 0 CA-C-O 120.469 0.176 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.25 17.16 5.5 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.698 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.22 144.49 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.545 0 CA-C-O 125.337 2.494 . . . . 0.0 115.397 -177.058 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.549 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.39 -3.71 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.46 -4.427 . . . . 0.0 105.951 -176.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.621 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -102.89 -3.57 26.02 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 112.268 -1.966 . . . . 0.0 109.211 178.356 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.897 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.42 -83.67 0.08 Allowed 'General case' 0 C--O 1.206 -1.218 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.863 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.798 HE22 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -22.01 -33.09 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 120.872 0.368 . . . . 0.0 111.619 175.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.851 HG23 HG12 ' A' ' 9' ' ' ILE . 4.9 t -95.95 -41.62 8.69 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.804 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.851 HG12 HG23 ' A' ' 8' ' ' THR . 13.2 mm -123.3 29.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.029 0.919 . . . . 0.0 109.51 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.785 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp -38.49 161.95 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.899 -1.501 . . . . 0.0 113.62 -178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.616 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -50.82 -23.36 6.87 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.18 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.9 26.9 0.39 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.733 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.676 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 8.5 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 121.204 0.526 . . . . 0.0 110.731 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt . . . . . 0 CA--C 1.509 -0.634 0 CA-C-O 120.509 0.195 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.27 17.18 5.54 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.15 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.532 0 CA-C-O 125.244 2.45 . . . . 0.0 115.445 -177.128 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.556 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.25 -3.26 1.91 Allowed Glycine 0 C--N 1.272 -2.985 1 CA-C-N 107.492 -4.413 . . . . 0.0 105.994 -176.318 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.38 -3.3 25.68 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 112.227 -1.987 . . . . 0.0 109.193 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.89 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.07 -82.34 0.1 Allowed 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.952 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.78 HE22 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -23.35 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 175.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.854 HG23 HG12 ' A' ' 9' ' ' ILE . 5.2 t -97.74 -40.96 8.31 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.964 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.854 HG12 HG23 ' A' ' 8' ' ' THR . 13.5 mm -125.58 30.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.964 0.888 . . . . 0.0 109.671 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.95 155.92 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.475 . . . . 0.0 113.586 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.733 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -56.53 -20.37 30.58 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.286 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.456 ' H ' ' HG ' ' A' ' 10' ' ' LEU . . . -126.01 -23.96 1.55 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.375 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.65 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.4 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.268 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.499 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.4 tpp . . . . . 0 CA--C 1.51 -0.586 0 CA-C-O 120.464 0.174 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.3 17.18 5.57 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 -179.188 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.679 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.26 144.39 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.594 0 CA-C-O 125.214 2.435 . . . . 0.0 115.398 -177.074 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.31 -3.36 1.9 Allowed Glycine 0 C--N 1.272 -2.995 1 CA-C-N 107.567 -4.379 . . . . 0.0 106.011 -176.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.616 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.15 -3.19 26.16 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 112.193 -2.004 . . . . 0.0 109.127 178.298 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.926 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.54 -78.36 0.16 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.442 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.725 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.97 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 175.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.769 HG23 HG12 ' A' ' 9' ' ' ILE . 9.9 t -95.21 -37.2 11.14 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.147 0.499 . . . . 0.0 111.18 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.769 HG12 HG23 ' A' ' 8' ' ' THR . 47.7 mm -112.38 -42.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.886 0.85 . . . . 0.0 109.82 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.8 tp 47.5 169.9 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.528 -1.669 . . . . 0.0 113.707 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.473 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -55.76 -20.32 24.82 Favored Glycine 0 N--CA 1.434 -1.444 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.293 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.08 35.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.587 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.541 ' HB ' HD23 ' A' ' 10' ' ' LEU . 7.5 p . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 120.801 0.334 . . . . 0.0 111.272 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.499 ' C ' ' N ' ' A' ' 3' ' ' TRP . 12.5 tpp . . . . . 0 CA--C 1.508 -0.635 0 CA-C-O 120.431 0.158 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.35 17.17 5.63 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.15 144.42 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.561 0 CA-C-O 125.234 2.445 . . . . 0.0 115.444 -177.146 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.557 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.36 -3.48 1.9 Allowed Glycine 0 C--N 1.272 -3.006 1 CA-C-N 107.523 -4.398 . . . . 0.0 105.924 -176.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.12 -2.97 26.51 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 112.232 -1.984 . . . . 0.0 109.14 178.331 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.898 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.42 -78.47 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.531 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.717 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.73 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 175.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.778 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.2 -37.53 10.99 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.045 0.45 . . . . 0.0 111.107 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 8' ' ' THR . 47.4 mm -112.16 -42.27 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.967 0.889 . . . . 0.0 109.836 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.62 169.47 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.662 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.515 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -51.71 -22.77 9.01 Favored Glycine 0 N--CA 1.437 -1.289 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.664 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.37 32.48 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.133 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 9' ' ' ILE . 3.7 p . . . . . 0 C--N 1.332 -0.195 0 CA-C-O 120.984 0.421 . . . . 0.0 111.072 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.572 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 1.3 ttt . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 120.468 0.175 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 60.22 17.05 6.6 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.541 0 CA-C-O 125.335 2.493 . . . . 0.0 115.438 -177.095 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.55 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.21 -3.24 1.92 Allowed Glycine 0 C--N 1.273 -2.967 1 CA-C-N 107.476 -4.42 . . . . 0.0 105.955 -176.292 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.636 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.2 -3.08 26.24 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 112.321 -1.939 . . . . 0.0 109.163 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.902 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.66 -78.54 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.485 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.735 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.86 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 175.743 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.779 HG23 HG12 ' A' ' 9' ' ' ILE . 9.2 t -95.1 -37.47 11.07 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 121.102 0.477 . . . . 0.0 111.156 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.779 HG12 HG23 ' A' ' 8' ' ' THR . 46.6 mm -112.32 -42.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.877 0.846 . . . . 0.0 109.792 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.4 tp 47.94 171.13 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.639 -1.619 . . . . 0.0 113.621 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.463 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.51 -22.04 10.26 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.576 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.47 28.8 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.844 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 9' ' ' ILE . 9.6 p . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.108 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 120.513 0.197 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.32 17.2 5.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.14 144.44 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.254 2.454 . . . . 0.0 115.402 -177.081 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.553 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.25 1.9 Allowed Glycine 0 C--N 1.274 -2.902 1 CA-C-N 107.479 -4.419 . . . . 0.0 105.93 -176.364 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.627 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.42 -3.29 25.65 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.238 -1.981 . . . . 0.0 109.194 178.394 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.896 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.15 -82.03 0.1 Allowed 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.03 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.779 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.55 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.494 175.811 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.826 HG23 HG12 ' A' ' 9' ' ' ILE . 5.5 t -98.0 -40.54 8.41 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.826 HG12 HG23 ' A' ' 8' ' ' THR . 18.4 mm -126.71 30.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 122.092 0.948 . . . . 0.0 109.767 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.97 156.13 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.581 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.743 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -56.04 -19.34 22.67 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 113.813 -1.54 . . . . 0.0 113.422 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.416 ' H ' ' HG ' ' A' ' 10' ' ' LEU . . . -129.64 -23.67 1.07 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.568 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.3 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.293 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 120.418 0.152 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.24 17.23 5.54 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.686 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.21 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.297 2.475 . . . . 0.0 115.408 -177.136 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.559 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.57 1.94 Allowed Glycine 0 C--N 1.274 -2.914 1 CA-C-N 107.525 -4.398 . . . . 0.0 105.945 -176.34 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.63 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.03 -3.11 26.44 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 112.228 -1.986 . . . . 0.0 109.119 178.334 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.899 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -78.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.526 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.73 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.8 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 175.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.775 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.18 -37.44 11.04 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 121.059 0.456 . . . . 0.0 111.193 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.775 HG12 HG23 ' A' ' 8' ' ' THR . 46.1 mm -112.3 -42.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.977 0.894 . . . . 0.0 109.858 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.3 tp 48.71 168.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.541 -1.663 . . . . 0.0 113.723 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.524 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.22 -23.08 16.13 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.645 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.58 35.27 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.948 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.585 ' HB ' HD23 ' A' ' 10' ' ' LEU . 6.0 p . . . . . 0 C--N 1.332 -0.168 0 CA-C-O 121.138 0.494 . . . . 0.0 111.243 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.508 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 120.504 0.192 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.33 17.25 5.68 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.43 144.64 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.52 0 CA-C-O 125.294 2.473 . . . . 0.0 115.396 -177.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.548 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.15 -3.53 1.96 Allowed Glycine 0 C--N 1.273 -2.918 1 CA-C-N 107.477 -4.42 . . . . 0.0 105.927 -176.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.606 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.05 -3.1 26.42 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.212 -1.994 . . . . 0.0 109.158 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.94 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.48 -78.69 0.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.445 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.7 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.54 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.227 175.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.767 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.036 0.446 . . . . 0.0 111.101 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.767 HG12 HG23 ' A' ' 8' ' ' THR . 47.3 mm -112.2 -42.23 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.867 0.842 . . . . 0.0 109.683 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.2 tp 47.67 171.77 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.593 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.456 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.32 -21.39 8.46 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.373 -1.285 . . . . 0.0 112.51 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.49 28.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.855 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 9' ' ' ILE . 10.0 p . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 120.832 0.349 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.505 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp . . . . . 0 CA--C 1.509 -0.6 0 CA-C-O 120.472 0.177 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.36 17.28 5.74 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.38 144.22 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-O 125.204 2.431 . . . . 0.0 115.504 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.555 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.63 -3.53 1.84 Allowed Glycine 0 C--N 1.273 -2.97 1 CA-C-N 107.524 -4.398 . . . . 0.0 105.95 -176.328 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.642 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.09 -3.5 25.81 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 112.254 -1.973 . . . . 0.0 109.183 178.345 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.937 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.48 -83.52 0.09 Allowed 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.835 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.788 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.04 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 120.884 0.374 . . . . 0.0 111.567 175.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.848 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -95.97 -41.45 8.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.848 HG12 HG23 ' A' ' 8' ' ' THR . 14.2 mm -123.54 30.06 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.896 0.855 . . . . 0.0 109.409 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.79 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -38.7 163.31 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.921 -1.491 . . . . 0.0 113.514 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.6 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.13 -25.1 1.68 Allowed Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.124 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.92 27.26 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.271 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 10.9 p . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.97 0.385 . . . . 0.0 111.058 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.481 ' C ' ' N ' ' A' ' 3' ' ' TRP . 12.4 tpp . . . . . 0 CA--C 1.511 -0.523 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.02 16.98 5.05 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -23.9 144.18 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.503 0 CA-C-O 125.237 2.446 . . . . 0.0 115.429 -177.183 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.552 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.6 -3.23 1.81 Allowed Glycine 0 C--N 1.272 -2.997 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.922 -176.409 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.623 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.31 -3.22 25.89 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.29 -1.955 . . . . 0.0 109.195 178.391 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.935 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -81.97 0.11 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.14 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.793 HE22 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -23.55 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.885 0.374 . . . . 0.0 111.444 175.745 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.805 HG23 HG12 ' A' ' 9' ' ' ILE . 5.5 t -98.53 -40.45 8.23 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.003 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.805 HG12 HG23 ' A' ' 8' ' ' THR . 13.9 mm -128.39 31.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.994 0.902 . . . . 0.0 109.714 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.781 HD12 ' H ' ' A' ' 11' ' ' GLY . 17.7 tp -35.62 154.09 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.863 -1.517 . . . . 0.0 113.682 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.781 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -45.22 -43.76 9.64 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.138 -1.392 . . . . 0.0 112.481 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.31 18.51 11.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.019 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.558 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER . . . . . 0 CA--C 1.509 -0.617 0 CA-C-O 120.438 0.161 . . . . 0.0 111.362 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 60.32 16.91 6.61 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -178.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -23.89 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 125.317 2.484 . . . . 0.0 115.502 -177.108 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.38 -3.09 1.85 Allowed Glycine 0 C--N 1.274 -2.874 1 CA-C-N 107.495 -4.412 . . . . 0.0 106.018 -176.309 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.628 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.46 -3.11 25.84 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 112.235 -1.983 . . . . 0.0 109.122 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.922 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.35 -82.26 0.1 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.011 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.794 HE22 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -23.08 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.907 0.384 . . . . 0.0 111.472 175.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.816 HG23 HG12 ' A' ' 9' ' ' ILE . 5.2 t -97.86 -40.82 8.33 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.816 HG12 HG23 ' A' ' 8' ' ' THR . 13.8 mm -126.84 30.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 109.607 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 18.3 tp -36.57 156.13 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.68 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.711 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.0 -41.22 10.57 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 114.154 -1.384 . . . . 0.0 112.466 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.83 17.12 9.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.949 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.497 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp -145.87 10.12 1.18 Allowed 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 120.531 0.205 . . . . 0.0 111.357 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.34 17.15 5.6 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.684 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.25 144.52 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.582 0 CA-C-O 125.236 2.446 . . . . 0.0 115.492 -177.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.556 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.52 1.93 Allowed Glycine 0 C--N 1.273 -2.957 1 CA-C-N 107.529 -4.396 . . . . 0.0 105.937 -176.32 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.615 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.21 -2.97 26.39 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 112.213 -1.993 . . . . 0.0 109.142 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.939 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.32 -78.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.561 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.723 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -29.1 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 175.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.765 HG23 HG12 ' A' ' 9' ' ' ILE . 9.8 t -95.87 -36.84 10.96 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-O 121.047 0.451 . . . . 0.0 111.267 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.765 HG12 HG23 ' A' ' 8' ' ' THR . 47.9 mm -113.68 -41.27 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.886 0.851 . . . . 0.0 109.824 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 48.05 168.28 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.634 -1.621 . . . . 0.0 113.714 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.77 -20.81 8.46 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 114.303 -1.317 . . . . 0.0 112.45 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.14 35.06 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.585 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.575 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.5 p -59.06 140.56 17.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.877 0.37 . . . . 0.0 111.158 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -131.71 11.54 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 13' ' ' VAL . 66.7 mttm -77.61 -7.21 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -104.06 176.76 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.6 t -81.72 167.15 19.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.4 p -65.21 104.27 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 t -166.6 11.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.765 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.6 pt -110.14 -174.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.35 -145.42 35.94 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.575 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.834 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -91.22 10.1 28.53 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 122.972 0.17 . . . . 0.0 111.29 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.28 17.19 5.55 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 -179.216 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.688 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.28 144.51 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.523 0 CA-C-O 125.31 2.481 . . . . 0.0 115.422 -177.059 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.553 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.35 -3.6 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.483 -4.417 . . . . 0.0 105.924 -176.321 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.619 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.08 -3.0 26.52 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 112.26 -1.97 . . . . 0.0 109.167 178.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.95 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.53 -78.5 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.534 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.709 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.84 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.2 175.713 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.778 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.35 -37.17 11.09 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.113 0.482 . . . . 0.0 111.225 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 8' ' ' THR . 46.0 mm -112.81 -41.87 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.968 0.89 . . . . 0.0 109.797 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.23 170.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.58 -1.646 . . . . 0.0 113.599 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -51.91 -22.03 8.5 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.573 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.01 29.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.839 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 9' ' ' ILE . 7.6 p -63.31 147.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 111.039 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -149.74 95.62 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -153.46 2.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -97.54 -179.76 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -73.85 178.3 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 p -90.32 13.52 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.044 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -84.64 11.25 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 pt -107.21 -172.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.33 174.01 43.1 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.51 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -145.39 10.13 1.25 Allowed 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 123.042 0.214 . . . . 0.0 111.309 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.22 5.57 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -179.284 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.69 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.29 144.67 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.574 0 CA-C-O 125.24 2.448 . . . . 0.0 115.385 -177.106 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.561 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.0 -3.44 1.99 Allowed Glycine 0 C--N 1.272 -2.975 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.93 -176.341 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.63 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.15 -3.06 26.34 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 112.215 -1.992 . . . . 0.0 109.104 178.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.933 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.46 -78.44 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.518 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.716 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.75 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.213 175.714 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.777 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.53 -37.33 10.92 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.988 0.423 . . . . 0.0 111.196 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.777 HG12 HG23 ' A' ' 8' ' ' THR . 46.8 mm -112.47 -41.67 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.931 0.872 . . . . 0.0 109.852 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.2 tp 47.84 169.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.562 -1.653 . . . . 0.0 113.668 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.42 -21.9 14.39 Favored Glycine 0 N--CA 1.436 -1.344 0 CA-C-N 114.282 -1.326 . . . . 0.0 112.553 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.52 31.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.741 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 9' ' ' ILE . 14.9 p -60.53 146.45 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -102.23 101.02 11.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HE2' HG21 ' A' ' 13' ' ' VAL . 68.4 mttm -143.43 -5.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -85.05 2.83 41.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 m 58.77 -173.2 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.7 p -75.4 -161.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m 64.92 12.34 7.74 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.5 pt -109.08 -169.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.015 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.87 -172.82 41.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.545 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.839 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.513 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -147.9 10.02 0.91 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-O 120.491 0.186 . . . . 0.0 111.302 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.27 17.19 5.55 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.538 0 CA-C-O 125.306 2.479 . . . . 0.0 115.392 -177.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.559 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.18 -3.38 1.94 Allowed Glycine 0 C--N 1.273 -2.939 1 CA-C-N 107.454 -4.43 . . . . 0.0 105.903 -176.32 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.626 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.3 -2.96 26.26 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 112.244 -1.978 . . . . 0.0 109.126 178.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.947 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.56 -78.32 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.559 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.715 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.77 -29.57 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.172 175.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.774 HG23 HG12 ' A' ' 9' ' ' ILE . 9.1 t -95.27 -37.54 10.95 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 121.135 0.493 . . . . 0.0 111.224 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.774 HG12 HG23 ' A' ' 8' ' ' THR . 47.1 mm -112.09 -41.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.98 0.895 . . . . 0.0 109.865 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.11 169.65 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.581 -1.645 . . . . 0.0 113.651 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.51 -22.67 11.56 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.644 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 30.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.801 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.624 HG22 ' H ' ' A' ' 15' ' ' LYS . 9.4 p -62.81 150.88 8.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.759 0.314 . . . . 0.0 111.029 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -101.3 15.69 27.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.624 ' H ' HG22 ' A' ' 13' ' ' VAL . 57.1 mtpt -100.28 103.98 15.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.014 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -143.75 174.61 10.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.7 m -126.5 -5.19 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.748 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.8 p -133.28 123.39 25.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -57.09 143.89 36.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.597 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 pt -143.74 -171.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.279 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.15 -102.11 0.96 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.6 mptt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.493 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp -144.98 10.14 1.32 Allowed 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 120.54 0.21 . . . . 0.0 111.333 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.29 17.2 5.58 Favored 'General case' 0 CA--C 1.499 -1.002 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.682 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.32 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.588 0 CA-C-O 125.255 2.455 . . . . 0.0 115.463 -177.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.549 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.58 -3.74 1.88 Allowed Glycine 0 C--N 1.273 -2.952 1 CA-C-N 107.485 -4.416 . . . . 0.0 105.962 -176.319 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.612 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.02 -3.06 26.52 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 112.218 -1.991 . . . . 0.0 109.233 178.39 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.936 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.27 -78.46 0.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.568 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.727 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -29.09 -29.27 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 175.71 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.785 HG23 HG12 ' A' ' 9' ' ' ILE . 9.5 t -95.86 -36.93 10.94 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-O 121.03 0.443 . . . . 0.0 111.32 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.785 HG12 HG23 ' A' ' 8' ' ' THR . 45.7 mm -113.53 -41.22 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.904 0.859 . . . . 0.0 109.873 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.769 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp 47.47 168.63 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.659 -1.61 . . . . 0.0 113.708 178.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.494 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -54.41 -20.29 15.95 Favored Glycine 0 N--CA 1.435 -1.39 0 CA-C-N 114.29 -1.323 . . . . 0.0 112.329 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.33 35.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.485 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 9' ' ' ILE . 7.3 p -57.86 140.86 15.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.817 0.341 . . . . 0.0 111.244 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -129.33 14.41 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.496 ' H ' HG22 ' A' ' 13' ' ' VAL . 28.5 mtpp -72.38 -10.61 60.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -96.75 -72.25 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t 54.06 78.41 0.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.081 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.685 ' H ' HG13 ' A' ' 20' ' ' ILE . 60.9 m -158.22 91.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 t 59.64 13.03 3.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.685 HG13 ' H ' ' A' ' 18' ' ' THR . 2.9 pp -108.92 177.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.378 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.99 -111.29 3.94 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.056 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp -97.67 10.1 40.84 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 123.028 0.205 . . . . 0.0 111.368 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.31 17.14 5.56 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -179.239 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.23 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.583 0 CA-C-O 125.279 2.466 . . . . 0.0 115.466 -177.019 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.56 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.44 -3.51 1.89 Allowed Glycine 0 C--N 1.274 -2.9 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.961 -176.351 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.64 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.12 -3.46 25.83 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 112.339 -1.931 . . . . 0.0 109.195 178.361 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.933 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.62 -83.29 0.09 Allowed 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.883 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.788 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.3 -32.82 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 120.836 0.35 . . . . 0.0 111.571 175.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.85 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -96.5 -40.94 8.82 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-O 121.239 0.542 . . . . 0.0 111.861 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.85 HG12 HG23 ' A' ' 8' ' ' THR . 14.1 mm -124.97 30.34 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.944 0.878 . . . . 0.0 109.455 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.786 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.9 tp -38.46 162.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.922 -1.49 . . . . 0.0 113.401 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.615 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.57 -24.0 1.57 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 114.149 -1.387 . . . . 0.0 112.972 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.56 30.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.099 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 6.2 p -61.8 136.94 24.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 111.05 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.48 87.8 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -137.46 -16.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -97.63 150.19 21.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 t -80.37 -57.32 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.8 p -70.96 101.42 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.1 p -61.34 147.72 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.688 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 pt -143.14 20.15 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.235 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.41 105.79 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.7 mptt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.345 -0.836 . . . . 0.0 111.021 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -111.26 10.1 21.71 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 123.04 0.212 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.21 17.21 5.49 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.25 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.56 0 CA-C-O 125.269 2.461 . . . . 0.0 115.485 -177.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.61 -3.7 1.87 Allowed Glycine 0 C--N 1.272 -3.005 1 CA-C-N 107.429 -4.441 . . . . 0.0 105.996 -176.266 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.634 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -102.99 -3.42 26.06 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 112.276 -1.962 . . . . 0.0 109.222 178.376 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.897 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.58 -83.37 0.09 Allowed 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.859 179.737 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.78 HE22 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -21.88 -33.14 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.877 0.37 . . . . 0.0 111.58 175.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.833 HG23 HG12 ' A' ' 9' ' ' ILE . 4.9 t -96.09 -41.37 8.76 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.226 0.536 . . . . 0.0 111.741 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.833 HG12 HG23 ' A' ' 8' ' ' THR . 14.3 mm -123.48 29.93 2.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.007 0.908 . . . . 0.0 109.441 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.9 tp -38.42 162.92 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.837 -1.529 . . . . 0.0 113.547 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.603 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -47.45 -24.93 2.79 Favored Glycine 0 N--CA 1.437 -1.285 0 CA-C-N 114.024 -1.444 . . . . 0.0 113.343 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.58 25.16 0.24 Allowed Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.221 -0.99 . . . . 0.0 113.587 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.762 HG13 ' H ' ' A' ' 15' ' ' LYS . 8.5 p -71.17 162.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.109 0.454 . . . . 0.0 110.769 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.48 ' N ' HG22 ' A' ' 13' ' ' VAL . 78.7 m-20 -61.91 -6.19 2.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.27 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.762 ' H ' HG13 ' A' ' 13' ' ' VAL . 96.1 mttt 62.11 102.91 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.976 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -109.94 173.61 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.949 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -78.84 168.18 20.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.3 p -96.83 7.92 45.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -87.31 11.7 13.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.77 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 pt -108.03 -173.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.201 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.71 120.86 0.58 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.552 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 3.8 mptp? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.505 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -111.21 10.04 21.79 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 123.017 0.198 . . . . 0.0 111.281 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.41 17.03 5.59 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.1 144.1 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.534 0 CA-C-O 125.33 2.491 . . . . 0.0 115.46 -177.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.55 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.79 -3.57 1.8 Allowed Glycine 0 C--N 1.273 -2.928 1 CA-C-N 107.489 -4.414 . . . . 0.0 105.968 -176.389 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.624 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.0 -3.69 25.68 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 112.274 -1.963 . . . . 0.0 109.17 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.91 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.35 -83.74 0.08 Allowed 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.774 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.789 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -21.89 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 120.901 0.382 . . . . 0.0 111.688 175.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.839 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -95.63 -41.19 9.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-O 121.257 0.551 . . . . 0.0 111.826 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.839 HG12 HG23 ' A' ' 8' ' ' THR . 14.6 mm -123.12 29.45 2.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.048 0.928 . . . . 0.0 109.4 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.792 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -39.43 164.3 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.376 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.553 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -47.07 -23.65 1.74 Allowed Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.834 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 31.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.954 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 7.4 p -62.59 141.12 18.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.807 0.336 . . . . 0.0 111.146 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -132.13 13.04 4.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.631 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' H ' HG22 ' A' ' 13' ' ' VAL . 60.4 pttt -162.58 135.39 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -168.54 145.16 3.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -147.02 107.8 4.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.4 p 51.22 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.513 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.9 t 60.01 12.4 3.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 pt -124.15 18.58 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.43 167.34 26.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.56 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -145.56 9.99 1.22 Allowed 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 120.541 0.21 . . . . 0.0 111.374 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.39 17.14 5.66 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -179.253 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.688 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.27 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.536 0 CA-C-O 125.224 2.44 . . . . 0.0 115.438 -177.067 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.56 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.28 -3.47 1.92 Allowed Glycine 0 C--N 1.273 -2.95 1 CA-C-N 107.527 -4.397 . . . . 0.0 105.934 -176.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.624 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.16 -3.08 26.31 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 112.296 -1.952 . . . . 0.0 109.164 178.32 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.926 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.55 -78.49 0.16 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.474 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.7 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.65 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.129 175.736 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.776 HG23 HG12 ' A' ' 9' ' ' ILE . 9.5 t -94.8 -37.77 11.08 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 121.075 0.464 . . . . 0.0 111.123 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.776 HG12 HG23 ' A' ' 8' ' ' THR . 47.6 mm -111.62 -42.6 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.887 0.851 . . . . 0.0 109.784 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.6 tp 48.61 169.1 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.789 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.92 -22.94 21.17 Favored Glycine 0 N--CA 1.435 -1.379 0 CA-C-N 114.262 -1.335 . . . . 0.0 112.702 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.08 33.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.914 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.603 ' HB ' HD23 ' A' ' 10' ' ' LEU . 8.4 p -73.12 3.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.154 0.502 . . . . 0.0 111.222 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -134.96 11.41 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.793 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.0 89.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -93.25 103.26 15.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.063 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.6 t -102.49 -34.03 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.5 p -133.87 153.56 51.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.81 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.8 p -52.5 131.3 33.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.761 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 pp -147.32 174.51 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.384 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.84 -143.7 4.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.6 pttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.02 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.5 tpp -90.35 10.04 26.54 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.006 0.191 . . . . 0.0 111.298 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.25 17.16 5.5 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.698 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.22 144.49 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.545 0 CA-C-O 125.337 2.494 . . . . 0.0 115.397 -177.058 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.549 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.39 -3.71 1.92 Allowed Glycine 0 C--N 1.274 -2.903 1 CA-C-N 107.46 -4.427 . . . . 0.0 105.951 -176.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.621 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -102.89 -3.57 26.02 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 112.268 -1.966 . . . . 0.0 109.211 178.356 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.897 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.42 -83.67 0.08 Allowed 'General case' 0 C--O 1.206 -1.218 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.863 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.798 HE22 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -22.01 -33.09 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 120.872 0.368 . . . . 0.0 111.619 175.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.851 HG23 HG12 ' A' ' 9' ' ' ILE . 4.9 t -95.95 -41.62 8.69 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.804 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.851 HG12 HG23 ' A' ' 8' ' ' THR . 13.2 mm -123.3 29.71 2.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.029 0.919 . . . . 0.0 109.51 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.785 ' N ' ' O ' ' A' ' 6' ' ' LEU . 15.1 tp -38.49 161.95 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.899 -1.501 . . . . 0.0 113.62 -178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.616 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -50.82 -23.36 6.87 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 113.995 -1.457 . . . . 0.0 113.18 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.9 26.9 0.39 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.733 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.676 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 8.5 p -78.25 8.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.204 0.526 . . . . 0.0 110.731 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.416 ' H ' ' H ' ' A' ' 15' ' ' LYS . 6.8 t30 -169.64 -17.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.716 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' H ' ' H ' ' A' ' 14' ' ' ASN . 53.4 mtmt 59.55 97.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -106.63 170.6 7.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 m -82.96 3.68 29.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.712 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.606 ' HB ' HG13 ' A' ' 20' ' ' ILE . 78.8 p -68.9 140.14 55.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 t -87.75 12.89 11.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.606 HG13 ' HB ' ' A' ' 18' ' ' THR . 2.9 pp -103.92 174.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.455 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.55 -91.99 1.74 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.874 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.5 tpt -106.27 9.9 31.89 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 120.509 0.195 . . . . 0.0 111.362 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.27 17.18 5.54 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.15 144.41 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.532 0 CA-C-O 125.244 2.45 . . . . 0.0 115.445 -177.128 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.556 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.25 -3.26 1.91 Allowed Glycine 0 C--N 1.272 -2.985 1 CA-C-N 107.492 -4.413 . . . . 0.0 105.994 -176.318 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.38 -3.3 25.68 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 112.227 -1.987 . . . . 0.0 109.193 178.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.89 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.07 -82.34 0.1 Allowed 'General case' 0 C--O 1.208 -1.086 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.952 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.78 HE22 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -23.35 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 175.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.854 HG23 HG12 ' A' ' 9' ' ' ILE . 5.2 t -97.74 -40.96 8.31 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.964 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.854 HG12 HG23 ' A' ' 8' ' ' THR . 13.5 mm -125.58 30.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.964 0.888 . . . . 0.0 109.671 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.95 155.92 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.956 -1.475 . . . . 0.0 113.586 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.733 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -56.53 -20.37 30.58 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 113.86 -1.518 . . . . 0.0 113.286 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.456 ' H ' ' HG ' ' A' ' 10' ' ' LEU . . . -126.01 -23.96 1.55 Allowed Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.375 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.65 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.4 p -55.22 153.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.857 0.36 . . . . 0.0 111.268 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.457 ' HB3' HD11 ' A' ' 20' ' ' ILE . 21.6 p-10 -138.17 109.26 6.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -166.73 -5.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.994 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -96.37 -35.81 11.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 t -169.33 147.45 3.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.3 m -96.67 92.69 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -158.38 11.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.671 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 14' ' ' ASN . 28.3 pt -112.73 -173.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.035 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.74 -111.47 3.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.541 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.974 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.499 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.4 tpp -88.92 10.08 22.6 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 122.986 0.179 . . . . 0.0 111.257 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.3 17.18 5.57 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 -179.188 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.679 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.26 144.39 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.594 0 CA-C-O 125.214 2.435 . . . . 0.0 115.398 -177.074 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.31 -3.36 1.9 Allowed Glycine 0 C--N 1.272 -2.995 1 CA-C-N 107.567 -4.379 . . . . 0.0 106.011 -176.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.616 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.15 -3.19 26.16 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 112.193 -2.004 . . . . 0.0 109.127 178.298 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.926 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.54 -78.36 0.16 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.442 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.725 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.97 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.151 175.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.769 HG23 HG12 ' A' ' 9' ' ' ILE . 9.9 t -95.21 -37.2 11.14 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.147 0.499 . . . . 0.0 111.18 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.769 HG12 HG23 ' A' ' 8' ' ' THR . 47.7 mm -112.38 -42.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.886 0.85 . . . . 0.0 109.82 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.8 tp 47.5 169.9 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 113.528 -1.669 . . . . 0.0 113.707 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.473 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -55.76 -20.32 24.82 Favored Glycine 0 N--CA 1.434 -1.444 0 CA-C-N 114.307 -1.315 . . . . 0.0 112.293 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.08 35.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.587 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.541 ' HB ' HD23 ' A' ' 10' ' ' LEU . 7.5 p -58.81 143.97 12.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.801 0.334 . . . . 0.0 111.272 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -135.51 15.55 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.805 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' H ' HG22 ' A' ' 13' ' ' VAL . 53.1 mtmt -74.76 -12.18 60.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -83.75 138.22 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.2 m -63.96 -52.59 59.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.572 HG22 ' H ' ' A' ' 20' ' ' ILE . 26.4 m -65.37 152.06 44.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.498 ' O ' HG12 ' A' ' 20' ' ' ILE . 10.7 t -76.56 2.85 12.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.572 ' H ' HG22 ' A' ' 18' ' ' THR . 4.8 pt 45.39 -169.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.186 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' N ' HG13 ' A' ' 20' ' ' ILE . . . 99.6 -65.59 0.63 Allowed Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.519 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 mttm . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.027 -179.776 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.499 ' C ' ' N ' ' A' ' 3' ' ' TRP . 12.5 tpp -90.77 10.04 27.63 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 122.99 0.181 . . . . 0.0 111.301 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.35 17.17 5.63 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.15 144.42 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.561 0 CA-C-O 125.234 2.445 . . . . 0.0 115.444 -177.146 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.557 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.36 -3.48 1.9 Allowed Glycine 0 C--N 1.272 -3.006 1 CA-C-N 107.523 -4.398 . . . . 0.0 105.924 -176.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.12 -2.97 26.51 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 112.232 -1.984 . . . . 0.0 109.14 178.331 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.898 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.42 -78.47 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.531 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.717 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.73 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 175.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.778 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.2 -37.53 10.99 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.045 0.45 . . . . 0.0 111.107 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.778 HG12 HG23 ' A' ' 8' ' ' THR . 47.4 mm -112.16 -42.27 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.967 0.889 . . . . 0.0 109.836 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.77 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.9 tp 48.62 169.47 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.662 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -51.71 -22.77 9.01 Favored Glycine 0 N--CA 1.437 -1.289 0 CA-C-N 114.247 -1.342 . . . . 0.0 112.664 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.37 32.48 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.133 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 9' ' ' ILE . 3.7 p -79.21 13.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.984 0.421 . . . . 0.0 111.072 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -82.34 86.35 6.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.288 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HE2' ' HA ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -129.76 -4.75 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.577 179.636 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -121.68 -25.0 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.3 t 65.21 144.56 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.5 m 64.85 121.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.272 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.6 p -54.78 144.06 23.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 pt -142.86 19.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.308 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.61 -78.96 0.21 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.532 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.853 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.572 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 1.3 ttt -90.73 11.93 20.75 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.468 0.175 . . . . 0.0 111.351 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 60.22 17.05 6.6 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.24 144.61 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.541 0 CA-C-O 125.335 2.493 . . . . 0.0 115.438 -177.095 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.55 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.21 -3.24 1.92 Allowed Glycine 0 C--N 1.273 -2.967 1 CA-C-N 107.476 -4.42 . . . . 0.0 105.955 -176.292 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.636 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.2 -3.08 26.24 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 112.321 -1.939 . . . . 0.0 109.163 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.902 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.66 -78.54 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.485 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.735 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.86 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 175.743 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.779 HG23 HG12 ' A' ' 9' ' ' ILE . 9.2 t -95.1 -37.47 11.07 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 121.102 0.477 . . . . 0.0 111.156 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.779 HG12 HG23 ' A' ' 8' ' ' THR . 46.6 mm -112.32 -42.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.877 0.846 . . . . 0.0 109.792 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.768 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.4 tp 47.94 171.13 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.639 -1.619 . . . . 0.0 113.621 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.51 -22.04 10.26 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.357 -1.292 . . . . 0.0 112.576 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.47 28.8 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.844 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 9' ' ' ILE . 9.6 p -65.26 157.41 5.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 66.65 -4.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.514 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 13' ' ' VAL . 32.5 mmmt 53.44 93.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.222 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -152.17 174.13 14.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.5 m -98.81 -61.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -134.98 -162.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.5 m -48.47 146.97 2.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.3 pt -135.22 178.46 5.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.214 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.96 60.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.602 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.9 mptt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.2 tpp -144.74 10.01 1.36 Allowed 'General case' 0 CA--C 1.509 -0.62 0 O-C-N 123.039 0.212 . . . . 0.0 111.34 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.32 17.2 5.63 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.14 144.44 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.254 2.454 . . . . 0.0 115.402 -177.081 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.553 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.25 1.9 Allowed Glycine 0 C--N 1.274 -2.902 1 CA-C-N 107.479 -4.419 . . . . 0.0 105.93 -176.364 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.627 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.42 -3.29 25.65 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 112.238 -1.981 . . . . 0.0 109.194 178.394 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.896 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.15 -82.03 0.1 Allowed 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.03 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.779 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -23.55 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.494 175.811 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.826 HG23 HG12 ' A' ' 9' ' ' ILE . 5.5 t -98.0 -40.54 8.41 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.826 HG12 HG23 ' A' ' 8' ' ' THR . 18.4 mm -126.71 30.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 122.092 0.948 . . . . 0.0 109.767 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.4 tp -36.97 156.13 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.581 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.743 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -56.04 -19.34 22.67 Favored Glycine 0 N--CA 1.435 -1.391 0 CA-C-N 113.813 -1.54 . . . . 0.0 113.422 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.416 ' H ' ' HG ' ' A' ' 10' ' ' LEU . . . -129.64 -23.67 1.07 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.568 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 2.3 p -54.95 159.19 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.293 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -121.16 108.6 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -140.42 -11.74 1.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -64.05 -69.87 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.6 m -154.33 -75.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.1 p -141.98 -67.25 0.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.8 p -87.23 149.71 24.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.817 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.7 pt -140.29 19.61 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.202 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -166.83 -67.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.527 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.492 ' H ' ' HD2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt -136.0 9.98 3.3 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 122.978 0.173 . . . . 0.0 111.238 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.24 17.23 5.54 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.686 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -24.21 144.48 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.554 0 CA-C-O 125.297 2.475 . . . . 0.0 115.408 -177.136 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.559 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.26 -3.57 1.94 Allowed Glycine 0 C--N 1.274 -2.914 1 CA-C-N 107.525 -4.398 . . . . 0.0 105.945 -176.34 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.63 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.03 -3.11 26.44 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 112.228 -1.986 . . . . 0.0 109.119 178.334 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.899 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -78.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.526 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.73 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.8 -29.65 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.2 175.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.775 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.18 -37.44 11.04 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 121.059 0.456 . . . . 0.0 111.193 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.775 HG12 HG23 ' A' ' 8' ' ' THR . 46.1 mm -112.3 -42.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.977 0.894 . . . . 0.0 109.858 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.3 tp 48.71 168.14 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.541 -1.663 . . . . 0.0 113.723 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.524 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -53.22 -23.08 16.13 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.645 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.58 35.27 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.948 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.585 ' HB ' HD23 ' A' ' 10' ' ' LEU . 6.0 p -75.57 11.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 121.138 0.494 . . . . 0.0 111.243 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -70.94 103.93 2.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -153.58 -1.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -90.03 165.77 13.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -141.65 -48.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p -126.62 -168.22 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.476 ' O ' HG12 ' A' ' 20' ' ' ILE . 50.9 m 59.75 -139.86 0.66 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.467 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 19' ' ' SER . 6.5 pt 46.45 -169.45 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 122.83 0.452 . . . . 0.0 112.044 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' N ' HG13 ' A' ' 20' ' ' ILE . . . 76.97 173.02 37.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.469 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 12.7 mptt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.508 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 2.4 tpt -144.38 9.99 1.44 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 120.504 0.192 . . . . 0.0 111.35 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.33 17.25 5.68 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.43 144.64 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.52 0 CA-C-O 125.294 2.473 . . . . 0.0 115.396 -177.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.548 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.15 -3.53 1.96 Allowed Glycine 0 C--N 1.273 -2.918 1 CA-C-N 107.477 -4.42 . . . . 0.0 105.927 -176.303 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.606 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.05 -3.1 26.42 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 112.212 -1.994 . . . . 0.0 109.158 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.94 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.48 -78.69 0.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.445 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.7 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -28.54 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.879 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.227 175.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.767 HG23 HG12 ' A' ' 9' ' ' ILE . 9.0 t -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 121.036 0.446 . . . . 0.0 111.101 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.767 HG12 HG23 ' A' ' 8' ' ' THR . 47.3 mm -112.2 -42.23 4.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.867 0.842 . . . . 0.0 109.683 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 6' ' ' LEU . 13.2 tp 47.67 171.77 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.632 -1.622 . . . . 0.0 113.593 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.456 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -52.32 -21.39 8.46 Favored Glycine 0 N--CA 1.436 -1.327 0 CA-C-N 114.373 -1.285 . . . . 0.0 112.51 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.49 28.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.855 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 9' ' ' ILE . 10.0 p -65.03 152.72 8.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.832 0.349 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -149.17 -19.36 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -93.67 125.59 38.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -143.47 -65.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 t -162.84 -65.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.9 p -97.14 -173.05 2.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.489 ' O ' HG12 ' A' ' 20' ' ' ILE . 9.6 m -78.01 3.72 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 19' ' ' SER . 4.8 pt 45.86 -169.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.218 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' N ' HG13 ' A' ' 20' ' ' ILE . . . 150.19 68.31 0.01 OUTLIER Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.083 -0.961 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.505 ' HB3' ' CD2' ' A' ' 3' ' ' TRP . 12.3 tpp -90.85 9.96 28.16 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 123.031 0.207 . . . . 0.0 111.26 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER 59.36 17.28 5.74 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.241 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.693 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -24.38 144.22 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.6 0 CA-C-O 125.204 2.431 . . . . 0.0 115.504 -177.025 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.555 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.63 -3.53 1.84 Allowed Glycine 0 C--N 1.273 -2.97 1 CA-C-N 107.524 -4.398 . . . . 0.0 105.95 -176.328 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.642 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.09 -3.5 25.81 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 112.254 -1.973 . . . . 0.0 109.183 178.345 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.937 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -78.48 -83.52 0.09 Allowed 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.835 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.788 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -22.04 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 120.884 0.374 . . . . 0.0 111.567 175.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.848 HG23 HG12 ' A' ' 9' ' ' ILE . 5.0 t -95.97 -41.45 8.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.233 0.54 . . . . 0.0 111.74 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.848 HG12 HG23 ' A' ' 8' ' ' THR . 14.2 mm -123.54 30.06 2.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.896 0.855 . . . . 0.0 109.409 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.79 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.6 tp -38.7 163.31 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.921 -1.491 . . . . 0.0 113.514 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.6 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.13 -25.1 1.68 Allowed Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.158 -1.383 . . . . 0.0 113.124 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.92 27.26 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.271 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' A' ' 10' ' ' LEU . 10.9 p -66.01 144.75 14.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.97 0.385 . . . . 0.0 111.058 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -133.74 89.38 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -142.08 -4.73 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -95.41 149.72 21.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.7 m -138.55 105.86 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.7 p 51.52 -170.09 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.393 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.443 ' O ' HG12 ' A' ' 20' ' ' ILE . 51.6 m 56.67 -135.7 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.582 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 19' ' ' SER . 8.6 pt 45.67 22.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.182 0 O-C-N 123.44 0.463 . . . . 0.0 112.139 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.77 -73.65 0.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.583 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 pttt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.417 -0.801 . . . . 0.0 111.023 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.481 ' C ' ' N ' ' A' ' 3' ' ' TRP . 12.4 tpp 58.63 8.08 0.84 Allowed 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.02 16.98 5.05 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -23.9 144.18 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.503 0 CA-C-O 125.237 2.446 . . . . 0.0 115.429 -177.183 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.552 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.6 -3.23 1.81 Allowed Glycine 0 C--N 1.272 -2.997 1 CA-C-N 107.465 -4.425 . . . . 0.0 105.922 -176.409 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.623 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.31 -3.22 25.89 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.29 -1.955 . . . . 0.0 109.195 178.391 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.935 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.34 -81.97 0.11 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.14 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.793 HE22 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -23.55 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 120.885 0.374 . . . . 0.0 111.444 175.745 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.805 HG23 HG12 ' A' ' 9' ' ' ILE . 5.5 t -98.53 -40.45 8.23 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.003 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.805 HG12 HG23 ' A' ' 8' ' ' THR . 13.9 mm -128.39 31.27 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.994 0.902 . . . . 0.0 109.714 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.781 HD12 ' H ' ' A' ' 11' ' ' GLY . 17.7 tp -35.62 154.09 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.863 -1.517 . . . . 0.0 113.682 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.781 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -45.22 -43.76 9.64 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 114.138 -1.392 . . . . 0.0 112.481 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.31 18.51 11.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.019 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -37.45 139.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.428 ' H ' ' H ' ' A' ' 15' ' ' LYS . 22.8 t-20 -178.19 4.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.778 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' H ' ' H ' ' A' ' 14' ' ' ASN . 35.1 mmtp -63.84 -10.01 18.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -64.19 174.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 p -59.71 -62.83 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.7 m -147.23 -75.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 p -68.84 163.98 23.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.561 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 pt -143.92 161.3 15.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.19 105.34 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.558 ' HG2' ' CE3' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -145.83 11.65 1.25 Allowed 'General case' 0 CA--C 1.509 -0.617 0 O-C-N 122.997 0.186 . . . . 0.0 111.362 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER 60.32 16.91 6.61 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -178.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -23.89 144.37 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.557 0 CA-C-O 125.317 2.484 . . . . 0.0 115.502 -177.108 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.544 ' H ' ' CD2' ' A' ' 6' ' ' LEU . . . 142.38 -3.09 1.85 Allowed Glycine 0 C--N 1.274 -2.874 1 CA-C-N 107.495 -4.412 . . . . 0.0 106.018 -176.309 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.628 HG22 ' HZ3' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -103.46 -3.11 25.84 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 112.235 -1.983 . . . . 0.0 109.122 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.922 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -79.35 -82.26 0.1 Allowed 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.011 179.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.794 HE22 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -23.08 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 120.907 0.384 . . . . 0.0 111.472 175.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.816 HG23 HG12 ' A' ' 9' ' ' ILE . 5.2 t -97.86 -40.82 8.33 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.971 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.816 HG12 HG23 ' A' ' 8' ' ' THR . 13.8 mm -126.84 30.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 109.607 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.773 ' N ' ' O ' ' A' ' 6' ' ' LEU . 18.3 tp -36.57 156.13 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.68 -178.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.711 ' H ' HD12 ' A' ' 10' ' ' LEU . . . -46.0 -41.22 10.57 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 114.154 -1.384 . . . . 0.0 112.466 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.83 17.12 9.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.949 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.95 142.07 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.433 ' H ' ' H ' ' A' ' 15' ' ' LYS . 3.0 t-20 -177.64 -13.51 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.84 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' H ' ' H ' ' A' ' 14' ' ' ASN . 21.9 pttp -141.46 151.03 43.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -138.37 137.44 37.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 t -78.65 -8.44 58.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -133.33 119.35 19.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -57.8 144.53 38.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.665 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 pt -143.9 20.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.298 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.21 155.09 22.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.549 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 stop_ save_