data_2n1o_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 2n1o _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 ' 11' ' ' TRP . . . . . 0.633 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 74.7 m95 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.996 0.427 . . . . 15.0 110.426 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -104.56 150.02 24.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.045 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HZ1' ' HB3' ' A' ' 13' ' ' LYS . 3.7 mtpm? -97.54 113.11 24.75 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.856 0.836 . . . . 15.0 109.816 172.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -125.66 150.61 47.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.164 -1.38 . . . . 15.0 109.241 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.4 mtt -89.33 124.1 34.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.609 0.719 . . . . 15.0 110.99 -173.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.658 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 25.9 p -90.17 150.07 22.16 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.02 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -69.62 -57.49 5.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.009 -1.45 . . . . 15.0 113.643 -165.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.8 p -69.62 -53.96 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.134 0.791 . . . . 15.0 113.134 -166.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.569 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 38.5 t -89.74 -10.2 46.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.237 . . . . 15.0 111.373 -175.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 57.2 18.4 Favored Glycine 0 C--N 1.333 0.389 0 N-CA-C 110.036 -1.226 . . . . 15.0 110.036 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -121.94 150.18 42.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.096 -0.552 . . . . 15.0 110.478 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 m -89.47 95.62 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.733 0.778 . . . . 15.0 110.158 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.658 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 14.0 p90 -99.55 150.37 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.977 -1.011 . . . . 15.0 109.997 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 45.7 m-85 -89.66 115.32 26.95 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.556 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.693 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 44.2 t80 -110.91 128.07 55.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.659 ' OD1' HG12 ' A' ' 28' ' ' ILE . 26.6 t30 -122.76 124.16 42.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.592 -0.276 . . . . 15.0 110.654 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.693 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.4 p80 -97.58 -3.66 39.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.673 0.62 . . . . 15.0 112.673 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.659 HG12 ' OD1' ' A' ' 26' ' ' ASN . 23.6 pt -79.73 -41.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.534 -0.866 . . . . 15.0 109.144 174.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 m -90.29 -17.6 27.11 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.656 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 t30 67.58 18.09 9.95 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.763 0.792 . . . . 15.0 109.583 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.06 150.1 20.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.613 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 t -132.32 125.98 32.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.217 -0.447 . . . . 15.0 109.948 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 46.5 mt-30 -132.06 112.17 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.924 -175.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.569 ' HZ3' ' HB3' ' A' ' 19' ' ' SER . 13.2 m95 -69.67 -37.95 76.89 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 122.044 0.926 . . . . 15.0 108.839 169.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 1.3 pt-20 -80.12 156.25 27.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.824 -1.535 . . . . 15.0 107.776 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -69.75 125.96 92.27 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.408 . . . . 15.0 111.52 -167.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 C--N 1.352 0.711 0 C-N-CA 123.921 3.081 . . . . 15.0 113.457 -175.494 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.6 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.982 -0.377 . . . . 15.0 109.982 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.87 150.17 22.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.613 0.721 . . . . 15.0 111.385 -171.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.738 ' HZ2' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -89.89 104.25 16.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.325 -0.852 . . . . 15.0 110.466 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.558 ' HD3' ' H ' ' A' ' 15' ' ' MET . 17.1 tpp180 -124.56 150.24 46.11 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.162 -1.381 . . . . 15.0 108.292 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.558 ' H ' ' HD3' ' A' ' 14' ' ' ARG . 2.0 mpt? -89.52 130.66 35.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.432 0.634 . . . . 15.0 110.94 -171.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.783 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 82.6 p -89.89 135.36 33.68 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.001 -0.999 . . . . 15.0 109.97 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -74.89 -31.07 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.535 -165.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.528 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 38.5 t -78.02 -64.79 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.21 -175.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 m -87.04 -9.97 54.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.314 0.486 . . . . 15.0 112.314 -173.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.92 54.38 25.2 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.161 -1.176 . . . . 15.0 110.161 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.505 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 4.8 mmp_? -131.6 150.8 52.02 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 114.935 -0.632 . . . . 15.0 110.619 -168.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.674 ' HB ' ' CE ' ' A' ' 13' ' ' LYS . 2.9 m -88.95 94.49 4.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 122.486 1.136 . . . . 15.0 110.406 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 9.1 p90 -89.83 150.57 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 113.863 -1.517 . . . . 15.0 108.952 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -89.24 110.34 21.12 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.154 0.502 . . . . 15.0 109.648 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.597 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 38.5 t80 -108.92 130.71 55.45 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.583 -0.735 . . . . 15.0 109.608 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.577 ' CG ' HG12 ' A' ' 28' ' ' ILE . 40.8 t-20 -129.65 127.0 39.68 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.5 -0.48 . . . . 15.0 110.155 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.597 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.9 p80 -91.16 0.48 57.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.577 HG12 ' CG ' ' A' ' 26' ' ' ASN . 17.3 pt -75.87 -42.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 108.937 -0.764 . . . . 15.0 108.937 171.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.501 ' N ' HG13 ' A' ' 28' ' ' ILE . 9.4 p -90.36 -20.76 22.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.388 -0.824 . . . . 15.0 111.398 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 71.7 13.09 6.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.123 0.963 . . . . 15.0 109.212 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 141.04 29.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.277 -0.874 . . . . 15.0 111.249 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -120.17 109.49 15.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.551 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.548 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 5.8 mt-30 -123.5 106.06 10.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.392 0.515 . . . . 15.0 112.392 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.783 ' CZ2' ' HB2' ' A' ' 16' ' ' SER . 7.1 m0 -74.57 -27.22 60.4 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.113 -1.069 . . . . 15.0 108.113 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -95.1 147.71 23.14 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.731 -1.577 . . . . 15.0 106.933 178.218 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.1 mpp_? -69.7 126.24 92.43 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.873 0.694 . . . . 15.0 112.873 -162.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 67.6 Cg_exo . . . . . 0 C--N 1.354 0.84 0 C-N-CA 124.075 3.183 . . . . 15.0 112.826 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.699 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 71.3 m95 . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 121.184 0.516 . . . . 15.0 110.295 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -96.24 150.12 20.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.3 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 1.3 mmpt? -93.41 103.42 15.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.437 0.637 . . . . 15.0 110.48 176.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -120.28 150.2 41.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.579 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.5 ptp -89.74 130.24 36.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.713 0.768 . . . . 15.0 110.839 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 23.2 p -89.91 131.75 35.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.876 -1.056 . . . . 15.0 109.851 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 17' ' ' ARG . 48.4 ttt-85 -69.97 -25.49 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.25 -0.886 . . . . 15.0 113.048 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.574 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 15.3 m -69.81 -70.17 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.732 0.301 . . . . 15.0 111.392 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 m -90.03 -9.89 46.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.679 0.251 . . . . 15.0 111.679 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.18 50.72 21.06 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.85 -0.9 . . . . 15.0 110.85 -174.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 5.0 mmp_? -122.87 150.48 42.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.47 -0.365 . . . . 15.0 110.805 -172.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.2 91.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.809 0.814 . . . . 15.0 110.873 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.529 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 17.1 p90 -90.03 150.8 21.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.185 -1.37 . . . . 15.0 109.369 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.66 111.59 22.59 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.196 0.522 . . . . 15.0 109.672 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.75 ' HD1' ' HG ' ' A' ' 32' ' ' SER . 16.1 t80 -97.59 119.41 36.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.019 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.799 HD22 HG12 ' A' ' 28' ' ' ILE . 21.7 t-20 -108.15 135.15 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 122.219 -0.301 . . . . 15.0 110.462 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.618 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.8 p80 -111.84 5.11 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.799 HG12 HD22 ' A' ' 26' ' ' ASN . 36.2 pt -81.93 -41.34 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 119.573 -0.851 . . . . 15.0 108.757 172.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 m -90.13 -22.81 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.675 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.6 t30 73.81 25.96 1.89 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.095 -0.957 . . . . 15.0 109.849 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 136.74 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.261 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.75 ' HG ' ' HD1' ' A' ' 25' ' ' PHE . 60.0 m -106.09 114.73 29.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.848 -0.615 . . . . 15.0 110.243 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 17.3 mm-40 -122.24 124.06 42.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.904 0.705 . . . . 15.0 112.904 -171.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.574 ' HH2' ' HB2' ' A' ' 18' ' ' SER . 21.4 m95 -80.13 -56.47 4.2 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.862 0.839 . . . . 15.0 109.459 170.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.82 159.21 34.71 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.895 -1.502 . . . . 15.0 108.479 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -69.56 117.03 49.04 Favored Pre-proline 0 N--CA 1.466 0.363 0 N-CA-C 112.408 0.522 . . . . 15.0 112.408 -163.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo . . . . . 0 C--N 1.349 0.554 0 C-N-CA 123.888 3.059 . . . . 15.0 113.296 -178.131 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.66 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 38.5 m95 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 121.344 0.592 . . . . 15.0 110.554 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -89.69 142.24 27.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.715 -173.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.713 ' HA ' ' HZ2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -89.94 94.93 10.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.857 0.837 . . . . 15.0 110.01 170.659 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -116.45 150.48 37.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.095 -1.411 . . . . 15.0 109.097 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -89.38 136.73 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.476 0.655 . . . . 15.0 110.454 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.598 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 16.1 m -89.87 134.86 33.97 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.659 -1.155 . . . . 15.0 109.028 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 17' ' ' ARG . 42.3 ttt-85 -69.5 -70.08 0.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.82 1.325 . . . . 15.0 113.269 -160.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 m -71.55 -42.02 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -171.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 t -90.27 -15.02 32.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.448 0.536 . . . . 15.0 112.448 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.08 6.33 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.353 -0.927 . . . . 15.0 112.152 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.511 ' HD2' ' CE3' ' A' ' 34' ' ' TRP . 90.2 mtt180 -124.91 150.33 46.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 122.75 -0.264 . . . . 15.0 111.211 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.671 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 2.5 m -89.47 89.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.281 -0.887 . . . . 15.0 110.469 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.623 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 8.6 p90 -93.49 148.91 21.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 15.0 109.776 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -91.55 108.56 19.98 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.865 0.364 . . . . 15.0 110.461 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.669 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 8.5 t80 -93.68 119.22 32.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.727 0.299 . . . . 15.0 110.202 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.863 HD22 HG12 ' A' ' 28' ' ' ILE . 18.8 t-20 -105.37 132.67 51.27 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 122.005 -0.434 . . . . 15.0 110.399 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.669 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.4 p80 -108.76 -2.35 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.863 HG12 HD22 ' A' ' 26' ' ' ASN . 49.4 pt -75.56 -44.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 119.347 -0.941 . . . . 15.0 109.081 174.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.426 ' N ' HG13 ' A' ' 28' ' ' ILE . 8.4 m -90.32 -14.17 33.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.403 170.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 3.7 t-20 68.99 22.82 6.84 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.752 0.787 . . . . 15.0 109.985 -177.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.18 125.14 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.111 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.9 m -95.52 109.62 21.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.07 -0.513 . . . . 15.0 110.293 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.66 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 45.2 mt-30 -113.35 141.0 47.57 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 120.954 0.407 . . . . 15.0 111.468 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.623 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 13.6 m0 -104.85 -27.85 11.49 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 122.501 1.144 . . . . 15.0 108.162 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -83.21 153.66 24.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 112.636 -2.075 . . . . 15.0 108.062 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -69.66 122.67 86.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 15.0 111.228 -168.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo . . . . . 0 C--N 1.345 0.368 0 C-N-CA 123.863 3.042 . . . . 15.0 114.305 -170.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.583 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 15.9 m95 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.76 0.314 . . . . 15.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.802 ' HG2' ' O ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.84 146.45 24.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.298 0.571 . . . . 15.0 111.487 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.767 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 42.6 mmtt -89.79 105.74 18.0 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.686 0.755 . . . . 15.0 109.046 172.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -117.71 150.0 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.576 -1.193 . . . . 15.0 108.94 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.51 134.15 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.541 0.686 . . . . 15.0 112.139 -168.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.827 ' HG ' ' HD1' ' A' ' 23' ' ' TYR . 15.0 m -89.78 129.08 36.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.549 -1.205 . . . . 15.0 108.041 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -69.56 -70.25 0.29 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.121 0.888 . . . . 15.0 112.702 -164.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.0 p -70.19 -30.38 67.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.485 0.55 . . . . 15.0 112.485 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 p -90.18 -20.61 22.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.567 0.58 . . . . 15.0 112.567 -175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.07 48.37 76.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.562 -0.827 . . . . 15.0 111.324 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -117.0 150.12 39.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 120.7 0.285 . . . . 15.0 111.414 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.705 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -89.89 90.21 3.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.445 -0.502 . . . . 15.0 110.76 173.587 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.827 ' HD1' ' HG ' ' A' ' 16' ' ' SER . 13.7 p90 -89.89 150.18 22.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.767 ' CE1' ' HE2' ' A' ' 13' ' ' LYS . 57.4 m-85 -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.261 0.553 . . . . 15.0 110.531 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.802 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.6 t80 -100.58 143.37 30.83 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.372 -1.344 . . . . 15.0 107.372 173.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.653 ' OD1' HG12 ' A' ' 28' ' ' ILE . 1.2 t-20 -150.11 115.22 5.39 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.942 -0.703 . . . . 15.0 110.747 170.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.781 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 2.8 p80 -84.43 3.27 36.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -175.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.653 HG12 ' OD1' ' A' ' 26' ' ' ASN . 17.1 pt -70.4 -40.61 77.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.352 -0.981 . . . . 15.0 108.352 170.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' HG13 ' A' ' 28' ' ' ILE . 18.6 m -90.23 -21.15 22.27 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.655 169.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.781 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.7 t-20 72.47 14.62 5.26 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.009 -0.996 . . . . 15.0 109.611 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 150.04 21.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.909 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 t -117.71 107.99 14.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.852 -0.796 . . . . 15.0 108.852 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -124.23 100.59 6.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.458 0.647 . . . . 15.0 112.461 -169.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 16' ' ' SER . 10.0 m0 -70.08 -40.11 75.21 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 107.873 -1.158 . . . . 15.0 107.873 166.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.05 143.98 52.32 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 112.801 -2.0 . . . . 15.0 108.083 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -69.74 126.63 92.64 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -163.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 C--N 1.357 0.994 0 C-N-CA 123.162 2.575 . . . . 15.0 111.842 178.639 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.519 ' CE3' ' HB3' ' A' ' 24' ' ' TYR . 83.8 m95 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.972 0.415 . . . . 15.0 109.922 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -114.65 139.84 49.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 15.0 109.529 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 2.0 mtpm? -89.73 98.16 11.61 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 122.262 1.03 . . . . 15.0 109.707 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.03 150.46 25.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.259 -1.792 . . . . 15.0 109.277 -170.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.4 mtm -89.51 125.93 35.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.985 0.422 . . . . 15.0 110.333 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.499 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 34.7 p -89.81 131.44 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.229 -178.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -69.93 -37.41 75.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.413 -1.267 . . . . 15.0 112.881 -169.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -69.9 -63.99 0.97 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 112.239 0.459 . . . . 15.0 112.239 -171.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.565 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 8.2 t -89.98 -10.31 45.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.78 59.89 5.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.536 -0.84 . . . . 15.0 111.314 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -136.2 150.16 48.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.704 0.288 . . . . 15.0 110.549 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 m -89.42 101.23 11.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.694 0.759 . . . . 15.0 110.26 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.884 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 15.2 p90 -103.82 150.47 24.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.744 -1.116 . . . . 15.0 109.782 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 59.9 m-85 -89.09 101.05 13.71 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.356 0.598 . . . . 15.0 109.691 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.758 ' HE1' ' HD2' ' A' ' 27' ' ' HIS . 18.9 t80 -92.01 120.46 32.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.289 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.461 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.0 p30 -114.14 127.15 55.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.301 -0.56 . . . . 15.0 109.627 178.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.758 ' HD2' ' HE1' ' A' ' 25' ' ' PHE . 2.2 p80 -101.7 8.98 41.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.577 HD11 ' H ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -72.1 -50.29 37.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.585 -1.265 . . . . 15.0 107.585 170.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 m -90.0 -19.24 24.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.647 -1.16 . . . . 15.0 110.072 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.603 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.5 t-20 74.63 16.99 3.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.867 0.841 . . . . 15.0 109.63 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.22 139.04 31.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.31 -0.859 . . . . 15.0 110.839 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -104.11 111.28 23.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -117.54 110.06 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.902 0.382 . . . . 15.0 111.951 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.884 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 14.3 m95 -69.93 -37.29 75.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.099 0.952 . . . . 15.0 109.041 170.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -74.9 148.41 40.13 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 113.395 -1.73 . . . . 15.0 108.497 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -69.51 129.38 91.57 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.588 -167.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo . . . . . 0 C--N 1.356 0.952 0 C-N-CA 123.83 3.02 . . . . 15.0 112.811 -176.172 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.726 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 75.2 m95 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.428 0.632 . . . . 15.0 109.658 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 4.0 mm-40 -89.93 147.71 23.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.742 -174.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -97.75 98.87 10.22 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.539 0.685 . . . . 15.0 109.646 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -115.52 150.59 36.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.864 -1.062 . . . . 15.0 109.869 -171.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -89.51 130.49 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.532 0.682 . . . . 15.0 109.724 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.71 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 m -89.76 124.26 34.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.733 -1.121 . . . . 15.0 110.753 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -69.93 -27.94 65.18 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 125.141 1.526 . . . . 15.0 113.189 -169.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 7.9 t -85.18 -68.27 0.74 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 111.462 -172.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.467 ' HB3' ' HG2' ' A' ' 21' ' ' ARG . 20.2 t -89.85 -9.82 47.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.819 0.303 . . . . 15.0 111.819 -172.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.12 60.19 3.17 Favored Glycine 0 C--O 1.227 -0.285 0 N-CA-C 110.413 -1.075 . . . . 15.0 110.413 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.515 ' H ' ' HB2' ' A' ' 16' ' ' SER . 22.3 mmt180 -124.74 150.96 45.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.346 -0.427 . . . . 15.0 112.039 -167.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.42 92.1 3.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.083 -1.081 . . . . 15.0 108.083 172.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 9.3 p90 -95.84 143.88 26.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.238 0.542 . . . . 15.0 109.888 -175.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.498 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 59.4 m-85 -89.96 103.99 16.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.298 -0.865 . . . . 15.0 109.355 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.808 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 39.2 t80 -90.83 112.25 23.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.815 -0.439 . . . . 15.0 109.815 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.696 HD22 HG12 ' A' ' 28' ' ' ILE . 18.6 t-20 -104.28 125.94 50.96 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 122.165 -0.334 . . . . 15.0 110.443 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.808 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.0 p80 -106.37 14.82 26.86 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.102 0.779 . . . . 15.0 113.102 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.696 HG12 HD22 ' A' ' 26' ' ' ASN . 36.9 pt -83.01 -47.99 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 118.956 -1.097 . . . . 15.0 108.73 171.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.533 HG21 ' OD1' ' A' ' 26' ' ' ASN . 8.9 t -90.43 -11.25 40.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.97 170.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 60.17 60.14 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.895 0.855 . . . . 15.0 109.789 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.53 124.67 25.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.092 -0.958 . . . . 15.0 109.867 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -95.08 116.2 28.4 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.244 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.726 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 25.2 mm-40 -121.03 102.52 8.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 15.0 112.356 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.71 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.4 m0 -70.14 -42.14 72.94 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 107.762 -1.199 . . . . 15.0 107.762 169.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.29 154.0 42.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 112.706 -2.043 . . . . 15.0 108.151 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -69.82 127.66 92.38 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-O 120.665 0.269 . . . . 15.0 111.281 -165.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 15.0 111.603 -179.711 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.724 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 52.9 m95 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 121.28 0.562 . . . . 15.0 109.905 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.28 150.49 23.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.876 -173.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HE3' ' HE1' ' A' ' 24' ' ' TYR . 15.7 mmtp -89.64 106.59 18.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.564 0.697 . . . . 15.0 110.354 176.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -128.46 147.59 50.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.811 -1.086 . . . . 15.0 108.555 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.7 ttp -91.32 139.19 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.161 0.505 . . . . 15.0 111.157 -176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.403 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 40.8 p -89.69 145.18 25.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.233 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.5 ttp85 -69.82 -70.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.449 -1.25 . . . . 15.0 113.834 -157.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -79.69 -19.06 49.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 15.0 111.913 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -24.69 20.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.293 -0.412 . . . . 15.0 112.095 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.79 45.92 95.23 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.244 -174.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -123.79 150.64 44.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.55 -0.325 . . . . 15.0 111.104 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 m -89.34 111.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.782 0.801 . . . . 15.0 110.32 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.627 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -113.47 150.63 32.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 15.0 109.494 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.724 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 51.8 m-85 -89.52 103.09 15.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.967 -0.383 . . . . 15.0 109.967 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.682 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.4 t80 -89.93 115.38 27.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.213 0.53 . . . . 15.0 109.975 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.578 HD22 ' HB ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -103.76 133.78 48.18 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.682 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 8.9 p80 -117.05 4.36 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.119 -0.632 . . . . 15.0 112.317 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.726 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.66 -44.64 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.561 -0.903 . . . . 15.0 108.561 172.288 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.578 ' HB ' HD22 ' A' ' 26' ' ' ASN . 5.2 m -90.3 -20.17 23.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.494 -0.775 . . . . 15.0 110.047 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 15.1 t30 64.44 60.11 0.95 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.48 1.133 . . . . 15.0 109.255 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.59 123.35 23.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.142 -1.39 . . . . 15.0 109.157 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -89.88 98.92 12.05 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.014 0.435 . . . . 15.0 109.939 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.8 mm100 -110.37 105.4 14.38 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 112.453 0.538 . . . . 15.0 112.453 -169.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.627 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 9.7 m0 -69.72 -38.46 76.9 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 107.738 -1.208 . . . . 15.0 107.738 169.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.62 119.1 16.37 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 113.018 -1.901 . . . . 15.0 108.199 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -69.93 148.37 96.26 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.709 . . . . 15.0 112.544 -165.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--N 1.349 0.59 0 C-N-CA 123.314 2.676 . . . . 15.0 112.303 178.317 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.726 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 72.9 m95 . . . . . 0 C--O 1.232 0.149 0 N-CA-C 109.964 -0.384 . . . . 15.0 109.964 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -103.69 150.7 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.849 -0.614 . . . . 15.0 110.849 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.687 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 15.0 mmtp -89.38 104.91 17.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.813 0.816 . . . . 15.0 110.068 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -120.68 143.63 48.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.519 -1.219 . . . . 15.0 108.881 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.6 mtt -89.71 136.49 33.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.449 0.643 . . . . 15.0 111.555 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.9 p -89.93 145.52 25.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.957 -1.02 . . . . 15.0 109.847 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.95 -69.71 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.865 1.353 . . . . 15.0 113.733 -162.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -76.4 -33.82 58.85 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.591 0.589 . . . . 15.0 112.591 -167.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -90.13 -13.76 35.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.736 -0.386 . . . . 15.0 111.372 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.14 57.74 18.23 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.08 -0.581 . . . . 15.0 111.981 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.04 150.26 51.39 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.348 0.118 . . . . 15.0 110.973 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.687 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.55 100.19 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.003 0.906 . . . . 15.0 110.759 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.617 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 24.2 p90 -99.47 150.48 22.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.55 -1.205 . . . . 15.0 108.647 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.726 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 54.3 m-85 -89.5 108.29 19.57 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.289 0.566 . . . . 15.0 109.861 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.748 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 41.7 t80 -93.04 117.53 30.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.375 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.656 HD22 HG12 ' A' ' 28' ' ' ILE . 16.4 t-20 -113.98 113.92 25.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.179 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.748 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.9 p80 -94.61 2.93 55.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.252 0.834 . . . . 15.0 113.252 -175.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.656 HG12 HD22 ' A' ' 26' ' ' ASN . 46.0 pt -76.84 -40.55 31.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.033 -1.067 . . . . 15.0 108.666 171.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 m -90.34 -18.8 24.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.703 170.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 17.9 t-20 71.48 11.54 6.57 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.882 0.849 . . . . 15.0 109.901 -176.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.6 137.26 32.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.764 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -109.96 111.81 23.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.839 -0.619 . . . . 15.0 110.109 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.625 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.6 mm-40 -114.64 111.62 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.173 0.511 . . . . 15.0 112.373 -171.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.617 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 14.9 m95 -70.2 -39.96 74.87 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.775 0.798 . . . . 15.0 109.86 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -83.8 159.99 21.3 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.5 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -69.96 123.77 89.36 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 15.0 112.198 -165.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo . . . . . 0 C--N 1.35 0.627 0 C-N-CA 123.828 3.019 . . . . 15.0 113.553 -176.72 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.716 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 45.9 m95 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 121.186 0.517 . . . . 15.0 110.881 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -89.92 145.8 24.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.358 -0.837 . . . . 15.0 109.009 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.691 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.4 mtpt -94.29 99.77 11.94 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.754 0.788 . . . . 15.0 109.572 171.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.562 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 2.9 tpm_? -103.94 150.43 24.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.382 -1.281 . . . . 15.0 109.729 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -89.52 126.98 35.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.495 0.664 . . . . 15.0 110.518 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.5 p -89.81 149.33 22.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.517 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.62 -47.7 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.936 1.398 . . . . 15.0 113.715 -162.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.8 m -69.8 -65.52 0.71 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -89.98 -9.98 46.7 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.2 57.61 6.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.373 -0.918 . . . . 15.0 110.888 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 21' ' ' ARG . 18.1 mtp180 -122.38 150.29 42.63 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.971 0.36 . . . . 15.0 111.971 -170.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.691 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -89.3 94.02 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.913 0.863 . . . . 15.0 110.877 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 26.7 p90 -90.06 150.59 22.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.099 -1.409 . . . . 15.0 109.048 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.716 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 95.4 m-85 -89.19 112.43 23.45 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.445 -0.576 . . . . 15.0 109.445 -176.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.708 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 28.4 t80 -105.3 122.12 45.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.152 -174.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.533 HD22 HG12 ' A' ' 28' ' ' ILE . 4.5 t-20 -112.52 118.16 34.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.75 -0.594 . . . . 15.0 110.482 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.708 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.8 p80 -93.83 -7.89 42.03 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.511 0.93 . . . . 15.0 113.511 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.533 HG12 HD22 ' A' ' 26' ' ' ASN . 36.1 pt -71.06 -42.65 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 119.337 -0.945 . . . . 15.0 109.053 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.511 ' N ' HG13 ' A' ' 28' ' ' ILE . 30.9 p -90.23 -18.43 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.416 174.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 70.85 16.49 6.61 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.277 -0.874 . . . . 15.0 109.614 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.04 149.94 22.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.616 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -129.09 121.65 28.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.408 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.501 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 21.4 mt-30 -121.99 111.83 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.424 0.527 . . . . 15.0 112.424 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.423 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 9.9 m95 -70.44 -31.08 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.004 0.907 . . . . 15.0 109.109 170.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -91.96 154.89 18.52 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.591 -1.64 . . . . 15.0 107.934 179.062 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -69.99 141.19 89.13 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.283 0.475 . . . . 15.0 112.283 -160.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 28.0 Cg_exo . . . . . 0 C--N 1.356 0.927 0 C-N-CA 123.231 2.621 . . . . 15.0 112.887 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.847 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 54.2 m95 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.951 0.405 . . . . 15.0 111.328 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -106.85 144.07 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.952 -0.759 . . . . 15.0 108.952 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.541 ' HZ2' ' HB3' ' A' ' 13' ' ' LYS . 5.7 mtpm? -89.9 91.86 8.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.352 1.072 . . . . 15.0 110.728 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -97.05 150.4 20.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.26 -1.791 . . . . 15.0 108.802 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.0 mtt -89.46 142.79 27.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.532 0.682 . . . . 15.0 112.052 -170.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.516 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 16.3 m -89.55 132.3 35.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.689 -1.141 . . . . 15.0 109.108 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -70.23 -70.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.977 1.423 . . . . 15.0 113.564 -159.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.9 m -88.08 -14.42 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.183 0.516 . . . . 15.0 111.195 -172.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.481 ' HG ' ' HH2' ' A' ' 34' ' ' TRP . 6.0 p -90.33 -22.96 21.28 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.993 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 57.37 18.11 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.709 -0.757 . . . . 15.0 111.388 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 21' ' ' ARG . 22.1 ttt180 -136.39 150.78 48.96 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.97 -0.115 . . . . 15.0 110.92 -171.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.61 122.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 O-C-N 121.532 -0.73 . . . . 15.0 110.863 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.543 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.6 p90 -126.52 150.31 48.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.073 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.847 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 77.2 m-85 -89.98 109.32 20.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 15.0 110.44 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.653 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 27.9 t80 -100.62 119.66 38.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.026 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.677 ' OD1' HG12 ' A' ' 28' ' ' ILE . 51.0 t-20 -110.66 126.69 54.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.653 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.7 p80 -107.12 5.43 27.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.227 0.825 . . . . 15.0 113.227 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.677 HG12 ' OD1' ' A' ' 26' ' ' ASN . 24.1 pt -78.35 -40.37 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 107.804 -1.184 . . . . 15.0 107.804 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.482 ' N ' HG13 ' A' ' 28' ' ' ILE . 39.5 p -90.32 -20.64 22.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.215 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 12.6 t-20 68.51 22.61 7.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.618 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.618 ' HB3' HE21 ' A' ' 33' ' ' GLN . . . -102.6 129.77 49.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 15.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.3 m -96.56 118.37 32.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.793 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.675 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 71.9 mm-40 -124.29 113.33 18.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 15.0 111.451 -174.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.543 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 13.0 m0 -84.7 -35.06 22.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.188 0.994 . . . . 15.0 109.082 175.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -82.64 149.38 27.43 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 113.621 -1.627 . . . . 15.0 106.854 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -69.84 132.22 88.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.515 0.561 . . . . 15.0 112.515 -159.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 9.6 Cg_endo . . . . . 0 C--N 1.356 0.972 0 C-N-CA 123.735 2.957 . . . . 15.0 112.824 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.905 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 60.2 m95 . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.093 0.473 . . . . 15.0 110.569 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.99 137.59 32.21 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.678 -0.692 . . . . 15.0 109.197 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.687 ' HZ1' ' HB3' ' A' ' 13' ' ' LYS . 9.5 mtpm? -90.0 92.27 8.92 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 122.491 1.139 . . . . 15.0 110.829 -178.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.657 ' HG2' ' HH ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -95.15 150.68 19.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 112.579 -2.1 . . . . 15.0 108.442 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.488 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 1.6 mpt? -89.17 140.91 28.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.716 0.77 . . . . 15.0 110.682 -173.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.694 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 7.6 m -89.67 135.81 33.4 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.254 -1.339 . . . . 15.0 109.456 -174.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 17' ' ' ARG . 41.0 ttt-85 -69.4 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.934 1.396 . . . . 15.0 113.08 -163.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -71.51 -41.02 69.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -171.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 t -90.12 -11.62 40.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.57 0.581 . . . . 15.0 112.57 -172.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.74 60.3 7.95 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.271 -0.966 . . . . 15.0 111.607 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -124.22 150.47 45.22 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.928 -0.136 . . . . 15.0 110.994 -171.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.411 ' HB ' ' HZ3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -89.81 90.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 O-C-N 121.486 -0.759 . . . . 15.0 110.86 173.019 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.657 ' HH ' ' HG2' ' A' ' 14' ' ' ARG . 8.7 p90 -95.63 150.23 20.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 15.0 110.733 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.573 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 69.4 m-85 -89.73 107.4 19.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.007 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.494 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 63.6 t80 -99.86 120.15 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.858 0.361 . . . . 15.0 110.51 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.573 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.4 t30 -121.17 120.25 34.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.421 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.488 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.8 p80 -94.59 -2.04 52.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.573 HG12 ' OD1' ' A' ' 26' ' ' ASN . 16.5 pt -74.41 -39.32 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.202 -0.999 . . . . 15.0 108.416 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 28' ' ' ILE . 57.2 p -90.37 -19.91 23.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.662 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t30 70.17 16.33 7.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.814 0.816 . . . . 15.0 109.875 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.05 144.3 30.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.513 -0.767 . . . . 15.0 111.032 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 p -115.55 108.33 16.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.779 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.905 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 1.7 mp0 -111.21 100.34 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.694 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.0 m0 -69.77 -36.77 76.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.957 -1.497 . . . . 15.0 106.957 165.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.582 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 13.6 pt-20 -73.35 142.98 47.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 112.253 -2.249 . . . . 15.0 108.143 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -69.87 133.3 88.3 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.887 -0.508 . . . . 15.0 112.024 -168.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 52.7 Cg_exo . . . . . 0 C--N 1.355 0.901 0 C-N-CA 123.859 3.039 . . . . 15.0 113.806 -175.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 75.2 m95 . . . . . 0 C--O 1.234 0.246 0 CA-C-O 121.168 0.509 . . . . 15.0 110.467 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -98.72 147.15 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.811 -176.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.709 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 13.1 mmmm -89.95 99.3 12.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.095 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.535 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 40.1 ttm180 -113.42 150.19 33.1 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.383 -0.826 . . . . 15.0 109.194 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 ttm -89.68 137.33 32.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.291 0.567 . . . . 15.0 110.361 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.501 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 3.0 m -89.66 139.29 30.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.427 -0.806 . . . . 15.0 109.301 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -69.82 -68.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.963 -165.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.427 0.528 . . . . 15.0 112.427 -167.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 t -90.09 -19.79 23.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.883 0.327 . . . . 15.0 111.883 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.71 45.26 94.88 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.586 -0.816 . . . . 15.0 111.991 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -142.42 150.5 40.7 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.28 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 118.95 0.796 . . . . 15.0 111.558 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.535 ' OH ' ' HD2' ' A' ' 14' ' ' ARG . 12.1 p90 -129.83 150.65 51.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.522 -1.217 . . . . 15.0 108.604 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.709 ' CE2' ' HD3' ' A' ' 13' ' ' LYS . 71.9 m-85 -89.59 114.6 26.2 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.743 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 38.6 t80 -103.19 127.79 50.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.022 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.701 HD22 HG12 ' A' ' 28' ' ' ILE . 20.7 t-20 -124.77 128.0 48.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.165 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.743 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 8.9 p80 -106.75 10.22 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.999 -0.68 . . . . 15.0 112.666 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.701 HG12 HD22 ' A' ' 26' ' ' ASN . 23.9 pt -80.56 -41.51 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 119.342 -0.943 . . . . 15.0 108.843 171.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.582 HG23 ' OD1' ' A' ' 26' ' ' ASN . 13.4 t -90.51 -16.56 28.65 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.51 -0.313 . . . . 15.0 110.424 166.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.592 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 13.6 t-20 58.5 60.16 2.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.911 0.862 . . . . 15.0 109.969 -176.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.9 150.05 45.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.789 -1.096 . . . . 15.0 109.527 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -115.79 123.23 47.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.362 -0.381 . . . . 15.0 110.591 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 29.2 mt-30 -120.22 108.64 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 15.0 112.238 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.516 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 17.0 m95 -69.8 -46.16 66.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 122.208 1.004 . . . . 15.0 108.378 168.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -70.69 144.3 51.07 Favored 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 113.51 -1.677 . . . . 15.0 107.739 176.056 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -69.87 121.19 81.94 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -166.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--N 1.349 0.597 0 C-N-CA 123.415 2.743 . . . . 15.0 111.064 171.096 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.905 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 68.6 m95 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.87 0.367 . . . . 15.0 110.392 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 89.7 mt-10 -89.97 146.13 24.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.84 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.763 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 36.1 mmtt -89.67 90.49 8.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.0 -0.741 . . . . 15.0 109.0 170.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -104.03 150.31 24.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.67 -1.15 . . . . 15.0 109.091 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.2 mtp -89.59 130.57 35.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.335 0.588 . . . . 15.0 110.506 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.1 p -89.95 142.87 27.29 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.129 -0.941 . . . . 15.0 108.856 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -69.37 -69.94 0.31 Allowed 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.903 1.377 . . . . 15.0 112.608 -163.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 p -70.01 -25.9 63.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.357 0.503 . . . . 15.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 t -90.11 -25.25 20.83 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.726 -0.39 . . . . 15.0 111.636 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.48 42.24 99.72 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.028 -0.606 . . . . 15.0 111.835 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -135.25 150.27 50.03 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.899 -0.177 . . . . 15.0 111.159 -170.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.763 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.7 m -89.54 107.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.268 1.032 . . . . 15.0 112.253 -173.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -100.05 150.81 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 15.0 109.226 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.905 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 11.6 m-85 -89.03 106.94 18.76 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.291 0.567 . . . . 15.0 110.326 -176.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.758 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 26.2 t80 -96.91 119.23 34.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.411 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.663 ' OD1' HG12 ' A' ' 28' ' ' ILE . 31.8 t30 -112.92 117.19 31.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.649 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.758 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.3 p80 -96.45 4.31 52.22 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.663 HG12 ' OD1' ' A' ' 26' ' ' ASN . 36.8 pt -77.81 -42.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 118.914 -1.114 . . . . 15.0 109.034 171.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t -90.4 -18.74 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.2 -0.454 . . . . 15.0 110.378 172.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 t30 65.93 60.26 0.68 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.956 0.884 . . . . 15.0 110.087 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.97 147.67 39.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 15.0 110.252 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -112.0 107.79 16.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.342 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.665 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.9 mm100 -113.6 114.43 26.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.405 0.622 . . . . 15.0 112.18 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -75.25 -23.96 57.56 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.271 1.034 . . . . 15.0 109.155 169.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -92.04 140.67 29.42 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 113.509 -1.678 . . . . 15.0 108.292 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.549 ' H ' ' HD3' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -70.07 134.65 87.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 15.0 111.674 -168.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 C--N 1.344 0.325 0 C-N-CA 123.063 2.508 . . . . 15.0 111.512 179.188 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.811 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 70.3 m95 . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 121.283 0.563 . . . . 15.0 109.601 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.56 150.59 26.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.113 -172.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.955 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 17.4 mmtp -89.37 102.68 15.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.542 0.687 . . . . 15.0 109.303 172.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -113.81 150.6 33.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.406 -1.27 . . . . 15.0 109.215 -175.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 ttm -89.33 130.76 35.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 15.0 110.957 -170.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.543 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 8.6 m -89.84 129.62 36.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.758 -1.11 . . . . 15.0 109.404 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -69.76 -44.09 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 15.0 112.944 -167.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 p -70.05 -70.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.249 0.463 . . . . 15.0 112.249 -172.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m -86.24 -9.68 56.05 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.215 0.45 . . . . 15.0 112.215 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 60.01 4.71 Favored Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.489 -0.862 . . . . 15.0 111.168 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.479 ' H ' ' HB2' ' A' ' 16' ' ' SER . 5.5 mmp_? -120.59 150.18 41.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.673 -0.264 . . . . 15.0 111.428 -170.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.955 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.6 93.52 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.517 0.675 . . . . 15.0 110.337 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.552 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -96.0 150.55 20.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.32 -0.854 . . . . 15.0 109.698 -177.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.811 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 1.7 m-85 -89.42 107.21 18.94 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.597 0.713 . . . . 15.0 109.87 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.686 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 48.7 t80 -99.49 122.34 42.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.854 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.552 HD22 HG12 ' A' ' 28' ' ' ILE . 17.8 t-20 -114.58 123.9 50.52 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.686 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.8 p80 -105.42 15.52 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.967 0.729 . . . . 15.0 112.967 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.552 HG12 HD22 ' A' ' 26' ' ' ASN . 22.3 pt -85.44 -45.61 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.274 -1.009 . . . . 15.0 108.274 169.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.515 ' N ' HG13 ' A' ' 28' ' ' ILE . 62.1 p -90.33 -18.28 25.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.474 171.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 t30 75.73 20.12 1.88 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 124.025 0.828 . . . . 15.0 109.758 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.96 134.81 34.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.186 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -110.47 115.4 29.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.683 -0.689 . . . . 15.0 109.739 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.465 ' HG3' ' HH2' ' A' ' 11' ' ' TRP . 27.9 mm-40 -124.49 111.17 15.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.806 0.298 . . . . 15.0 111.806 -173.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.552 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 11.6 m95 -70.77 -30.9 67.52 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.957 0.884 . . . . 15.0 109.236 171.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -90.71 148.88 22.3 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.994 -1.457 . . . . 15.0 108.262 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -69.92 134.35 87.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 111.631 0.234 . . . . 15.0 111.631 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo . . . . . 0 C--N 1.355 0.879 0 C-N-CA 123.568 2.845 . . . . 15.0 111.606 -179.802 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.701 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 47.4 m95 . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.359 0.599 . . . . 15.0 109.91 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -92.29 145.98 24.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.349 -0.841 . . . . 15.0 110.338 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.826 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 1.5 mmpt? -89.96 96.08 10.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.766 0.793 . . . . 15.0 109.694 174.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -106.69 150.53 26.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.356 -1.293 . . . . 15.0 108.866 -174.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.6 mtp -89.59 135.31 33.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.991 0.901 . . . . 15.0 111.96 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.618 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 6.0 m -89.77 139.49 30.52 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 113.987 -1.46 . . . . 15.0 108.797 -178.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -69.8 -69.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 15.0 112.931 -164.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -69.97 -36.49 75.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.084 0.402 . . . . 15.0 112.084 -168.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 m -90.29 -17.45 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.72 59.57 9.98 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.578 -0.82 . . . . 15.0 111.797 -174.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -134.21 150.32 51.05 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 122.905 -0.173 . . . . 15.0 111.092 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.826 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -89.46 107.56 18.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.707 0.765 . . . . 15.0 111.744 -176.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.455 ' HD2' ' OG ' ' A' ' 16' ' ' SER . 22.9 p90 -103.78 150.76 23.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.975 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.701 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 83.1 m-85 -89.21 111.3 22.07 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.791 -0.641 . . . . 15.0 109.706 -176.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.65 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 69.8 t80 -104.17 125.69 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.306 -0.861 . . . . 15.0 110.122 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.568 HD22 HG12 ' A' ' 28' ' ' ILE . 4.1 t-20 -124.56 107.14 10.73 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.65 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.5 p80 -85.87 -3.92 59.04 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.899 0.703 . . . . 15.0 112.899 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.568 HG12 HD22 ' A' ' 26' ' ' ASN . 25.5 pt -69.15 -46.52 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.4 -0.92 . . . . 15.0 109.187 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.543 ' N ' HG13 ' A' ' 28' ' ' ILE . 16.7 p -90.16 -12.07 39.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.123 172.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 62.04 60.13 1.56 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.494 -0.775 . . . . 15.0 109.944 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.58 148.86 51.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.459 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 p -125.9 119.15 27.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.053 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -135.86 108.88 7.66 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.694 0.628 . . . . 15.0 112.694 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.618 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 1.2 m0 -69.94 -28.33 65.48 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 107.081 -1.452 . . . . 15.0 107.081 170.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.63 150.48 34.62 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 112.647 -2.069 . . . . 15.0 108.499 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 36' ' ' ARG . 44.4 ttm180 -69.76 126.61 92.62 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.915 0.388 . . . . 15.0 111.894 -166.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.422 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 16.4 Cg_endo . . . . . 0 C--N 1.35 0.615 0 C-N-CA 123.491 2.794 . . . . 15.0 112.894 -178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.68 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 78.9 m95 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.54 0.686 . . . . 15.0 110.215 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.06 144.17 26.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.06 -0.973 . . . . 15.0 109.858 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -89.93 104.77 17.31 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.441 -0.578 . . . . 15.0 109.441 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.89 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.16 149.93 43.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.187 -174.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -89.53 128.08 35.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.132 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.646 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 54.9 p -89.93 132.85 35.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.65 -0.704 . . . . 15.0 110.494 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 17' ' ' ARG . 13.9 ttp85 -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.224 -1.353 . . . . 15.0 112.871 -167.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.675 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 4.3 m -70.27 -69.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.735 0.302 . . . . 15.0 111.497 -174.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -89.32 -10.09 48.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.966 0.358 . . . . 15.0 111.966 -172.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.47 53.62 16.27 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.253 -1.139 . . . . 15.0 110.253 -172.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -126.86 150.41 49.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.06 -0.57 . . . . 15.0 110.143 -168.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 m -89.14 110.25 21.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.851 0.834 . . . . 15.0 109.77 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.775 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 6.5 p90 -113.58 150.27 33.29 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.561 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.68 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 61.2 m-85 -89.64 114.99 26.69 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.074 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.9 t80 -100.89 111.71 23.98 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.118 -0.364 . . . . 15.0 110.399 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.671 ' OD1' HG12 ' A' ' 28' ' ' ILE . 30.4 t30 -108.46 121.12 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.783 0.325 . . . . 15.0 110.703 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 3.2 p80 -97.82 -4.17 37.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.04 0.755 . . . . 15.0 113.04 -175.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.671 HG12 ' OD1' ' A' ' 26' ' ' ASN . 40.6 pt -70.71 -42.27 77.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.237 -0.985 . . . . 15.0 109.201 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 31' ' ' ALA . 9.9 t -90.3 -15.26 31.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.277 -0.42 . . . . 15.0 109.943 168.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.654 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 2.7 t30 67.61 18.37 9.92 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.626 0.77 . . . . 15.0 110.417 -178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.636 ' H ' HG22 ' A' ' 29' ' ' THR . . . -100.6 125.26 46.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.478 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 p -89.88 126.18 35.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.543 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.3 mm-40 -128.49 110.12 12.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.631 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.775 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 9.6 m0 -75.04 -22.49 58.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.638 -1.245 . . . . 15.0 107.638 172.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -90.14 158.01 17.47 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 112.615 -2.084 . . . . 15.0 108.731 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.425 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 79.1 mtt180 -69.69 130.99 89.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.363 -0.211 . . . . 15.0 111.568 -168.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.6 Cg_exo . . . . . 0 C--N 1.349 0.58 0 C-N-CA 122.841 2.36 . . . . 15.0 113.12 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.553 ' HE3' ' CB ' ' A' ' 24' ' ' TYR . 45.8 m95 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.061 0.458 . . . . 15.0 110.386 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -89.77 142.65 27.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 15.0 110.326 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.86 97.71 11.35 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.61 -0.515 . . . . 15.0 109.61 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 44.2 ttm180 -116.85 150.23 38.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.642 -175.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.8 ttt -89.7 128.44 36.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 15.0 110.164 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.486 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 24.0 p -89.83 147.55 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.424 -0.807 . . . . 15.0 109.543 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -69.84 -70.44 0.29 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.21 -1.359 . . . . 15.0 113.581 -159.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.2 m -69.81 -37.77 76.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 15.0 112.482 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.71 -13.3 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.439 0.533 . . . . 15.0 112.439 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.65 51.24 59.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.758 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.571 ' HD2' ' HZ3' ' A' ' 34' ' ' TRP . 84.6 mtt180 -125.73 150.13 47.96 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.466 0.174 . . . . 15.0 111.23 -171.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 m -89.43 101.5 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.917 0.865 . . . . 15.0 110.877 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.547 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 19.1 p90 -104.58 150.29 24.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.886 -1.052 . . . . 15.0 109.701 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.553 ' CB ' ' HE3' ' A' ' 11' ' ' TRP . 38.2 m-85 -89.89 104.9 17.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.165 -0.471 . . . . 15.0 110.103 -177.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.548 ' CE2' ' HD2' ' A' ' 27' ' ' HIS . 16.4 t80 -89.96 108.92 20.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.665 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.7 t30 -102.35 116.35 32.45 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.083 -0.385 . . . . 15.0 110.643 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.548 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 1.9 p80 -93.98 -5.5 47.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.213 0.82 . . . . 15.0 113.213 -174.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.665 HG12 ' OD1' ' A' ' 26' ' ' ASN . 29.9 pt -73.02 -38.43 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 119.038 -1.065 . . . . 15.0 108.806 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -90.27 -18.45 25.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.053 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 2.8 t-20 71.5 10.72 6.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.585 0.754 . . . . 15.0 109.935 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.05 130.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 15.0 110.753 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.6 m -95.99 105.69 17.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.134 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.431 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.6 mm100 -108.8 149.68 28.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.046 0.451 . . . . 15.0 111.175 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.571 ' HZ3' ' HD2' ' A' ' 21' ' ' ARG . 13.3 m95 -106.68 -31.98 8.21 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 122.008 0.909 . . . . 15.0 109.429 176.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -87.68 147.5 25.21 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 113.466 -1.697 . . . . 15.0 108.682 -171.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -69.84 134.22 88.05 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 116.294 -0.412 . . . . 15.0 112.094 -167.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 N--CA 1.463 -0.31 0 C-N-CA 122.967 2.445 . . . . 15.0 110.556 176.389 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.594 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 65.6 m95 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.059 0.457 . . . . 15.0 111.002 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.34 141.83 28.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.496 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.7 mtpt -89.88 100.83 13.57 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 122.338 1.066 . . . . 15.0 109.921 174.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.596 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 3.0 tpm_? -110.05 150.51 28.45 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.286 -1.779 . . . . 15.0 108.827 -173.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.37 121.57 31.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.394 0.616 . . . . 15.0 110.192 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.637 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 29.5 p -90.01 137.56 32.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.675 -176.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -70.0 -26.23 63.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.632 -1.167 . . . . 15.0 113.429 -169.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.711 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 48.1 t -70.31 -70.13 0.31 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.391 -172.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -10.26 44.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.53 55.77 8.27 Favored Glycine 0 N--CA 1.452 -0.245 0 N-CA-C 110.503 -1.039 . . . . 15.0 110.503 -172.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -132.85 150.63 52.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.407 -0.396 . . . . 15.0 110.574 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.55 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -89.37 97.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 122.219 1.009 . . . . 15.0 110.232 -178.294 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.637 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 17.9 p90 -89.95 150.78 22.01 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.487 -1.688 . . . . 15.0 108.782 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.497 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 94.9 m-85 -88.96 103.35 15.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.623 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 39.5 t80 -96.57 118.34 32.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.359 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.688 ' OD1' HG12 ' A' ' 28' ' ' ILE . 34.5 t30 -114.65 113.63 24.6 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.556 0.217 . . . . 15.0 110.889 -177.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.607 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.5 p80 -92.7 2.9 56.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.749 0.648 . . . . 15.0 112.749 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.688 HG12 ' OD1' ' A' ' 26' ' ' ASN . 31.7 pt -74.95 -43.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.883 -1.127 . . . . 15.0 108.856 172.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.595 HG21 ' H ' ' A' ' 31' ' ' ALA . 9.6 t -90.53 -13.78 33.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.447 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.8 t30 68.39 18.28 9.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.618 0.767 . . . . 15.0 110.73 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.595 ' H ' HG21 ' A' ' 29' ' ' THR . . . -98.61 148.39 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.91 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 p -116.17 118.23 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.602 . . . . 15.0 110.78 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.594 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 9.3 mm100 -117.59 110.4 17.87 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.749 0.277 . . . . 15.0 111.749 -175.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.711 ' HH2' ' HB3' ' A' ' 18' ' ' SER . 18.6 m95 -69.93 -38.47 76.23 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 122.074 0.94 . . . . 15.0 108.855 171.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.16 157.42 18.83 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 113.749 -1.568 . . . . 15.0 108.119 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -69.68 135.77 88.06 Favored Pre-proline 0 N--CA 1.466 0.331 0 N-CA-C 112.8 0.667 . . . . 15.0 112.8 -163.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo . . . . . 0 C--N 1.353 0.788 0 C-N-CA 123.298 2.666 . . . . 15.0 113.155 -178.847 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.507 ' H1 ' HD23 ' A' ' 7' ' ' LEU . 2.7 mm? . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.153 -0.314 . . . . 15.0 110.153 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.27 148.99 9.6 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.263 2.642 . . . . 15.0 112.568 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -47.52 -29.72 10.78 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 124.028 3.152 . . . . 15.0 113.603 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -66.96 -13.89 62.46 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.373 -0.441 . . . . 15.0 113.494 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.633 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 74.7 m95 -89.81 108.28 19.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.996 0.427 . . . . 15.0 110.426 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -104.56 150.02 24.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.045 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HZ1' ' HB3' ' A' ' 13' ' ' LYS . 3.7 mtpm? -97.54 113.11 24.75 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.856 0.836 . . . . 15.0 109.816 172.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -125.66 150.61 47.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.164 -1.38 . . . . 15.0 109.241 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.4 mtt -89.33 124.1 34.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.609 0.719 . . . . 15.0 110.99 -173.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.658 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 25.9 p -90.17 150.07 22.16 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.02 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -69.62 -57.49 5.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.009 -1.45 . . . . 15.0 113.643 -165.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.8 p -69.62 -53.96 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.134 0.791 . . . . 15.0 113.134 -166.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.569 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 38.5 t -89.74 -10.2 46.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.237 . . . . 15.0 111.373 -175.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 57.2 18.4 Favored Glycine 0 C--N 1.333 0.389 0 N-CA-C 110.036 -1.226 . . . . 15.0 110.036 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -121.94 150.18 42.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.096 -0.552 . . . . 15.0 110.478 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 m -89.47 95.62 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.733 0.778 . . . . 15.0 110.158 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.658 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 14.0 p90 -99.55 150.37 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.977 -1.011 . . . . 15.0 109.997 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 45.7 m-85 -89.66 115.32 26.95 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.556 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.693 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 44.2 t80 -110.91 128.07 55.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.659 ' OD1' HG12 ' A' ' 28' ' ' ILE . 26.6 t30 -122.76 124.16 42.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.592 -0.276 . . . . 15.0 110.654 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.693 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.4 p80 -97.58 -3.66 39.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.673 0.62 . . . . 15.0 112.673 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.659 HG12 ' OD1' ' A' ' 26' ' ' ASN . 23.6 pt -79.73 -41.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.534 -0.866 . . . . 15.0 109.144 174.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 m -90.29 -17.6 27.11 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.656 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 t30 67.58 18.09 9.95 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.763 0.792 . . . . 15.0 109.583 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.06 150.1 20.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.613 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 t -132.32 125.98 32.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.217 -0.447 . . . . 15.0 109.948 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 46.5 mt-30 -132.06 112.17 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.924 -175.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.706 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 13.2 m95 -69.67 -37.95 76.89 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 122.044 0.926 . . . . 15.0 108.839 169.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.802 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 1.3 pt-20 -80.12 156.25 27.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.824 -1.535 . . . . 15.0 107.776 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -69.75 125.96 92.27 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.408 . . . . 15.0 111.52 -167.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.25 -30.16 79.07 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.921 3.081 . . . . 15.0 113.457 -175.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 p -91.25 -1.41 57.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.708 -176.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.438 -1.201 . . . . 15.0 111.635 -178.336 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.028 -0.36 . . . . 15.0 110.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 9.8 pt -108.57 89.49 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 121.136 0.493 . . . . 15.0 109.68 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.478 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.706 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 12.2 Cg_exo -75.74 139.66 22.67 Favored 'Trans proline' 0 C--N 1.308 -1.569 1 C-N-CA 126.77 4.98 . . . . 15.0 115.103 -176.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.74 140.13 38.31 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 124.869 3.713 . . . . 15.0 110.457 159.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.639 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 2.0 mp -82.06 137.51 46.36 Favored Pre-proline 0 CA--C 1.509 -0.603 0 CA-C-O 121.86 0.838 . . . . 15.0 109.772 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.802 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 31.1 Cg_exo -59.37 -10.01 9.95 Favored 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 124.448 3.432 . . . . 15.0 113.432 -175.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 11.9 p90 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.195 -0.907 . . . . 15.0 110.224 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.848 ' H3 ' ' HD2' ' A' ' 8' ' ' PRO . 2.8 mm? . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 113.794 1.035 . . . . 15.0 113.794 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.848 ' HD2' ' H3 ' ' A' ' 7' ' ' LEU . 4.1 Cg_endo -46.02 -34.32 12.67 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 123.196 2.597 . . . . 15.0 116.774 -176.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 9.3 Cg_endo -53.73 -30.13 55.07 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.519 1.479 . . . . 15.0 112.913 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.83 -39.17 1.61 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.865 -0.683 . . . . 15.0 112.227 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 20.6 m95 -89.92 126.85 35.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.982 -0.377 . . . . 15.0 109.982 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.87 150.17 22.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.613 0.721 . . . . 15.0 111.385 -171.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.738 ' HZ2' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -89.89 104.25 16.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.325 -0.852 . . . . 15.0 110.466 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.558 ' HD3' ' H ' ' A' ' 15' ' ' MET . 17.1 tpp180 -124.56 150.24 46.11 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.162 -1.381 . . . . 15.0 108.292 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.558 ' H ' ' HD3' ' A' ' 14' ' ' ARG . 2.0 mpt? -89.52 130.66 35.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.432 0.634 . . . . 15.0 110.94 -171.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.783 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 82.6 p -89.89 135.36 33.68 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.001 -0.999 . . . . 15.0 109.97 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.552 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 24.3 ttt180 -74.89 -31.07 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.535 -165.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.528 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 38.5 t -78.02 -64.79 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.21 -175.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 m -87.04 -9.97 54.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.314 0.486 . . . . 15.0 112.314 -173.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.92 54.38 25.2 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.161 -1.176 . . . . 15.0 110.161 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.505 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 4.8 mmp_? -131.6 150.8 52.02 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 114.935 -0.632 . . . . 15.0 110.619 -168.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.674 ' HB ' ' CE ' ' A' ' 13' ' ' LYS . 2.9 m -88.95 94.49 4.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 122.486 1.136 . . . . 15.0 110.406 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 9.1 p90 -89.83 150.57 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 113.863 -1.517 . . . . 15.0 108.952 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -89.24 110.34 21.12 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.154 0.502 . . . . 15.0 109.648 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 38.5 t80 -108.92 130.71 55.45 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.583 -0.735 . . . . 15.0 109.608 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.577 ' CG ' HG12 ' A' ' 28' ' ' ILE . 40.8 t-20 -129.65 127.0 39.68 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.5 -0.48 . . . . 15.0 110.155 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.597 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.9 p80 -91.16 0.48 57.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.577 HG12 ' CG ' ' A' ' 26' ' ' ASN . 17.3 pt -75.87 -42.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 108.937 -0.764 . . . . 15.0 108.937 171.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.501 ' N ' HG13 ' A' ' 28' ' ' ILE . 9.4 p -90.36 -20.76 22.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.388 -0.824 . . . . 15.0 111.398 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 71.7 13.09 6.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.123 0.963 . . . . 15.0 109.212 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 141.04 29.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.277 -0.874 . . . . 15.0 111.249 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -120.17 109.49 15.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.551 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.548 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 5.8 mt-30 -123.5 106.06 10.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.392 0.515 . . . . 15.0 112.392 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.783 ' CZ2' ' HB2' ' A' ' 16' ' ' SER . 7.1 m0 -74.57 -27.22 60.4 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.113 -1.069 . . . . 15.0 108.113 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -95.1 147.71 23.14 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.731 -1.577 . . . . 15.0 106.933 178.218 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.1 mpp_? -69.7 126.24 92.43 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.873 0.694 . . . . 15.0 112.873 -162.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.704 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 67.6 Cg_exo -51.46 -65.09 0.16 Allowed 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 124.075 3.183 . . . . 15.0 112.826 -177.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -142.24 12.94 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.532 0.682 . . . . 15.0 109.192 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.018 -1.434 . . . . 15.0 111.014 -176.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . 0.429 ' HG2' HG12 ' B' ' 209' ' ' ILE . 18.9 ttp180 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.118 -0.697 . . . . 15.0 109.118 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . 0.429 HG12 ' HG2' ' B' ' 208' ' ' ARG . 4.0 pt -136.36 89.42 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 108.921 -0.77 . . . . 15.0 108.921 170.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.552 ' O3P' ' HD3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.624 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 3.5 Cg_exo -82.32 124.57 4.26 Favored 'Trans proline' 0 C--N 1.31 -1.49 1 C-N-CA 127.493 5.462 . . . . 15.0 113.804 176.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.532 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 53.1 Cg_endo -71.89 99.39 0.97 Allowed 'Trans proline' 0 C--N 1.297 -2.144 0 C-N-CA 123.282 2.654 . . . . 15.0 111.583 166.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.494 HD13 ' O ' ' B' ' 212' ' ' PRO . 1.8 mp -130.17 151.26 78.11 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 108.348 -0.982 . . . . 15.0 108.348 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.422 ' HG2' ' CE2' ' B' ' 215' ' ' PHE . 36.3 Cg_endo -66.92 -9.6 25.43 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 123.194 2.596 . . . . 15.0 114.079 -173.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . 0.422 ' CE2' ' HG2' ' B' ' 214' ' ' PRO . 71.7 m-85 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.421 -0.799 . . . . 15.0 111.155 -175.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.407 HD13 ' HD2' ' A' ' 8' ' ' PRO . 37.7 tp . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.527 0.203 . . . . 15.0 110.494 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HD2' HD13 ' A' ' 7' ' ' LEU . 52.7 Cg_exo -56.04 132.98 55.25 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.843 2.362 . . . . 15.0 112.286 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.98 -29.66 22.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.974 3.116 . . . . 15.0 113.596 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.77 -9.9 22.15 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-N 116.104 -0.498 . . . . 15.0 113.691 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.699 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 71.3 m95 -90.02 117.01 28.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.184 0.516 . . . . 15.0 110.295 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -96.24 150.12 20.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.3 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 1.3 mmpt? -93.41 103.42 15.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.437 0.637 . . . . 15.0 110.48 176.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -120.28 150.2 41.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.579 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.5 ptp -89.74 130.24 36.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.713 0.768 . . . . 15.0 110.839 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 23.2 p -89.91 131.75 35.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.876 -1.056 . . . . 15.0 109.851 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 17' ' ' ARG . 48.4 ttt-85 -69.97 -25.49 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.25 -0.886 . . . . 15.0 113.048 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.574 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 15.3 m -69.81 -70.17 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.732 0.301 . . . . 15.0 111.392 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 m -90.03 -9.89 46.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.679 0.251 . . . . 15.0 111.679 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.18 50.72 21.06 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.85 -0.9 . . . . 15.0 110.85 -174.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 5.0 mmp_? -122.87 150.48 42.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.47 -0.365 . . . . 15.0 110.805 -172.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.2 91.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.809 0.814 . . . . 15.0 110.873 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 17.1 p90 -90.03 150.8 21.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.185 -1.37 . . . . 15.0 109.369 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.66 111.59 22.59 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.196 0.522 . . . . 15.0 109.672 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.75 ' HD1' ' HG ' ' A' ' 32' ' ' SER . 16.1 t80 -97.59 119.41 36.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.019 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.799 HD22 HG12 ' A' ' 28' ' ' ILE . 21.7 t-20 -108.15 135.15 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 122.219 -0.301 . . . . 15.0 110.462 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.618 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.8 p80 -111.84 5.11 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.799 HG12 HD22 ' A' ' 26' ' ' ASN . 36.2 pt -81.93 -41.34 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 119.573 -0.851 . . . . 15.0 108.757 172.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 m -90.13 -22.81 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.675 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.6 t30 73.81 25.96 1.89 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.095 -0.957 . . . . 15.0 109.849 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 136.74 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.261 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.75 ' HG ' ' HD1' ' A' ' 25' ' ' PHE . 60.0 m -106.09 114.73 29.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.848 -0.615 . . . . 15.0 110.243 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 17.3 mm-40 -122.24 124.06 42.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.904 0.705 . . . . 15.0 112.904 -171.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.781 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 21.4 m95 -80.13 -56.47 4.2 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.862 0.839 . . . . 15.0 109.459 170.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.521 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 0.0 OUTLIER -71.82 159.21 34.71 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.895 -1.502 . . . . 15.0 108.479 -177.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -69.56 117.03 49.04 Favored Pre-proline 0 N--CA 1.466 0.363 0 N-CA-C 112.408 0.522 . . . . 15.0 112.408 -163.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.54 -53.58 6.83 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.888 3.059 . . . . 15.0 113.296 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -150.52 -95.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.521 -0.548 . . . . 15.0 109.521 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.982 0 CA-C-O 118.972 -0.905 . . . . 15.0 110.982 177.083 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 109.256 -0.646 . . . . 15.0 109.256 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 22.6 mt -107.13 89.89 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 108.213 -1.032 . . . . 15.0 108.213 168.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.451 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.781 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 11.8 Cg_exo -76.08 144.04 26.41 Favored 'Trans proline' 0 C--N 1.31 -1.496 1 C-N-CA 126.91 5.073 . . . . 15.0 114.918 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.555 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 55.6 Cg_endo -71.65 131.96 19.51 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 124.856 3.704 . . . . 15.0 110.651 157.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.668 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 2.4 mp -71.07 150.52 94.81 Favored Pre-proline 0 CA--C 1.511 -0.551 0 CA-C-O 121.923 0.868 . . . . 15.0 110.295 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.521 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 39.2 Cg_exo -56.23 -9.99 4.08 Favored 'Trans proline' 0 C--N 1.323 -0.801 0 C-N-CA 124.749 3.633 . . . . 15.0 113.373 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.694 -0.669 . . . . 15.0 109.954 177.834 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.685 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 2.0 pt? . . . . . 0 CA--C 1.555 1.138 0 N-CA-C 114.921 1.452 . . . . 15.0 114.921 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.685 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 4.4 Cg_endo -47.74 -39.09 30.62 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.142 1.894 . . . . 15.0 115.993 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 11.3 Cg_endo -55.31 -29.9 69.76 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 121.952 1.768 . . . . 15.0 113.333 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.78 -10.16 53.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.426 -0.893 . . . . 15.0 112.863 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.66 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 38.5 m95 -113.61 124.08 51.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.344 0.592 . . . . 15.0 110.554 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -89.69 142.24 27.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.715 -173.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.713 ' HZ2' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -89.94 94.93 10.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.857 0.837 . . . . 15.0 110.01 170.659 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -116.45 150.48 37.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.095 -1.411 . . . . 15.0 109.097 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -89.38 136.73 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.476 0.655 . . . . 15.0 110.454 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.598 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 16.1 m -89.87 134.86 33.97 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.659 -1.155 . . . . 15.0 109.028 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HD3' HH11 ' A' ' 17' ' ' ARG . 42.3 ttt-85 -69.5 -70.08 0.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.82 1.325 . . . . 15.0 113.269 -160.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 m -71.55 -42.02 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -171.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 t -90.27 -15.02 32.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.448 0.536 . . . . 15.0 112.448 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.08 6.33 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.353 -0.927 . . . . 15.0 112.152 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' HD2' ' CE3' ' A' ' 34' ' ' TRP . 90.2 mtt180 -124.91 150.33 46.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 122.75 -0.264 . . . . 15.0 111.211 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.671 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 2.5 m -89.47 89.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.281 -0.887 . . . . 15.0 110.469 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.623 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 8.6 p90 -93.49 148.91 21.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 15.0 109.776 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -91.55 108.56 19.98 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.865 0.364 . . . . 15.0 110.461 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.669 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 8.5 t80 -93.68 119.22 32.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.727 0.299 . . . . 15.0 110.202 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.863 HD22 HG12 ' A' ' 28' ' ' ILE . 18.8 t-20 -105.37 132.67 51.27 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 122.005 -0.434 . . . . 15.0 110.399 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.669 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.4 p80 -108.76 -2.35 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.863 HG12 HD22 ' A' ' 26' ' ' ASN . 49.4 pt -75.56 -44.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 119.347 -0.941 . . . . 15.0 109.081 174.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.426 ' N ' HG13 ' A' ' 28' ' ' ILE . 8.4 m -90.32 -14.17 33.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.403 170.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 3.7 t-20 68.99 22.82 6.84 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.752 0.787 . . . . 15.0 109.985 -177.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.18 125.14 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.111 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.9 m -95.52 109.62 21.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.07 -0.513 . . . . 15.0 110.293 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.66 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 45.2 mt-30 -113.35 141.0 47.57 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 120.954 0.407 . . . . 15.0 111.468 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.782 ' H ' HD21 ' B' ' 213' ' ' LEU . 13.6 m0 -104.85 -27.85 11.49 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 122.501 1.144 . . . . 15.0 108.162 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -83.21 153.66 24.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 112.636 -2.075 . . . . 15.0 108.062 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HD2' ' O ' ' A' ' 39' ' ' GLY . 29.3 ttm180 -69.66 122.67 86.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 15.0 111.228 -168.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.642 ' HB2' HD11 ' A' ' 7' ' ' LEU . 13.7 Cg_endo -58.61 -29.79 90.17 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.863 3.042 . . . . 15.0 114.305 -170.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 m -106.12 -0.45 24.7 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.114 -0.234 . . . . 15.0 111.312 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.599 ' O ' ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.529 -1.15 . . . . 15.0 111.581 -176.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.705 0.288 . . . . 15.0 110.761 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . 0.462 HD13 ' H ' ' B' ' 209' ' ' ILE . 1.0 OUTLIER -102.24 90.02 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.215 -0.661 . . . . 15.0 109.215 176.512 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.452 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.509 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 7.7 Cg_exo -81.21 123.81 4.62 Favored 'Trans proline' 0 C--N 1.313 -1.305 1 C-N-CA 127.598 5.532 . . . . 15.0 114.349 177.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 60.1 Cg_endo -74.67 99.49 1.23 Allowed 'Trans proline' 0 C--N 1.301 -1.956 0 C-N-CA 124.236 3.291 . . . . 15.0 111.812 164.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.782 HD21 ' H ' ' A' ' 34' ' ' TRP . 1.9 mp -124.56 139.0 32.14 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-O 120.811 0.339 . . . . 15.0 110.632 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.1 -9.81 16.56 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 123.18 2.587 . . . . 15.0 113.655 -173.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.788 -0.625 . . . . 15.0 110.8 -177.332 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.617 HD22 ' H1 ' ' A' ' 7' ' ' LEU . 2.4 pt? . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 113.44 0.904 . . . . 15.0 113.44 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.584 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 14.2 Cg_endo -57.46 -35.5 98.85 Favored 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 121.521 1.48 . . . . 15.0 115.489 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 19.2 Cg_endo -57.91 -29.73 87.33 Favored 'Trans proline' 0 C--N 1.364 1.376 0 C-N-CA 122.049 1.832 . . . . 15.0 112.916 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.88 -45.97 10.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.692 -0.766 . . . . 15.0 112.912 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.583 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 15.9 m95 -89.81 142.22 27.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.76 0.314 . . . . 15.0 111.16 -173.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.802 ' HG2' ' O ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.84 146.45 24.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.298 0.571 . . . . 15.0 111.487 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.767 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 42.6 mmtt -89.79 105.74 18.0 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.686 0.755 . . . . 15.0 109.046 172.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -117.71 150.0 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.576 -1.193 . . . . 15.0 108.94 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.51 134.15 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.541 0.686 . . . . 15.0 112.139 -168.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.827 ' HG ' ' HD1' ' A' ' 23' ' ' TYR . 15.0 m -89.78 129.08 36.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.549 -1.205 . . . . 15.0 108.041 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' HB3' ' O3P' ' B' ' 210' ' ' SEP . 20.0 ttt180 -69.56 -70.25 0.29 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.121 0.888 . . . . 15.0 112.702 -164.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.0 p -70.19 -30.38 67.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.485 0.55 . . . . 15.0 112.485 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 p -90.18 -20.61 22.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.567 0.58 . . . . 15.0 112.567 -175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.07 48.37 76.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.562 -0.827 . . . . 15.0 111.324 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -117.0 150.12 39.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 120.7 0.285 . . . . 15.0 111.414 -173.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.705 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -89.89 90.21 3.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.445 -0.502 . . . . 15.0 110.76 173.587 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.827 ' HD1' ' HG ' ' A' ' 16' ' ' SER . 13.7 p90 -89.89 150.18 22.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.767 ' CE1' ' HE2' ' A' ' 13' ' ' LYS . 57.4 m-85 -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.261 0.553 . . . . 15.0 110.531 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.802 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.6 t80 -100.58 143.37 30.83 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.372 -1.344 . . . . 15.0 107.372 173.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.653 ' OD1' HG12 ' A' ' 28' ' ' ILE . 1.2 t-20 -150.11 115.22 5.39 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.942 -0.703 . . . . 15.0 110.747 170.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.781 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 2.8 p80 -84.43 3.27 36.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -175.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.653 HG12 ' OD1' ' A' ' 26' ' ' ASN . 17.1 pt -70.4 -40.61 77.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.352 -0.981 . . . . 15.0 108.352 170.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' HG13 ' A' ' 28' ' ' ILE . 18.6 m -90.23 -21.15 22.27 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.655 169.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.781 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.7 t-20 72.47 14.62 5.26 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.009 -0.996 . . . . 15.0 109.611 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 150.04 21.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.909 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 t -117.71 107.99 14.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.852 -0.796 . . . . 15.0 108.852 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -124.23 100.59 6.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.458 0.647 . . . . 15.0 112.461 -169.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.554 ' CH2' ' HB3' ' A' ' 16' ' ' SER . 10.0 m0 -70.08 -40.11 75.21 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 107.873 -1.158 . . . . 15.0 107.873 166.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' H ' HD23 ' B' ' 213' ' ' LEU . 13.0 pt-20 -70.05 143.98 52.32 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 112.801 -2.0 . . . . 15.0 108.083 176.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -69.74 126.63 92.64 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -163.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -59.76 -44.27 32.3 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 123.162 2.575 . . . . 15.0 111.842 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t 176.62 -81.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.031 -0.986 . . . . 15.0 108.407 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 110.668 -0.973 . . . . 15.0 110.668 176.431 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 110.015 -0.365 . . . . 15.0 110.015 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 8.4 mt -118.3 90.24 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.065 -0.254 . . . . 15.0 110.687 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.474 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.553 ' HA ' ' HD2' ' B' ' 212' ' ' PRO . 15.7 Cg_exo -76.31 119.58 5.33 Favored 'Trans proline' 0 C--N 1.31 -1.476 1 C-N-CA 126.905 5.07 . . . . 15.0 113.81 178.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.553 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 54.3 Cg_endo -71.71 99.57 0.97 Allowed 'Trans proline' 0 C--N 1.303 -1.858 0 C-N-CA 123.709 2.939 . . . . 15.0 111.26 168.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.542 HD11 ' O ' ' B' ' 212' ' ' PRO . 4.1 mp -128.79 134.34 26.19 Favored Pre-proline 0 N--CA 1.469 0.488 0 N-CA-C 109.782 -0.451 . . . . 15.0 109.782 -177.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -80.75 -9.63 13.22 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.183 2.589 . . . . 15.0 113.293 -173.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.497 -0.764 . . . . 15.0 110.655 -176.578 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD2' ' CD1' ' A' ' 11' ' ' TRP . 52.0 Cg_exo -55.82 143.71 80.04 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.875 2.384 . . . . 15.0 111.86 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.72 -29.41 14.52 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.539 2.826 . . . . 15.0 112.709 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.619 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -62.52 -11.49 35.26 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.601 -0.727 . . . . 15.0 114.018 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.519 ' CE3' ' HB3' ' A' ' 24' ' ' TYR . 83.8 m95 -89.83 110.98 21.87 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 117.568 0.684 . . . . 15.0 109.922 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -114.65 139.84 49.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 15.0 109.529 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 2.0 mtpm? -89.73 98.16 11.61 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 122.262 1.03 . . . . 15.0 109.707 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.03 150.46 25.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.259 -1.792 . . . . 15.0 109.277 -170.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.4 mtm -89.51 125.93 35.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.985 0.422 . . . . 15.0 110.333 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.499 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 34.7 p -89.81 131.44 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.229 -178.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HB3' ' P ' ' B' ' 210' ' ' SEP . 31.2 ttt-85 -69.93 -37.41 75.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.413 -1.267 . . . . 15.0 112.881 -169.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -69.9 -63.99 0.97 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 112.239 0.459 . . . . 15.0 112.239 -171.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.565 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 8.2 t -89.98 -10.31 45.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.78 59.89 5.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.536 -0.84 . . . . 15.0 111.314 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -136.2 150.16 48.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.704 0.288 . . . . 15.0 110.549 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 m -89.42 101.23 11.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.694 0.759 . . . . 15.0 110.26 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.884 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 15.2 p90 -103.82 150.47 24.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.744 -1.116 . . . . 15.0 109.782 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 59.9 m-85 -89.09 101.05 13.71 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.356 0.598 . . . . 15.0 109.691 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.758 ' HE1' ' HD2' ' A' ' 27' ' ' HIS . 18.9 t80 -92.01 120.46 32.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.289 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.619 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 2.0 p30 -114.14 127.15 55.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.301 -0.56 . . . . 15.0 109.627 178.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.758 ' HD2' ' HE1' ' A' ' 25' ' ' PHE . 2.2 p80 -101.7 8.98 41.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.577 ' H ' HD11 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -72.1 -50.29 37.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.585 -1.265 . . . . 15.0 107.585 170.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 m -90.0 -19.24 24.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.647 -1.16 . . . . 15.0 110.072 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.603 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.5 t-20 74.63 16.99 3.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.867 0.841 . . . . 15.0 109.63 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.22 139.04 31.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.31 -0.859 . . . . 15.0 110.839 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -104.11 111.28 23.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -117.54 110.06 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.902 0.382 . . . . 15.0 111.951 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.884 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 14.3 m95 -69.93 -37.29 75.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.099 0.952 . . . . 15.0 109.041 170.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.609 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 4.6 pt-20 -74.9 148.41 40.13 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 113.395 -1.73 . . . . 15.0 108.497 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -69.51 129.38 91.57 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.588 -167.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.58 -44.53 39.67 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 123.83 3.02 . . . . 15.0 112.811 -176.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -155.21 132.23 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.324 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.249 -1.306 . . . . 15.0 111.331 177.304 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.837 0.351 . . . . 15.0 110.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 4.5 pt -140.27 89.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.015 -0.538 . . . . 15.0 110.48 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.45 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.716 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 11.5 Cg_exo -77.25 145.57 24.33 Favored 'Trans proline' 0 C--N 1.31 -1.46 1 C-N-CA 126.893 5.062 . . . . 15.0 115.188 -177.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.557 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 48.6 Cg_endo -71.39 145.28 47.61 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 124.819 3.679 . . . . 15.0 110.442 156.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.669 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 2.6 mp -79.93 135.53 55.26 Favored Pre-proline 0 N--CA 1.467 0.408 0 CA-C-O 121.599 0.714 . . . . 15.0 110.073 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.609 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 34.2 Cg_exo -56.45 -10.17 4.61 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 125.066 3.844 . . . . 15.0 114.969 -172.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 2.7 p90 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.214 -0.898 . . . . 15.0 110.597 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.644 HD13 ' HD2' ' A' ' 8' ' ' PRO . 48.8 tp . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.644 ' HD2' HD13 ' A' ' 7' ' ' LEU . 53.6 Cg_exo -53.45 133.99 55.64 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.114 2.543 . . . . 15.0 113.112 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.12 -29.6 83.89 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.291 2.661 . . . . 15.0 111.944 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -57.57 -10.18 5.75 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-N 115.43 -0.804 . . . . 15.0 114.261 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.726 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 75.2 m95 -89.76 104.67 17.21 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 117.501 0.651 . . . . 15.0 109.658 176.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 4.0 mm-40 -89.93 147.71 23.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.742 -174.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -97.75 98.87 10.22 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.539 0.685 . . . . 15.0 109.646 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -115.52 150.59 36.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.864 -1.062 . . . . 15.0 109.869 -171.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -89.51 130.49 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.532 0.682 . . . . 15.0 109.724 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.71 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 m -89.76 124.26 34.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.733 -1.121 . . . . 15.0 110.753 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.478 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 43.2 ttt-85 -69.93 -27.94 65.18 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 125.141 1.526 . . . . 15.0 113.189 -169.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 7.9 t -85.18 -68.27 0.74 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 111.462 -172.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.467 ' HB3' ' HG2' ' A' ' 21' ' ' ARG . 20.2 t -89.85 -9.82 47.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.819 0.303 . . . . 15.0 111.819 -172.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.12 60.19 3.17 Favored Glycine 0 C--O 1.227 -0.285 0 N-CA-C 110.413 -1.075 . . . . 15.0 110.413 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.515 ' H ' ' HB2' ' A' ' 16' ' ' SER . 22.3 mmt180 -124.74 150.96 45.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.346 -0.427 . . . . 15.0 112.039 -167.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.42 92.1 3.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.083 -1.081 . . . . 15.0 108.083 172.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 9.3 p90 -95.84 143.88 26.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.238 0.542 . . . . 15.0 109.888 -175.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 59.4 m-85 -89.96 103.99 16.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.298 -0.865 . . . . 15.0 109.355 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.808 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 39.2 t80 -90.83 112.25 23.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.815 -0.439 . . . . 15.0 109.815 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.696 HD22 HG12 ' A' ' 28' ' ' ILE . 18.6 t-20 -104.28 125.94 50.96 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 122.165 -0.334 . . . . 15.0 110.443 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.808 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.0 p80 -106.37 14.82 26.86 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.102 0.779 . . . . 15.0 113.102 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.696 HG12 HD22 ' A' ' 26' ' ' ASN . 36.9 pt -83.01 -47.99 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 118.956 -1.097 . . . . 15.0 108.73 171.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.533 HG21 ' OD1' ' A' ' 26' ' ' ASN . 8.9 t -90.43 -11.25 40.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.97 170.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 60.17 60.14 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.895 0.855 . . . . 15.0 109.789 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.53 124.67 25.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.092 -0.958 . . . . 15.0 109.867 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -95.08 116.2 28.4 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.244 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.726 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 25.2 mm-40 -121.03 102.52 8.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 15.0 112.356 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.71 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.4 m0 -70.14 -42.14 72.94 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 107.762 -1.199 . . . . 15.0 107.762 169.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.629 ' H ' HD21 ' B' ' 213' ' ' LEU . 13.4 pt-20 -70.29 154.0 42.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 112.706 -2.043 . . . . 15.0 108.151 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -69.82 127.66 92.38 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-O 120.665 0.269 . . . . 15.0 111.281 -165.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.85 -33.92 83.4 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 15.0 111.603 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 t -135.17 109.01 8.07 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.459 -0.941 . . . . 15.0 108.459 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.984 -0.898 . . . . 15.0 112.978 -175.361 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.132 -0.322 . . . . 15.0 110.132 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.69 89.59 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.374 0.607 . . . . 15.0 110.744 175.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.478 ' O3P' ' HD3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.609 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 8.0 Cg_exo -77.65 123.4 6.39 Favored 'Trans proline' 0 C--N 1.303 -1.822 1 C-N-CA 126.653 4.902 . . . . 15.0 113.739 179.178 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.527 ' O ' HD12 ' B' ' 213' ' ' LEU . 50.6 Cg_endo -71.0 99.55 0.89 Allowed 'Trans proline' 0 C--N 1.3 -1.991 0 C-N-CA 123.598 2.865 . . . . 15.0 111.229 166.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.629 HD21 ' H ' ' A' ' 35' ' ' GLU . 3.3 mp -125.79 145.31 51.27 Favored Pre-proline 0 N--CA 1.47 0.543 0 N-CA-C 108.693 -0.855 . . . . 15.0 108.693 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.79 -9.85 15.28 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.748 2.966 . . . . 15.0 115.584 -167.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 119.003 -0.523 . . . . 15.0 111.801 -175.769 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.659 ' H3 ' ' HD2' ' A' ' 8' ' ' PRO . 10.1 tt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 119.345 -0.36 . . . . 15.0 111.744 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.659 ' HD2' ' H3 ' ' A' ' 7' ' ' LEU . 3.7 Cg_endo -43.33 -47.57 8.88 Favored 'Trans proline' 0 CA--C 1.547 1.129 0 C-N-CA 123.61 2.873 . . . . 15.0 115.832 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 18.5 Cg_endo -57.91 -29.84 87.72 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.251 1.968 . . . . 15.0 113.415 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.808 ' HA3' HD13 ' A' ' 28' ' ' ILE . . . -98.34 -35.92 4.81 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.749 -0.738 . . . . 15.0 112.729 -176.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.724 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 52.9 m95 -91.64 106.58 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.28 0.562 . . . . 15.0 109.905 178.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.28 150.49 23.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.876 -173.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HE3' ' HE1' ' A' ' 24' ' ' TYR . 15.7 mmtp -89.64 106.59 18.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.564 0.697 . . . . 15.0 110.354 176.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -128.46 147.59 50.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.811 -1.086 . . . . 15.0 108.555 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.7 ttp -91.32 139.19 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.161 0.505 . . . . 15.0 111.157 -176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.403 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 40.8 p -89.69 145.18 25.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.233 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.579 ' HB3' ' O2P' ' B' ' 210' ' ' SEP . 33.5 ttp85 -69.82 -70.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.449 -1.25 . . . . 15.0 113.834 -157.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -79.69 -19.06 49.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 15.0 111.913 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -24.69 20.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.293 -0.412 . . . . 15.0 112.095 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.79 45.92 95.23 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.244 -174.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -123.79 150.64 44.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.55 -0.325 . . . . 15.0 111.104 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 m -89.34 111.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.782 0.801 . . . . 15.0 110.32 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.627 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -113.47 150.63 32.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 15.0 109.494 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.724 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 51.8 m-85 -89.52 103.09 15.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.967 -0.383 . . . . 15.0 109.967 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.682 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.4 t80 -89.93 115.38 27.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.213 0.53 . . . . 15.0 109.975 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.578 HD22 ' HB ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -103.76 133.78 48.18 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.682 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 8.9 p80 -117.05 4.36 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.119 -0.632 . . . . 15.0 112.317 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.808 HD13 ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -72.66 -44.64 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.561 -0.903 . . . . 15.0 108.561 172.288 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.578 ' HB ' HD22 ' A' ' 26' ' ' ASN . 5.2 m -90.3 -20.17 23.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.494 -0.775 . . . . 15.0 110.047 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 15.1 t30 64.44 60.11 0.95 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.48 1.133 . . . . 15.0 109.255 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.59 123.35 23.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.142 -1.39 . . . . 15.0 109.157 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -89.88 98.92 12.05 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.014 0.435 . . . . 15.0 109.939 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.8 mm100 -110.37 105.4 14.38 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 112.453 0.538 . . . . 15.0 112.453 -169.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.788 ' HE1' ' HD2' ' B' ' 211' ' ' PRO . 9.7 m0 -69.72 -38.46 76.9 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 107.738 -1.208 . . . . 15.0 107.738 169.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.653 ' H ' HD22 ' B' ' 213' ' ' LEU . 10.2 pt-20 -72.62 119.1 16.37 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 113.018 -1.901 . . . . 15.0 108.199 176.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.608 ' HD2' ' HA2' ' A' ' 39' ' ' GLY . 34.4 ptt180 -69.93 148.37 96.26 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.709 . . . . 15.0 112.544 -165.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.35 -29.85 45.49 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.314 2.676 . . . . 15.0 112.303 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.9 t -162.45 -53.14 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.56 . . . . 15.0 109.937 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.608 ' HA2' ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.875 -0.958 . . . . 15.0 111.357 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.494 0.188 . . . . 15.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 28.9 mt -80.0 125.19 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.197 -173.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.579 ' O2P' ' HB3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.788 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 16.7 Cg_exo -75.42 123.64 7.79 Favored 'Trans proline' 0 C--N 1.309 -1.533 1 C-N-CA 126.813 5.009 . . . . 15.0 113.779 176.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.497 ' O ' HD13 ' B' ' 213' ' ' LEU . 49.5 Cg_endo -70.25 99.35 0.79 Allowed 'Trans proline' 0 C--N 1.3 -2.001 0 C-N-CA 123.472 2.781 . . . . 15.0 112.104 169.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.653 HD22 ' H ' ' A' ' 35' ' ' GLU . 2.3 mp -131.19 156.24 80.41 Favored Pre-proline 0 N--CA 1.479 0.981 0 N-CA-C 108.486 -0.931 . . . . 15.0 108.486 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.75 -9.72 26.81 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.06 2.507 . . . . 15.0 114.002 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.792 -0.623 . . . . 15.0 110.887 -176.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.245 -0.65 . . . . 15.0 109.245 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.15 126.97 21.61 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.676 2.251 . . . . 15.0 112.605 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.17 -29.58 29.39 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.843 3.029 . . . . 15.0 113.248 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.97 -13.05 17.58 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 116.242 -0.436 . . . . 15.0 113.764 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.726 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 72.9 m95 -89.71 111.75 22.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.29 0.545 . . . . 15.0 109.964 176.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -103.69 150.7 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.849 -0.614 . . . . 15.0 110.849 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.687 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 15.0 mmtp -89.38 104.91 17.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.813 0.816 . . . . 15.0 110.068 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -120.68 143.63 48.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.519 -1.219 . . . . 15.0 108.881 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.6 mtt -89.71 136.49 33.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.449 0.643 . . . . 15.0 111.555 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.9 p -89.93 145.52 25.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.957 -1.02 . . . . 15.0 109.847 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.95 -69.71 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.865 1.353 . . . . 15.0 113.733 -162.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -76.4 -33.82 58.85 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.591 0.589 . . . . 15.0 112.591 -167.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -90.13 -13.76 35.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.736 -0.386 . . . . 15.0 111.372 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.14 57.74 18.23 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.08 -0.581 . . . . 15.0 111.981 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.04 150.26 51.39 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.348 0.118 . . . . 15.0 110.973 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.687 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.55 100.19 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.003 0.906 . . . . 15.0 110.759 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.617 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 24.2 p90 -99.47 150.48 22.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.55 -1.205 . . . . 15.0 108.647 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.726 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 54.3 m-85 -89.5 108.29 19.57 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.289 0.566 . . . . 15.0 109.861 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.748 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 41.7 t80 -93.04 117.53 30.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.375 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.656 HD22 HG12 ' A' ' 28' ' ' ILE . 16.4 t-20 -113.98 113.92 25.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.179 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.748 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.9 p80 -94.61 2.93 55.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.252 0.834 . . . . 15.0 113.252 -175.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.656 HG12 HD22 ' A' ' 26' ' ' ASN . 46.0 pt -76.84 -40.55 31.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.033 -1.067 . . . . 15.0 108.666 171.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 m -90.34 -18.8 24.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.703 170.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 17.9 t-20 71.48 11.54 6.57 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.882 0.849 . . . . 15.0 109.901 -176.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.6 137.26 32.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.764 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -109.96 111.81 23.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.839 -0.619 . . . . 15.0 110.109 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.625 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.6 mm-40 -114.64 111.62 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.173 0.511 . . . . 15.0 112.373 -171.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.671 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 14.9 m95 -70.2 -39.96 74.87 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.775 0.798 . . . . 15.0 109.86 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HB3' ' HE1' ' B' ' 215' ' ' PHE . 5.5 pt-20 -83.8 159.99 21.3 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.5 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.566 ' HD3' ' OXT' ' A' ' 39' ' ' GLY . 37.1 ttt-85 -69.96 123.77 89.36 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 15.0 112.198 -165.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -61.5 -30.0 85.76 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.828 3.019 . . . . 15.0 113.553 -176.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 p -96.21 0.73 51.49 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.149 0.425 . . . . 15.0 112.149 -173.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.566 ' OXT' ' HD3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.248 1.019 0 C-N-CA 120.302 -0.952 . . . . 15.0 111.963 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.1 -0.333 . . . . 15.0 110.1 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 30.0 mt -79.93 131.95 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.105 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.671 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 20.7 Cg_exo -69.98 135.95 31.18 Favored 'Trans proline' 0 C--N 1.307 -1.614 1 C-N-CA 126.487 4.791 . . . . 15.0 114.952 -175.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.532 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 47.2 Cg_endo -70.32 125.09 11.47 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 124.458 3.438 . . . . 15.0 110.861 161.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.769 HD13 ' H ' ' B' ' 213' ' ' LEU . 1.2 mp -68.89 141.64 92.54 Favored Pre-proline 0 CA--C 1.503 -0.862 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 177.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.527 ' HD3' ' HA ' ' B' ' 213' ' ' LEU . 44.9 Cg_exo -55.08 -9.81 2.39 Favored 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 124.842 3.694 . . . . 15.0 113.654 -175.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . 0.455 ' HE1' ' HB3' ' A' ' 35' ' ' GLU . 11.9 p90 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 119.043 -0.503 . . . . 15.0 110.133 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.787 ' H1 ' ' HD2' ' A' ' 8' ' ' PRO . 2.1 pt? . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 114.497 1.295 . . . . 15.0 114.497 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.787 ' HD2' ' H1 ' ' A' ' 7' ' ' LEU . 4.1 Cg_endo -46.85 -35.54 18.16 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.452 2.102 . . . . 15.0 116.078 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 7.4 Cg_endo -52.37 -29.81 40.57 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 121.987 1.791 . . . . 15.0 113.191 173.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.04 -24.91 5.55 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.605 -0.807 . . . . 15.0 112.494 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.716 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 45.9 m95 -102.92 108.68 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.186 0.517 . . . . 15.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -89.92 145.8 24.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.358 -0.837 . . . . 15.0 109.009 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.691 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.4 mtpt -94.29 99.77 11.94 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.754 0.788 . . . . 15.0 109.572 171.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.562 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 2.9 tpm_? -103.94 150.43 24.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.382 -1.281 . . . . 15.0 109.729 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -89.52 126.98 35.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.495 0.664 . . . . 15.0 110.518 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.5 p -89.81 149.33 22.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.517 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.62 -47.7 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.936 1.398 . . . . 15.0 113.715 -162.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.8 m -69.8 -65.52 0.71 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -89.98 -9.98 46.7 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.2 57.61 6.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.373 -0.918 . . . . 15.0 110.888 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 21' ' ' ARG . 18.1 mtp180 -122.38 150.29 42.63 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.971 0.36 . . . . 15.0 111.971 -170.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.691 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -89.3 94.02 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.913 0.863 . . . . 15.0 110.877 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 26.7 p90 -90.06 150.59 22.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.099 -1.409 . . . . 15.0 109.048 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.716 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 95.4 m-85 -89.19 112.43 23.45 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.445 -0.576 . . . . 15.0 109.445 -176.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.708 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 28.4 t80 -105.3 122.12 45.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.152 -174.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.533 HD22 HG12 ' A' ' 28' ' ' ILE . 4.5 t-20 -112.52 118.16 34.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.75 -0.594 . . . . 15.0 110.482 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.708 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.8 p80 -93.83 -7.89 42.03 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.511 0.93 . . . . 15.0 113.511 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.533 HG12 HD22 ' A' ' 26' ' ' ASN . 36.1 pt -71.06 -42.65 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 119.337 -0.945 . . . . 15.0 109.053 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.511 ' N ' HG13 ' A' ' 28' ' ' ILE . 30.9 p -90.23 -18.43 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.416 174.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 70.85 16.49 6.61 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.277 -0.874 . . . . 15.0 109.614 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.04 149.94 22.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.616 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -129.09 121.65 28.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.408 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.501 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 21.4 mt-30 -121.99 111.83 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.424 0.527 . . . . 15.0 112.424 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.741 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 9.9 m95 -70.44 -31.08 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.004 0.907 . . . . 15.0 109.109 170.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.521 ' HB3' ' HD2' ' B' ' 214' ' ' PRO . 0.0 OUTLIER -91.96 154.89 18.52 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.591 -1.64 . . . . 15.0 107.934 179.062 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -69.99 141.19 89.13 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.283 0.475 . . . . 15.0 112.283 -160.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 28.0 Cg_exo -60.04 -34.31 94.82 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.231 2.621 . . . . 15.0 112.887 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.8 p -166.29 120.47 1.13 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.066 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.749 0 CA-C-O 118.78 -1.011 . . . . 15.0 112.038 179.302 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 109.851 -0.426 . . . . 15.0 109.851 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 9.2 pt -120.1 89.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.938 -0.574 . . . . 15.0 109.787 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.462 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.741 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 3.0 Cg_exo -80.45 140.96 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.716 1 C-N-CA 126.74 4.96 . . . . 15.0 114.724 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.555 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 44.7 Cg_endo -69.98 142.72 47.67 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 124.622 3.548 . . . . 15.0 109.826 158.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.708 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 1.8 mp -82.1 142.04 47.41 Favored Pre-proline 0 CA--C 1.515 -0.383 0 CA-C-O 121.888 0.852 . . . . 15.0 110.09 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 35' ' ' GLU . 31.5 Cg_exo -56.54 -9.83 4.3 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 125.141 3.894 . . . . 15.0 115.112 -174.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.608 -0.711 . . . . 15.0 110.888 -177.38 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.732 ' H3 ' ' HD2' ' A' ' 8' ' ' PRO . 10.1 tt . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 119.458 -0.306 . . . . 15.0 111.607 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.732 ' HD2' ' H3 ' ' A' ' 7' ' ' LEU . 1.2 Cg_endo -42.29 -46.53 7.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 123.654 2.903 . . . . 15.0 115.712 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 11.3 Cg_endo -53.39 -29.89 50.39 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.519 2.146 . . . . 15.0 113.625 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.12 -37.65 4.3 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.451 -0.881 . . . . 15.0 112.966 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.847 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 54.2 m95 -91.75 116.96 29.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.951 0.405 . . . . 15.0 111.328 -175.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -106.85 144.07 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.952 -0.759 . . . . 15.0 108.952 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.541 ' HB3' ' HZ2' ' A' ' 13' ' ' LYS . 5.7 mtpm? -89.9 91.86 8.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.352 1.072 . . . . 15.0 110.728 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -97.05 150.4 20.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.26 -1.791 . . . . 15.0 108.802 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.0 mtt -89.46 142.79 27.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.532 0.682 . . . . 15.0 112.052 -170.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.516 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 16.3 m -89.55 132.3 35.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.689 -1.141 . . . . 15.0 109.108 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.591 ' NH1' ' HD3' ' B' ' 208' ' ' ARG . 20.0 ttp180 -70.23 -70.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.977 1.423 . . . . 15.0 113.564 -159.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.9 m -88.08 -14.42 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.183 0.516 . . . . 15.0 111.195 -172.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.481 ' HG ' ' HH2' ' A' ' 34' ' ' TRP . 6.0 p -90.33 -22.96 21.28 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.993 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 57.37 18.11 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.709 -0.757 . . . . 15.0 111.388 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 21' ' ' ARG . 22.1 ttt180 -136.39 150.78 48.96 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.97 -0.115 . . . . 15.0 110.92 -171.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.61 122.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 O-C-N 121.532 -0.73 . . . . 15.0 110.863 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.6 p90 -126.52 150.31 48.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.073 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.847 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 77.2 m-85 -89.98 109.32 20.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 15.0 110.44 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.653 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 27.9 t80 -100.62 119.66 38.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.026 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.677 ' OD1' HG12 ' A' ' 28' ' ' ILE . 51.0 t-20 -110.66 126.69 54.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.653 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.7 p80 -107.12 5.43 27.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.227 0.825 . . . . 15.0 113.227 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.677 HG12 ' OD1' ' A' ' 26' ' ' ASN . 24.1 pt -78.35 -40.37 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 107.804 -1.184 . . . . 15.0 107.804 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.482 ' N ' HG13 ' A' ' 28' ' ' ILE . 39.5 p -90.32 -20.64 22.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.215 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 12.6 t-20 68.51 22.61 7.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.618 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.618 ' HB3' HE21 ' A' ' 33' ' ' GLN . . . -102.6 129.77 49.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 15.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.3 m -96.56 118.37 32.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.793 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.675 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 71.9 mm-40 -124.29 113.33 18.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 15.0 111.451 -174.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.626 ' HE1' ' HD2' ' B' ' 211' ' ' PRO . 13.0 m0 -84.7 -35.06 22.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.188 0.994 . . . . 15.0 109.082 175.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -82.64 149.38 27.43 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 113.621 -1.627 . . . . 15.0 106.854 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -69.84 132.22 88.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.515 0.561 . . . . 15.0 112.515 -159.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 9.6 Cg_endo -55.92 -29.94 75.27 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 123.735 2.957 . . . . 15.0 112.824 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 p -97.49 109.48 22.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.134 0.492 . . . . 15.0 110.804 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.372 -1.238 . . . . 15.0 111.344 -179.805 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . 0.591 ' HD3' ' NH1' ' A' ' 17' ' ' ARG . 8.8 ptp180 . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.676 0.274 . . . . 15.0 110.294 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 30.1 mt -136.88 114.59 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.76 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.44 ' O3P' ' HB3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.626 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 14.1 Cg_exo -75.67 119.03 5.3 Favored 'Trans proline' 0 C--N 1.312 -1.382 1 C-N-CA 126.865 5.044 . . . . 15.0 113.56 177.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.556 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 51.3 Cg_endo -70.97 99.22 0.86 Allowed 'Trans proline' 0 C--N 1.298 -2.083 0 C-N-CA 123.521 2.814 . . . . 15.0 112.023 169.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.608 ' CD2' ' H ' ' A' ' 34' ' ' TRP . 1.3 mp -123.28 134.79 25.4 Favored Pre-proline 0 N--CA 1.472 0.644 0 N-CA-C 108.52 -0.918 . . . . 15.0 108.52 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.49 -10.04 23.43 Favored 'Trans proline' 0 C--N 1.331 -0.387 0 C-N-CA 123.277 2.651 . . . . 15.0 113.755 -166.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.383 -0.817 . . . . 15.0 110.492 -178.369 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.952 ' H1 ' ' HD2' ' A' ' 8' ' ' PRO . 12.6 tp . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 112.192 0.441 . . . . 15.0 112.192 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.952 ' HD2' ' H1 ' ' A' ' 7' ' ' LEU . 3.2 Cg_endo -47.26 -38.27 25.64 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 C-N-CA 123.013 2.476 . . . . 15.0 115.917 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 10.3 Cg_endo -52.56 -29.97 42.89 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 122.13 1.887 . . . . 15.0 113.325 177.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.49 -40.14 2.63 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.444 -0.884 . . . . 15.0 112.046 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.905 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 60.2 m95 -89.89 100.92 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.093 0.473 . . . . 15.0 110.569 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.99 137.59 32.21 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.678 -0.692 . . . . 15.0 109.197 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.687 ' HZ1' ' HB3' ' A' ' 13' ' ' LYS . 9.5 mtpm? -90.0 92.27 8.92 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 122.491 1.139 . . . . 15.0 110.829 -178.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.657 ' HG2' ' HH ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -95.15 150.68 19.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 112.579 -2.1 . . . . 15.0 108.442 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.488 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 1.6 mpt? -89.17 140.91 28.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.716 0.77 . . . . 15.0 110.682 -173.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.694 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 7.6 m -89.67 135.81 33.4 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.254 -1.339 . . . . 15.0 109.456 -174.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 41.0 ttt-85 -69.4 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.934 1.396 . . . . 15.0 113.08 -163.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -71.51 -41.02 69.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -171.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 t -90.12 -11.62 40.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.57 0.581 . . . . 15.0 112.57 -172.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.74 60.3 7.95 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.271 -0.966 . . . . 15.0 111.607 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -124.22 150.47 45.22 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.928 -0.136 . . . . 15.0 110.994 -171.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.411 ' HB ' ' HZ3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -89.81 90.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 O-C-N 121.486 -0.759 . . . . 15.0 110.86 173.019 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.657 ' HH ' ' HG2' ' A' ' 14' ' ' ARG . 8.7 p90 -95.63 150.23 20.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 15.0 110.733 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.573 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 69.4 m-85 -89.73 107.4 19.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.007 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 63.6 t80 -99.86 120.15 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.858 0.361 . . . . 15.0 110.51 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.573 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.4 t30 -121.17 120.25 34.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.421 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.488 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.8 p80 -94.59 -2.04 52.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.573 HG12 ' OD1' ' A' ' 26' ' ' ASN . 16.5 pt -74.41 -39.32 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.202 -0.999 . . . . 15.0 108.416 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 28' ' ' ILE . 57.2 p -90.37 -19.91 23.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.662 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t30 70.17 16.33 7.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.814 0.816 . . . . 15.0 109.875 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.05 144.3 30.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.513 -0.767 . . . . 15.0 111.032 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 p -115.55 108.33 16.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.779 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.905 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 1.7 mp0 -111.21 100.34 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.694 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.0 m0 -69.77 -36.77 76.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.957 -1.497 . . . . 15.0 106.957 165.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.582 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 13.6 pt-20 -73.35 142.98 47.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 112.253 -2.249 . . . . 15.0 108.143 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -69.87 133.3 88.3 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.887 -0.508 . . . . 15.0 112.024 -168.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 52.7 Cg_exo -54.52 -30.24 63.77 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.859 3.039 . . . . 15.0 113.806 -175.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p -146.72 8.96 1.01 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.098 0.475 . . . . 15.0 110.612 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.343 -1.254 . . . . 15.0 111.794 -174.325 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 208' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.784 -0.45 . . . . 15.0 109.784 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 3.5 pt -83.74 89.58 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 120.346 -0.542 . . . . 15.0 110.511 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.556 ' O3P' ' HD3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.458 ' HA ' ' HD2' ' B' ' 212' ' ' PRO . 6.3 Cg_exo -81.36 124.34 4.72 Favored 'Trans proline' 0 C--N 1.306 -1.663 1 C-N-CA 127.05 5.167 . . . . 15.0 114.077 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.583 ' O ' HD12 ' B' ' 213' ' ' LEU . 59.8 Cg_endo -73.82 99.4 1.16 Allowed 'Trans proline' 0 C--N 1.301 -1.954 0 C-N-CA 123.876 3.05 . . . . 15.0 111.507 165.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.583 HD12 ' O ' ' B' ' 212' ' ' PRO . 4.2 mp -129.48 148.51 69.6 Favored Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 108.752 -0.833 . . . . 15.0 108.752 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.01 -9.75 23.88 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.977 2.451 . . . . 15.0 113.317 -175.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--O 1.254 1.34 0 CA-C-O 118.286 -0.864 . . . . 15.0 110.919 -176.71 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.437 HD13 ' HD2' ' A' ' 8' ' ' PRO . 48.0 tp . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.253 -0.277 . . . . 15.0 110.253 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.611 ' HB2' ' HD1' ' A' ' 11' ' ' TRP . 49.4 Cg_exo -56.56 132.5 52.17 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.043 2.496 . . . . 15.0 112.563 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.12 -29.63 56.71 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.602 2.868 . . . . 15.0 113.385 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.63 -11.98 63.43 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.021 -0.609 . . . . 15.0 113.595 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.611 ' HD1' ' HB2' ' A' ' 8' ' ' PRO . 75.2 m95 -91.3 112.64 24.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.168 0.509 . . . . 15.0 110.467 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -98.72 147.15 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.811 -176.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.709 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 13.1 mmmm -89.95 99.3 12.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.095 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.535 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 40.1 ttm180 -113.42 150.19 33.1 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.383 -0.826 . . . . 15.0 109.194 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 ttm -89.68 137.33 32.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.291 0.567 . . . . 15.0 110.361 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.501 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 3.0 m -89.66 139.29 30.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.427 -0.806 . . . . 15.0 109.301 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HD3' ' O2P' ' B' ' 210' ' ' SEP . 48.6 ttt180 -69.82 -68.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.963 -165.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.427 0.528 . . . . 15.0 112.427 -167.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 t -90.09 -19.79 23.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.883 0.327 . . . . 15.0 111.883 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.71 45.26 94.88 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.586 -0.816 . . . . 15.0 111.991 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -142.42 150.5 40.7 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.28 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 118.95 0.796 . . . . 15.0 111.558 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.535 ' OH ' ' HD2' ' A' ' 14' ' ' ARG . 12.1 p90 -129.83 150.65 51.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.522 -1.217 . . . . 15.0 108.604 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.709 ' CE2' ' HD3' ' A' ' 13' ' ' LYS . 71.9 m-85 -89.59 114.6 26.2 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.743 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 38.6 t80 -103.19 127.79 50.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.022 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.701 HD22 HG12 ' A' ' 28' ' ' ILE . 20.7 t-20 -124.77 128.0 48.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.165 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.743 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 8.9 p80 -106.75 10.22 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.999 -0.68 . . . . 15.0 112.666 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.701 HG12 HD22 ' A' ' 26' ' ' ASN . 23.9 pt -80.56 -41.51 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 119.342 -0.943 . . . . 15.0 108.843 171.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.582 HG23 ' OD1' ' A' ' 26' ' ' ASN . 13.4 t -90.51 -16.56 28.65 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.51 -0.313 . . . . 15.0 110.424 166.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.592 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 13.6 t-20 58.5 60.16 2.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.911 0.862 . . . . 15.0 109.969 -176.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.9 150.05 45.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.789 -1.096 . . . . 15.0 109.527 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -115.79 123.23 47.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.362 -0.381 . . . . 15.0 110.591 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 29.2 mt-30 -120.22 108.64 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 15.0 112.238 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.715 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 17.0 m95 -69.8 -46.16 66.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 122.208 1.004 . . . . 15.0 108.378 168.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.964 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 0.9 OUTLIER -70.69 144.3 51.07 Favored 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 113.51 -1.677 . . . . 15.0 107.739 176.056 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -69.87 121.19 81.94 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -166.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.88 -30.05 83.38 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.415 2.743 . . . . 15.0 111.064 171.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 p -104.67 103.65 13.33 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.025 -0.989 . . . . 15.0 109.752 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.804 -0.998 . . . . 15.0 111.308 -174.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.9 -0.407 . . . . 15.0 109.9 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 7.4 mt -111.44 89.72 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 108.363 -0.977 . . . . 15.0 108.363 166.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.459 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.715 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 11.7 Cg_exo -74.89 138.7 23.68 Favored 'Trans proline' 0 C--N 1.304 -1.811 1 C-N-CA 126.508 4.805 . . . . 15.0 114.728 -175.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.551 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 52.2 Cg_endo -71.0 133.67 23.77 Favored 'Trans proline' 0 C--N 1.302 -1.876 0 C-N-CA 124.278 3.319 . . . . 15.0 109.812 158.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.702 HD13 ' H ' ' B' ' 213' ' ' LEU . 1.9 mp -70.32 143.75 91.18 Favored Pre-proline 0 CA--C 1.508 -0.659 0 CA-C-O 121.568 0.699 . . . . 15.0 109.388 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.964 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 50.5 Cg_exo -52.42 -9.78 0.66 Allowed 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 124.848 3.699 . . . . 15.0 114.231 -174.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.48 -0.772 . . . . 15.0 109.449 174.892 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.703 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 2.4 pp . . . . . 0 CA--C 1.555 1.137 0 N-CA-C 115.316 1.598 . . . . 15.0 115.316 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.703 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 1.4 Cg_endo -46.77 -39.71 24.12 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.207 1.938 . . . . 15.0 115.809 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 6.8 Cg_endo -50.32 -29.97 25.09 Favored 'Trans proline' 0 C--N 1.361 1.237 0 C-N-CA 122.475 2.117 . . . . 15.0 113.277 176.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -104.57 -43.59 1.68 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.761 -0.733 . . . . 15.0 111.77 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.905 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 68.6 m95 -94.15 110.15 21.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.87 0.367 . . . . 15.0 110.392 -178.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 89.7 mt-10 -89.97 146.13 24.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.84 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.763 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 36.1 mmtt -89.67 90.49 8.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.0 -0.741 . . . . 15.0 109.0 170.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -104.03 150.31 24.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.67 -1.15 . . . . 15.0 109.091 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.2 mtp -89.59 130.57 35.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.335 0.588 . . . . 15.0 110.506 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.1 p -89.95 142.87 27.29 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.129 -0.941 . . . . 15.0 108.856 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.607 ' HD3' ' O1P' ' B' ' 210' ' ' SEP . 17.1 ttt180 -69.37 -69.94 0.31 Allowed 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.903 1.377 . . . . 15.0 112.608 -163.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 p -70.01 -25.9 63.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.357 0.503 . . . . 15.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 t -90.11 -25.25 20.83 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.726 -0.39 . . . . 15.0 111.636 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.48 42.24 99.72 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.028 -0.606 . . . . 15.0 111.835 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -135.25 150.27 50.03 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.899 -0.177 . . . . 15.0 111.159 -170.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.763 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.7 m -89.54 107.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.268 1.032 . . . . 15.0 112.253 -173.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -100.05 150.81 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 15.0 109.226 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.905 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 11.6 m-85 -89.03 106.94 18.76 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.291 0.567 . . . . 15.0 110.326 -176.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.758 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 26.2 t80 -96.91 119.23 34.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.411 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.663 ' OD1' HG12 ' A' ' 28' ' ' ILE . 31.8 t30 -112.92 117.19 31.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.649 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.758 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.3 p80 -96.45 4.31 52.22 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.663 HG12 ' OD1' ' A' ' 26' ' ' ASN . 36.8 pt -77.81 -42.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 118.914 -1.114 . . . . 15.0 109.034 171.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t -90.4 -18.74 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.2 -0.454 . . . . 15.0 110.378 172.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 t30 65.93 60.26 0.68 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.956 0.884 . . . . 15.0 110.087 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.97 147.67 39.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 15.0 110.252 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -112.0 107.79 16.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.342 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.665 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.9 mm100 -113.6 114.43 26.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.405 0.622 . . . . 15.0 112.18 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.68 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 14.7 m95 -75.25 -23.96 57.56 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.271 1.034 . . . . 15.0 109.155 169.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.919 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 1.5 pp20? -92.04 140.67 29.42 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 113.509 -1.678 . . . . 15.0 108.292 -175.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.549 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -70.07 134.65 87.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 15.0 111.674 -168.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -68.74 -30.02 28.25 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.063 2.508 . . . . 15.0 111.512 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -129.19 117.37 20.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.452 -0.795 . . . . 15.0 109.378 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.631 -1.094 . . . . 15.0 111.892 -177.714 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 208' ' ' ARG . 67.4 mtt85 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.572 0.225 . . . . 15.0 110.569 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 4.4 mp -140.15 100.92 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.547 -0.538 . . . . 15.0 109.547 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.607 ' O1P' ' HD3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.68 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 16.5 Cg_exo -75.34 137.66 21.26 Favored 'Trans proline' 0 C--N 1.308 -1.603 1 C-N-CA 126.76 4.973 . . . . 15.0 115.073 -178.38 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.528 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 54.5 Cg_endo -70.69 139.25 36.58 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 124.782 3.655 . . . . 15.0 110.654 160.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.616 ' N ' HD13 ' B' ' 213' ' ' LEU . 0.9 OUTLIER -86.26 142.45 35.71 Favored Pre-proline 0 CA--C 1.507 -0.706 0 CA-C-O 121.915 0.864 . . . . 15.0 109.705 177.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.919 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 46.0 Cg_exo -56.92 -9.84 4.81 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 125.021 3.814 . . . . 15.0 113.762 -177.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.812 -0.613 . . . . 15.0 110.261 178.234 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.536 ' H3 ' HD21 ' A' ' 7' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.1 -0.333 . . . . 15.0 110.1 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.12 148.98 66.03 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.06 2.507 . . . . 15.0 112.72 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -46.49 -29.63 7.54 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.887 3.058 . . . . 15.0 112.908 175.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -58.58 -9.89 7.24 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.685 -0.689 . . . . 15.0 114.032 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.811 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 70.3 m95 -89.84 108.21 19.57 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 117.645 0.723 . . . . 15.0 109.601 174.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.56 150.59 26.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.113 -172.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.955 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 17.4 mmtp -89.37 102.68 15.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.542 0.687 . . . . 15.0 109.303 172.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -113.81 150.6 33.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.406 -1.27 . . . . 15.0 109.215 -175.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 ttm -89.33 130.76 35.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 15.0 110.957 -170.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.543 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 8.6 m -89.84 129.62 36.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.758 -1.11 . . . . 15.0 109.404 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -69.76 -44.09 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 15.0 112.944 -167.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 p -70.05 -70.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.249 0.463 . . . . 15.0 112.249 -172.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m -86.24 -9.68 56.05 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.215 0.45 . . . . 15.0 112.215 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 60.01 4.71 Favored Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.489 -0.862 . . . . 15.0 111.168 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.479 ' H ' ' HB2' ' A' ' 16' ' ' SER . 5.5 mmp_? -120.59 150.18 41.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.673 -0.264 . . . . 15.0 111.428 -170.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.955 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.6 93.52 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.517 0.675 . . . . 15.0 110.337 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.552 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -96.0 150.55 20.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.32 -0.854 . . . . 15.0 109.698 -177.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.811 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 1.7 m-85 -89.42 107.21 18.94 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.597 0.713 . . . . 15.0 109.87 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.686 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 48.7 t80 -99.49 122.34 42.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.854 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.552 HD22 HG12 ' A' ' 28' ' ' ILE . 17.8 t-20 -114.58 123.9 50.52 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.686 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.8 p80 -105.42 15.52 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.967 0.729 . . . . 15.0 112.967 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.552 HG12 HD22 ' A' ' 26' ' ' ASN . 22.3 pt -85.44 -45.61 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.274 -1.009 . . . . 15.0 108.274 169.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.515 ' N ' HG13 ' A' ' 28' ' ' ILE . 62.1 p -90.33 -18.28 25.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.474 171.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 t30 75.73 20.12 1.88 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 124.025 0.828 . . . . 15.0 109.758 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.96 134.81 34.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.186 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -110.47 115.4 29.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.683 -0.689 . . . . 15.0 109.739 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.465 ' HG3' ' HH2' ' A' ' 11' ' ' TRP . 27.9 mm-40 -124.49 111.17 15.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.806 0.298 . . . . 15.0 111.806 -173.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.71 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 11.6 m95 -70.77 -30.9 67.52 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.957 0.884 . . . . 15.0 109.236 171.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.595 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 11.1 pt-20 -90.71 148.88 22.3 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.994 -1.457 . . . . 15.0 108.262 -178.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -69.92 134.35 87.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 111.631 0.234 . . . . 15.0 111.631 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 39' ' ' GLY . 5.3 Cg_endo -50.67 -72.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.568 2.845 . . . . 15.0 111.606 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.5 m 69.98 -26.38 0.16 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.665 0.987 . . . . 15.0 113.665 172.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 37' ' ' PRO . . . . . . . . 0 C--O 1.247 0.914 0 CA-C-O 118.636 -1.091 . . . . 15.0 111.936 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.083 0.468 . . . . 15.0 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 33.0 mt -101.83 122.38 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.511 . . . . 15.0 109.858 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.482 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.71 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 18.0 Cg_exo -72.52 134.88 23.19 Favored 'Trans proline' 0 C--N 1.306 -1.66 1 C-N-CA 126.357 4.705 . . . . 15.0 114.563 -178.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.77 135.26 29.97 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 124.553 3.502 . . . . 15.0 110.428 161.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.62 ' H ' HD12 ' B' ' 213' ' ' LEU . 1.5 mp -77.9 132.56 67.42 Favored Pre-proline 0 CA--C 1.513 -0.461 0 CA-C-O 121.692 0.758 . . . . 15.0 109.801 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.595 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 27.5 Cg_exo -59.44 -9.59 9.14 Favored 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 124.948 3.765 . . . . 15.0 114.991 -172.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 4.4 m-85 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.69 -0.671 . . . . 15.0 110.918 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.505 HD12 ' HD2' ' A' ' 8' ' ' PRO . 56.8 tp . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.946 -0.39 . . . . 15.0 109.946 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' HD2' HD12 ' A' ' 7' ' ' LEU . 53.1 Cg_exo -56.36 134.0 61.55 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.0 2.467 . . . . 15.0 112.323 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 -29.71 42.42 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.599 2.866 . . . . 15.0 113.112 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.63 -12.09 32.27 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.999 -0.546 . . . . 15.0 113.391 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.701 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 47.4 m95 -90.44 104.71 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.359 0.599 . . . . 15.0 109.91 173.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -92.29 145.98 24.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.349 -0.841 . . . . 15.0 110.338 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.826 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 1.5 mmpt? -89.96 96.08 10.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.766 0.793 . . . . 15.0 109.694 174.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -106.69 150.53 26.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.356 -1.293 . . . . 15.0 108.866 -174.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.6 mtp -89.59 135.31 33.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.991 0.901 . . . . 15.0 111.96 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.618 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 6.0 m -89.77 139.49 30.52 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 113.987 -1.46 . . . . 15.0 108.797 -178.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -69.8 -69.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 15.0 112.931 -164.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -69.97 -36.49 75.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.084 0.402 . . . . 15.0 112.084 -168.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 m -90.29 -17.45 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.72 59.57 9.98 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.578 -0.82 . . . . 15.0 111.797 -174.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -134.21 150.32 51.05 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 122.905 -0.173 . . . . 15.0 111.092 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.826 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -89.46 107.56 18.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.707 0.765 . . . . 15.0 111.744 -176.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.455 ' HD2' ' OG ' ' A' ' 16' ' ' SER . 22.9 p90 -103.78 150.76 23.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.975 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.701 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 83.1 m-85 -89.21 111.3 22.07 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.791 -0.641 . . . . 15.0 109.706 -176.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.65 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 69.8 t80 -104.17 125.69 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.306 -0.861 . . . . 15.0 110.122 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.568 HD22 HG12 ' A' ' 28' ' ' ILE . 4.1 t-20 -124.56 107.14 10.73 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.65 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.5 p80 -85.87 -3.92 59.04 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.899 0.703 . . . . 15.0 112.899 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.568 HG12 HD22 ' A' ' 26' ' ' ASN . 25.5 pt -69.15 -46.52 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.4 -0.92 . . . . 15.0 109.187 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.543 ' N ' HG13 ' A' ' 28' ' ' ILE . 16.7 p -90.16 -12.07 39.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.123 172.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 62.04 60.13 1.56 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.494 -0.775 . . . . 15.0 109.944 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.58 148.86 51.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.459 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.5 ' HB2' ' HG3' ' B' ' 211' ' ' PRO . 23.4 p -125.9 119.15 27.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.053 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -135.86 108.88 7.66 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.694 0.628 . . . . 15.0 112.694 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 1.059 ' HB2' HD13 ' B' ' 213' ' ' LEU . 1.2 m0 -69.94 -28.33 65.48 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 107.081 -1.452 . . . . 15.0 107.081 170.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.58 ' HB3' ' HB2' ' B' ' 213' ' ' LEU . 11.4 pt-20 -77.63 150.48 34.62 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 112.647 -2.069 . . . . 15.0 108.499 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 36' ' ' ARG . 44.4 ttm180 -69.76 126.61 92.62 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.915 0.388 . . . . 15.0 111.894 -166.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.422 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 16.4 Cg_endo -61.04 -30.12 88.95 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.491 2.794 . . . . 15.0 112.894 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -154.95 111.87 3.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.191 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.544 -1.142 . . . . 15.0 110.96 177.137 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . 0.62 ' HD2' ' H1 ' ' B' ' 208' ' ' ARG . 9.9 mpt_? . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.599 0.238 . . . . 15.0 110.854 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.07 117.1 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.417 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.73 ' HB2' ' NE1' ' A' ' 34' ' ' TRP . 16.4 Cg_exo -73.72 138.98 27.25 Favored 'Trans proline' 0 C--N 1.312 -1.374 1 C-N-CA 127.133 5.222 . . . . 15.0 115.3 -176.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.485 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 56.3 Cg_endo -70.99 132.15 20.84 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 125.223 3.949 . . . . 15.0 114.097 164.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 1.059 HD13 ' HB2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -147.74 161.23 36.02 Favored Pre-proline 0 N--CA 1.472 0.638 0 N-CA-C 108.38 -0.97 . . . . 15.0 108.38 164.487 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 213' ' ' LEU . 35.4 Cg_endo -67.98 -18.53 46.39 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 123.812 3.008 . . . . 15.0 115.37 -175.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . 0.743 ' H ' ' HG ' ' B' ' 213' ' ' LEU . 35.3 p90 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.263 -0.875 . . . . 15.0 111.668 -178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.4 tp . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.092 -0.336 . . . . 15.0 110.092 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.15 138.95 88.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 123.094 2.53 . . . . 15.0 112.798 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.82 -29.52 63.34 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.786 2.991 . . . . 15.0 113.015 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -57.56 -9.99 5.5 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 115.797 -0.638 . . . . 15.0 114.29 -178.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.68 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 78.9 m95 -89.65 105.11 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 15.0 110.215 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.06 144.17 26.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.06 -0.973 . . . . 15.0 109.858 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -89.93 104.77 17.31 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.441 -0.578 . . . . 15.0 109.441 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.89 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.16 149.93 43.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.187 -174.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -89.53 128.08 35.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.132 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.646 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 54.9 p -89.93 132.85 35.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.65 -0.704 . . . . 15.0 110.494 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 17' ' ' ARG . 13.9 ttp85 -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.224 -1.353 . . . . 15.0 112.871 -167.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.675 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 4.3 m -70.27 -69.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.735 0.302 . . . . 15.0 111.497 -174.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -89.32 -10.09 48.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.966 0.358 . . . . 15.0 111.966 -172.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.47 53.62 16.27 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.253 -1.139 . . . . 15.0 110.253 -172.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -126.86 150.41 49.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.06 -0.57 . . . . 15.0 110.143 -168.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 m -89.14 110.25 21.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.851 0.834 . . . . 15.0 109.77 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.775 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 6.5 p90 -113.58 150.27 33.29 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.561 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.68 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 61.2 m-85 -89.64 114.99 26.69 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.074 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.9 t80 -100.89 111.71 23.98 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.118 -0.364 . . . . 15.0 110.399 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.671 ' OD1' HG12 ' A' ' 28' ' ' ILE . 30.4 t30 -108.46 121.12 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.783 0.325 . . . . 15.0 110.703 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 3.2 p80 -97.82 -4.17 37.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.04 0.755 . . . . 15.0 113.04 -175.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.671 HG12 ' OD1' ' A' ' 26' ' ' ASN . 40.6 pt -70.71 -42.27 77.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.237 -0.985 . . . . 15.0 109.201 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 31' ' ' ALA . 9.9 t -90.3 -15.26 31.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.277 -0.42 . . . . 15.0 109.943 168.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.654 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 2.7 t30 67.61 18.37 9.92 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.626 0.77 . . . . 15.0 110.417 -178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.636 ' H ' HG22 ' A' ' 29' ' ' THR . . . -100.6 125.26 46.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.478 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 p -89.88 126.18 35.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.543 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.3 mm-40 -128.49 110.12 12.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.631 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.881 ' HB2' HD13 ' B' ' 213' ' ' LEU . 9.6 m0 -75.04 -22.49 58.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.638 -1.245 . . . . 15.0 107.638 172.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -90.14 158.01 17.47 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 112.615 -2.084 . . . . 15.0 108.731 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 79.1 mtt180 -69.69 130.99 89.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.363 -0.211 . . . . 15.0 111.568 -168.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.6 Cg_exo -63.37 -36.02 58.24 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.841 2.36 . . . . 15.0 113.12 -176.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -121.49 123.83 42.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.405 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.545 -1.141 . . . . 15.0 111.258 176.843 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.702 0.287 . . . . 15.0 110.793 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 23.2 mt -83.69 128.29 38.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.859 -0.423 . . . . 15.0 109.859 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.491 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.697 ' HB2' ' NE1' ' A' ' 34' ' ' TRP . 16.8 Cg_exo -74.45 136.9 22.28 Favored 'Trans proline' 0 C--N 1.314 -1.257 1 C-N-CA 127.083 5.189 . . . . 15.0 115.445 -177.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.543 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 72.1 Cg_endo -75.61 124.09 8.0 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 125.17 3.913 . . . . 15.0 113.779 162.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.881 HD13 ' HB2' ' A' ' 34' ' ' TRP . 1.4 pt? -119.99 171.5 5.56 Favored Pre-proline 0 N--CA 1.476 0.863 0 N-CA-C 107.853 -1.166 . . . . 15.0 107.853 162.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.841 ' HD2' ' HB2' ' B' ' 213' ' ' LEU . 21.9 Cg_endo -61.98 -9.79 15.6 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 124.49 3.46 . . . . 15.0 115.259 -176.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . 0.726 ' H ' ' HG ' ' B' ' 213' ' ' LEU . 14.1 p90 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.097 -0.954 . . . . 15.0 111.543 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.72 ' HB2' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 115.863 1.801 . . . . 15.0 115.863 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 5.4 Cg_endo -48.48 -37.88 34.25 Favored 'Trans proline' 0 C--N 1.373 1.866 0 CA-C-N 122.149 1.803 . . . . 15.0 115.903 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 9.5 Cg_endo -52.8 -29.82 44.33 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 122.234 1.956 . . . . 15.0 113.392 177.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -108.69 -42.03 1.39 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.539 -0.839 . . . . 15.0 112.185 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.72 ' CD1' ' HB2' ' A' ' 7' ' ' LEU . 45.8 m95 -90.63 110.83 21.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.061 0.458 . . . . 15.0 110.386 -177.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -89.77 142.65 27.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 15.0 110.326 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.86 97.71 11.35 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.61 -0.515 . . . . 15.0 109.61 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 44.2 ttm180 -116.85 150.23 38.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.642 -175.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.8 ttt -89.7 128.44 36.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 15.0 110.164 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.486 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 24.0 p -89.83 147.55 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.424 -0.807 . . . . 15.0 109.543 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.668 ' HB3' ' O3P' ' B' ' 210' ' ' SEP . 74.4 ttt180 -69.84 -70.44 0.29 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.21 -1.359 . . . . 15.0 113.581 -159.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.2 m -69.81 -37.77 76.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 15.0 112.482 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.71 -13.3 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.439 0.533 . . . . 15.0 112.439 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.65 51.24 59.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.758 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.571 ' HD2' ' HZ3' ' A' ' 34' ' ' TRP . 84.6 mtt180 -125.73 150.13 47.96 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.466 0.174 . . . . 15.0 111.23 -171.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 m -89.43 101.5 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.917 0.865 . . . . 15.0 110.877 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.547 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 19.1 p90 -104.58 150.29 24.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.886 -1.052 . . . . 15.0 109.701 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.553 ' CB ' ' HE3' ' A' ' 11' ' ' TRP . 38.2 m-85 -89.89 104.9 17.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.165 -0.471 . . . . 15.0 110.103 -177.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.548 ' CE2' ' HD2' ' A' ' 27' ' ' HIS . 16.4 t80 -89.96 108.92 20.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.665 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.7 t30 -102.35 116.35 32.45 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.083 -0.385 . . . . 15.0 110.643 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.548 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 1.9 p80 -93.98 -5.5 47.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.213 0.82 . . . . 15.0 113.213 -174.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.665 HG12 ' OD1' ' A' ' 26' ' ' ASN . 29.9 pt -73.02 -38.43 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 119.038 -1.065 . . . . 15.0 108.806 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -90.27 -18.45 25.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.053 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 2.8 t-20 71.5 10.72 6.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.585 0.754 . . . . 15.0 109.935 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.05 130.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 15.0 110.753 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.6 m -95.99 105.69 17.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.134 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.431 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.6 mm100 -108.8 149.68 28.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.046 0.451 . . . . 15.0 111.175 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.67 ' NE1' ' HB2' ' B' ' 211' ' ' PRO . 13.3 m95 -106.68 -31.98 8.21 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 122.008 0.909 . . . . 15.0 109.429 176.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.492 ' HB3' ' HE1' ' B' ' 215' ' ' PHE . 6.8 pm0 -87.68 147.5 25.21 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 113.466 -1.697 . . . . 15.0 108.682 -171.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -69.84 134.22 88.05 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 116.294 -0.412 . . . . 15.0 112.094 -167.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -73.02 -83.27 0.0 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.967 2.445 . . . . 15.0 110.556 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -142.32 94.95 2.72 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.562 -0.903 . . . . 15.0 108.562 171.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.083 0 CA-C-O 118.519 -1.156 . . . . 15.0 111.793 -177.259 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . 0.616 ' HD2' ' H3 ' ' B' ' 208' ' ' ARG . 2.2 mpt_? . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.773 0.321 . . . . 15.0 110.257 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 4.1 mp -105.67 108.46 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.163 -0.471 . . . . 15.0 109.81 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.668 ' O3P' ' HB3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.67 ' HB2' ' NE1' ' A' ' 34' ' ' TRP . 16.8 Cg_exo -74.74 139.16 24.68 Favored 'Trans proline' 0 C--N 1.31 -1.483 1 C-N-CA 126.875 5.05 . . . . 15.0 115.224 -178.782 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.55 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 53.2 Cg_endo -71.3 132.78 21.48 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 124.886 3.724 . . . . 15.0 111.152 160.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.62 HD13 ' H ' ' B' ' 213' ' ' LEU . 1.1 mp -79.33 138.6 55.7 Favored Pre-proline 0 CA--C 1.507 -0.709 0 CA-C-O 121.827 0.822 . . . . 15.0 109.634 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' B' ' 213' ' ' LEU . 32.1 Cg_exo -58.94 -9.81 8.55 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 124.684 3.59 . . . . 15.0 113.962 -175.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . 0.492 ' HE1' ' HB3' ' A' ' 35' ' ' GLU . 14.9 p90 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 118.231 -0.89 . . . . 15.0 110.094 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.681 ' H1 ' ' HD2' ' A' ' 8' ' ' PRO . 89.3 mt . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 119.254 -0.403 . . . . 15.0 111.66 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.681 ' HD2' ' H1 ' ' A' ' 7' ' ' LEU . 3.3 Cg_endo -42.17 -46.22 7.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 123.838 3.025 . . . . 15.0 116.075 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 11.9 Cg_endo -54.17 -31.02 63.79 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.259 1.973 . . . . 15.0 113.577 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -110.12 -41.86 1.24 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.618 -0.801 . . . . 15.0 112.707 -178.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.594 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 65.6 m95 -90.03 104.09 16.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.059 0.457 . . . . 15.0 111.002 -174.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.34 141.83 28.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.496 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.7 mtpt -89.88 100.83 13.57 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 122.338 1.066 . . . . 15.0 109.921 174.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.596 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 3.0 tpm_? -110.05 150.51 28.45 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.286 -1.779 . . . . 15.0 108.827 -173.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.37 121.57 31.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.394 0.616 . . . . 15.0 110.192 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.637 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 29.5 p -90.01 137.56 32.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.675 -176.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 53.1 ttt180 -70.0 -26.23 63.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.632 -1.167 . . . . 15.0 113.429 -169.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.711 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 48.1 t -70.31 -70.13 0.31 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.391 -172.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -10.26 44.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.53 55.77 8.27 Favored Glycine 0 N--CA 1.452 -0.245 0 N-CA-C 110.503 -1.039 . . . . 15.0 110.503 -172.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -132.85 150.63 52.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.407 -0.396 . . . . 15.0 110.574 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.55 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -89.37 97.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 122.219 1.009 . . . . 15.0 110.232 -178.294 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.637 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 17.9 p90 -89.95 150.78 22.01 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.487 -1.688 . . . . 15.0 108.782 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.497 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 94.9 m-85 -88.96 103.35 15.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.623 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 39.5 t80 -96.57 118.34 32.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.359 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.688 ' OD1' HG12 ' A' ' 28' ' ' ILE . 34.5 t30 -114.65 113.63 24.6 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.556 0.217 . . . . 15.0 110.889 -177.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.607 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.5 p80 -92.7 2.9 56.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.749 0.648 . . . . 15.0 112.749 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.688 HG12 ' OD1' ' A' ' 26' ' ' ASN . 31.7 pt -74.95 -43.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.883 -1.127 . . . . 15.0 108.856 172.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.595 HG21 ' H ' ' A' ' 31' ' ' ALA . 9.6 t -90.53 -13.78 33.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.447 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.8 t30 68.39 18.28 9.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.618 0.767 . . . . 15.0 110.73 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.595 ' H ' HG21 ' A' ' 29' ' ' THR . . . -98.61 148.39 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.91 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 p -116.17 118.23 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.602 . . . . 15.0 110.78 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.594 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 9.3 mm100 -117.59 110.4 17.87 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.749 0.277 . . . . 15.0 111.749 -175.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.763 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 18.6 m95 -69.93 -38.47 76.23 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 122.074 0.94 . . . . 15.0 108.855 171.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.596 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 5.2 pt-20 -88.16 157.42 18.83 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 113.749 -1.568 . . . . 15.0 108.119 -177.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -69.68 135.77 88.06 Favored Pre-proline 0 N--CA 1.466 0.331 0 N-CA-C 112.8 0.667 . . . . 15.0 112.8 -163.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -62.36 -29.96 80.14 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.298 2.666 . . . . 15.0 113.155 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 p -107.68 5.56 26.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.798 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.917 -0.935 . . . . 15.0 112.073 -178.476 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 108.473 -0.936 . . . . 15.0 108.473 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.33 89.48 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 108.301 -1.0 . . . . 15.0 108.301 166.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' SEP . . . . . 0.424 ' O3P' ' HD3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.763 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 9.9 Cg_exo -77.77 141.81 19.68 Favored 'Trans proline' 0 C--N 1.302 -1.909 1 C-N-CA 126.684 4.922 . . . . 15.0 114.458 -176.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 56.1 Cg_endo -71.55 138.47 32.4 Favored 'Trans proline' 0 C--N 1.302 -1.892 0 C-N-CA 124.51 3.473 . . . . 15.0 109.829 157.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' LEU . . . . . 0.646 HD13 ' H ' ' B' ' 213' ' ' LEU . 1.8 mp -74.64 138.56 73.93 Favored Pre-proline 0 CA--C 1.51 -0.582 0 CA-C-O 121.643 0.735 . . . . 15.0 109.217 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' PRO . . . . . 0.596 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 31.4 Cg_exo -55.44 -9.87 2.89 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 125.174 3.916 . . . . 15.0 114.405 -172.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' PHE . . . . . 0.404 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 44.2 m-85 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.727 -0.654 . . . . 15.0 110.42 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.649 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 74.7 m95 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.996 0.427 . . . . 15.0 110.426 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -104.56 150.02 24.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.045 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -97.54 113.11 24.75 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.856 0.836 . . . . 15.0 109.816 172.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -125.66 150.61 47.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.164 -1.38 . . . . 15.0 109.241 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.4 mtt -89.33 124.1 34.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.609 0.719 . . . . 15.0 110.99 -173.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.657 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 25.9 p -90.17 150.07 22.16 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.02 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -69.62 -57.49 5.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.009 -1.45 . . . . 15.0 113.643 -165.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.8 p -69.62 -53.96 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.134 0.791 . . . . 15.0 113.134 -166.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.592 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 38.5 t -89.74 -10.2 46.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.237 . . . . 15.0 111.373 -175.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 57.2 18.4 Favored Glycine 0 C--N 1.333 0.389 0 N-CA-C 110.036 -1.226 . . . . 15.0 110.036 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -121.94 150.18 42.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.096 -0.552 . . . . 15.0 110.478 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 m -89.47 95.62 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.733 0.778 . . . . 15.0 110.158 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.657 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 14.0 p90 -99.55 150.37 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.977 -1.011 . . . . 15.0 109.997 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.477 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 45.7 m-85 -89.66 115.32 26.95 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.556 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.683 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 44.2 t80 -110.91 128.07 55.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.671 ' OD1' HG12 ' A' ' 28' ' ' ILE . 26.6 t30 -122.76 124.16 42.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.592 -0.276 . . . . 15.0 110.654 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.683 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.4 p80 -97.58 -3.66 39.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.673 0.62 . . . . 15.0 112.673 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.671 HG12 ' OD1' ' A' ' 26' ' ' ASN . 23.6 pt -79.73 -41.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.534 -0.866 . . . . 15.0 109.144 174.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 m -90.29 -17.6 27.11 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.656 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 t30 67.58 18.09 9.95 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.763 0.792 . . . . 15.0 109.583 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.06 150.1 20.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.613 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 t -132.32 125.98 32.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.217 -0.447 . . . . 15.0 109.948 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 46.5 mt-30 -132.06 112.17 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.924 -175.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.592 ' HZ3' ' HB3' ' A' ' 19' ' ' SER . 13.2 m95 -69.67 -37.95 76.89 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 122.044 0.926 . . . . 15.0 108.839 169.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 1.3 pt-20 -80.12 156.25 27.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.824 -1.535 . . . . 15.0 107.776 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -69.75 125.96 92.27 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.408 . . . . 15.0 111.52 -167.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 C--N 1.352 0.711 0 C-N-CA 123.921 3.081 . . . . 15.0 113.457 -175.494 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.6 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.982 -0.377 . . . . 15.0 109.982 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.87 150.17 22.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.613 0.721 . . . . 15.0 111.385 -171.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.68 ' CE ' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -89.89 104.25 16.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.325 -0.852 . . . . 15.0 110.466 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.547 ' HD3' ' H ' ' A' ' 15' ' ' MET . 17.1 tpp180 -124.56 150.24 46.11 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.162 -1.381 . . . . 15.0 108.292 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.547 ' H ' ' HD3' ' A' ' 14' ' ' ARG . 2.0 mpt? -89.52 130.66 35.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.432 0.634 . . . . 15.0 110.94 -171.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.791 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 82.6 p -89.89 135.36 33.68 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.001 -0.999 . . . . 15.0 109.97 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -74.89 -31.07 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.535 -165.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.545 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 38.5 t -78.02 -64.79 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.21 -175.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 m -87.04 -9.97 54.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.314 0.486 . . . . 15.0 112.314 -173.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.92 54.38 25.2 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.161 -1.176 . . . . 15.0 110.161 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 4.8 mmp_? -131.6 150.8 52.02 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 114.935 -0.632 . . . . 15.0 110.619 -168.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.68 ' HB ' ' CE ' ' A' ' 13' ' ' LYS . 2.9 m -88.95 94.49 4.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 122.486 1.136 . . . . 15.0 110.406 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 9.1 p90 -89.83 150.57 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 113.863 -1.517 . . . . 15.0 108.952 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -89.24 110.34 21.12 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.154 0.502 . . . . 15.0 109.648 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.587 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 38.5 t80 -108.92 130.71 55.45 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.583 -0.735 . . . . 15.0 109.608 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.585 ' CG ' HG12 ' A' ' 28' ' ' ILE . 40.8 t-20 -129.65 127.0 39.68 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.5 -0.48 . . . . 15.0 110.155 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.587 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.9 p80 -91.16 0.48 57.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.585 HG12 ' CG ' ' A' ' 26' ' ' ASN . 17.3 pt -75.87 -42.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 108.937 -0.764 . . . . 15.0 108.937 171.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.525 ' N ' HG13 ' A' ' 28' ' ' ILE . 9.4 p -90.36 -20.76 22.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.388 -0.824 . . . . 15.0 111.398 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 71.7 13.09 6.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.123 0.963 . . . . 15.0 109.212 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 141.04 29.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.277 -0.874 . . . . 15.0 111.249 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -120.17 109.49 15.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.551 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.559 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 36.0 mt-30 -123.5 106.06 10.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.392 0.515 . . . . 15.0 112.392 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.791 ' CZ2' ' HB2' ' A' ' 16' ' ' SER . 7.1 m0 -74.57 -27.22 60.4 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.113 -1.069 . . . . 15.0 108.113 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -95.1 147.71 23.14 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.731 -1.577 . . . . 15.0 106.933 178.218 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.1 mpp_? -69.7 126.24 92.43 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.873 0.694 . . . . 15.0 112.873 -162.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 67.6 Cg_exo . . . . . 0 C--N 1.354 0.84 0 C-N-CA 124.075 3.183 . . . . 15.0 112.826 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.712 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 71.3 m95 . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 121.184 0.516 . . . . 15.0 110.295 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -96.24 150.12 20.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.3 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 1.3 mmpt? -93.41 103.42 15.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.437 0.637 . . . . 15.0 110.48 176.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -120.28 150.2 41.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.579 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.5 ptp -89.74 130.24 36.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.713 0.768 . . . . 15.0 110.839 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 23.2 p -89.91 131.75 35.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.876 -1.056 . . . . 15.0 109.851 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 17' ' ' ARG . 48.4 ttt-85 -69.97 -25.49 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.25 -0.886 . . . . 15.0 113.048 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.583 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 15.3 m -69.81 -70.17 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.732 0.301 . . . . 15.0 111.392 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 m -90.03 -9.89 46.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.679 0.251 . . . . 15.0 111.679 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.18 50.72 21.06 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.85 -0.9 . . . . 15.0 110.85 -174.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.514 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 5.0 mmp_? -122.87 150.48 42.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.47 -0.365 . . . . 15.0 110.805 -172.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.407 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -89.2 91.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.809 0.814 . . . . 15.0 110.873 -176.139 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 17.1 p90 -90.03 150.8 21.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.185 -1.37 . . . . 15.0 109.369 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.66 111.59 22.59 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.196 0.522 . . . . 15.0 109.672 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.609 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 16.1 t80 -97.59 119.41 36.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.019 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.783 HD21 HG12 ' A' ' 28' ' ' ILE . 21.7 t-20 -108.15 135.15 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 122.219 -0.301 . . . . 15.0 110.462 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.609 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.8 p80 -111.84 5.11 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.783 HG12 HD21 ' A' ' 26' ' ' ASN . 36.2 pt -81.93 -41.34 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 119.573 -0.851 . . . . 15.0 108.757 172.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 m -90.13 -22.81 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.675 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.6 t30 73.81 25.96 1.89 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.095 -0.957 . . . . 15.0 109.849 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 136.74 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.261 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.0 m -106.09 114.73 29.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.848 -0.615 . . . . 15.0 110.243 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.411 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 17.3 mm-40 -122.24 124.06 42.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.904 0.705 . . . . 15.0 112.904 -171.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.583 ' HH2' ' HB2' ' A' ' 18' ' ' SER . 21.4 m95 -80.13 -56.47 4.2 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.862 0.839 . . . . 15.0 109.459 170.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.82 159.21 34.71 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.895 -1.502 . . . . 15.0 108.479 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -69.56 117.03 49.04 Favored Pre-proline 0 N--CA 1.466 0.363 0 N-CA-C 112.408 0.522 . . . . 15.0 112.408 -163.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo . . . . . 0 C--N 1.349 0.554 0 C-N-CA 123.888 3.059 . . . . 15.0 113.296 -178.131 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.657 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 38.5 m95 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 121.344 0.592 . . . . 15.0 110.554 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -89.69 142.24 27.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.715 -173.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -89.94 94.93 10.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.857 0.837 . . . . 15.0 110.01 170.659 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -116.45 150.48 37.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.095 -1.411 . . . . 15.0 109.097 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -89.38 136.73 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.476 0.655 . . . . 15.0 110.454 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.601 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 16.1 m -89.87 134.86 33.97 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.659 -1.155 . . . . 15.0 109.028 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 17' ' ' ARG . 42.3 ttt-85 -69.5 -70.08 0.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.82 1.325 . . . . 15.0 113.269 -160.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 m -71.55 -42.02 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -171.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 t -90.27 -15.02 32.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.448 0.536 . . . . 15.0 112.448 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.08 6.33 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.353 -0.927 . . . . 15.0 112.152 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.577 ' H ' ' HB2' ' A' ' 16' ' ' SER . 90.2 mtt180 -124.91 150.33 46.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 122.75 -0.264 . . . . 15.0 111.211 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.701 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 2.5 m -89.47 89.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.281 -0.887 . . . . 15.0 110.469 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.666 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 8.6 p90 -93.49 148.91 21.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 15.0 109.776 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.401 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 73.4 m-85 -91.55 108.56 19.98 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.865 0.364 . . . . 15.0 110.461 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.652 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 8.5 t80 -93.68 119.22 32.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.727 0.299 . . . . 15.0 110.202 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.866 HD21 HG12 ' A' ' 28' ' ' ILE . 18.8 t-20 -105.37 132.67 51.27 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 122.005 -0.434 . . . . 15.0 110.399 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.652 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.4 p80 -108.76 -2.35 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.866 HG12 HD21 ' A' ' 26' ' ' ASN . 49.4 pt -75.56 -44.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 119.347 -0.941 . . . . 15.0 109.081 174.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 28' ' ' ILE . 8.4 m -90.32 -14.17 33.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.403 170.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 64.6 t30 68.99 22.82 6.84 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.752 0.787 . . . . 15.0 109.985 -177.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.18 125.14 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.111 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.9 m -95.52 109.62 21.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.07 -0.513 . . . . 15.0 110.293 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.657 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 45.2 mt-30 -113.35 141.0 47.57 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 120.954 0.407 . . . . 15.0 111.468 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.666 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 13.6 m0 -104.85 -27.85 11.49 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 122.501 1.144 . . . . 15.0 108.162 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -83.21 153.66 24.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 112.636 -2.075 . . . . 15.0 108.062 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' HD2' HH11 ' A' ' 36' ' ' ARG . 29.3 ttm180 -69.66 122.67 86.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 15.0 111.228 -168.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo . . . . . 0 C--N 1.345 0.368 0 C-N-CA 123.863 3.042 . . . . 15.0 114.305 -170.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.601 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 15.9 m95 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.76 0.314 . . . . 15.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.813 ' HG2' ' O ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.84 146.45 24.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.298 0.571 . . . . 15.0 111.487 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.773 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 42.6 mmtt -89.79 105.74 18.0 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.686 0.755 . . . . 15.0 109.046 172.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -117.71 150.0 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.576 -1.193 . . . . 15.0 108.94 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.51 134.15 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.541 0.686 . . . . 15.0 112.139 -168.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.56 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 15.0 m -89.78 129.08 36.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.549 -1.205 . . . . 15.0 108.041 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -69.56 -70.25 0.29 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.121 0.888 . . . . 15.0 112.702 -164.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.0 p -70.19 -30.38 67.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.485 0.55 . . . . 15.0 112.485 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 p -90.18 -20.61 22.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.567 0.58 . . . . 15.0 112.567 -175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.07 48.37 76.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.562 -0.827 . . . . 15.0 111.324 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.466 ' H ' ' HB2' ' A' ' 16' ' ' SER . 36.4 mtp180 -117.0 150.12 39.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 120.7 0.285 . . . . 15.0 111.414 -173.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.719 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -89.89 90.21 3.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.445 -0.502 . . . . 15.0 110.76 173.587 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.7 p90 -89.89 150.18 22.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.773 ' CE1' ' HE2' ' A' ' 13' ' ' LYS . 57.4 m-85 -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.261 0.553 . . . . 15.0 110.531 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.813 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.6 t80 -100.58 143.37 30.83 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.372 -1.344 . . . . 15.0 107.372 173.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.639 ' OD1' HG12 ' A' ' 28' ' ' ILE . 1.2 t-20 -150.11 115.22 5.39 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.942 -0.703 . . . . 15.0 110.747 170.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.76 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 2.8 p80 -84.43 3.27 36.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -175.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.639 HG12 ' OD1' ' A' ' 26' ' ' ASN . 17.1 pt -70.4 -40.61 77.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.352 -0.981 . . . . 15.0 108.352 170.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 28' ' ' ILE . 18.6 m -90.23 -21.15 22.27 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.655 169.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.76 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.7 t-20 72.47 14.62 5.26 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.009 -0.996 . . . . 15.0 109.611 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 150.04 21.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.909 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 t -117.71 107.99 14.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.852 -0.796 . . . . 15.0 108.852 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -124.23 100.59 6.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.458 0.647 . . . . 15.0 112.461 -169.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.584 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 10.0 m0 -70.08 -40.11 75.21 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 107.873 -1.158 . . . . 15.0 107.873 166.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.05 143.98 52.32 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 112.801 -2.0 . . . . 15.0 108.083 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -69.74 126.63 92.64 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -163.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 C--N 1.357 0.994 0 C-N-CA 123.162 2.575 . . . . 15.0 111.842 178.639 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.537 ' CE3' ' HB3' ' A' ' 24' ' ' TYR . 83.8 m95 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.972 0.415 . . . . 15.0 109.922 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -114.65 139.84 49.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 15.0 109.529 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 2.0 mtpm? -89.73 98.16 11.61 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 122.262 1.03 . . . . 15.0 109.707 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.03 150.46 25.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.259 -1.792 . . . . 15.0 109.277 -170.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.4 mtm -89.51 125.93 35.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.985 0.422 . . . . 15.0 110.333 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.5 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 34.7 p -89.81 131.44 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.229 -178.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -69.93 -37.41 75.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.413 -1.267 . . . . 15.0 112.881 -169.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -69.9 -63.99 0.97 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 112.239 0.459 . . . . 15.0 112.239 -171.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.58 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 8.2 t -89.98 -10.31 45.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.78 59.89 5.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.536 -0.84 . . . . 15.0 111.314 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -136.2 150.16 48.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.704 0.288 . . . . 15.0 110.549 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 m -89.42 101.23 11.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.694 0.759 . . . . 15.0 110.26 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.936 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 15.2 p90 -103.82 150.47 24.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.744 -1.116 . . . . 15.0 109.782 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.537 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 59.9 m-85 -89.09 101.05 13.71 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.356 0.598 . . . . 15.0 109.691 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.75 ' HE1' ' HD2' ' A' ' 27' ' ' HIS . 18.9 t80 -92.01 120.46 32.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.289 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.482 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.0 p30 -114.14 127.15 55.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.301 -0.56 . . . . 15.0 109.627 178.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.75 ' HD2' ' HE1' ' A' ' 25' ' ' PHE . 2.2 p80 -101.7 8.98 41.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.681 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -72.1 -50.29 37.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.585 -1.265 . . . . 15.0 107.585 170.528 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 m -90.0 -19.24 24.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.647 -1.16 . . . . 15.0 110.072 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.5 t-20 74.63 16.99 3.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.867 0.841 . . . . 15.0 109.63 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.22 139.04 31.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.31 -0.859 . . . . 15.0 110.839 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -104.11 111.28 23.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -117.54 110.06 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.902 0.382 . . . . 15.0 111.951 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.936 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 14.3 m95 -69.93 -37.29 75.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.099 0.952 . . . . 15.0 109.041 170.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -74.9 148.41 40.13 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 113.395 -1.73 . . . . 15.0 108.497 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -69.51 129.38 91.57 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.588 -167.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo . . . . . 0 C--N 1.356 0.952 0 C-N-CA 123.83 3.02 . . . . 15.0 112.811 -176.172 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.725 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 75.2 m95 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.428 0.632 . . . . 15.0 109.658 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 4.0 mm-40 -89.93 147.71 23.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.742 -174.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -97.75 98.87 10.22 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.539 0.685 . . . . 15.0 109.646 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -115.52 150.59 36.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.864 -1.062 . . . . 15.0 109.869 -171.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -89.51 130.49 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.532 0.682 . . . . 15.0 109.724 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.718 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 m -89.76 124.26 34.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.733 -1.121 . . . . 15.0 110.753 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -69.93 -27.94 65.18 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 125.141 1.526 . . . . 15.0 113.189 -169.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.519 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 7.9 t -85.18 -68.27 0.74 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 111.462 -172.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.485 ' HB3' ' HG2' ' A' ' 21' ' ' ARG . 20.2 t -89.85 -9.82 47.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.819 0.303 . . . . 15.0 111.819 -172.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.12 60.19 3.17 Favored Glycine 0 C--O 1.227 -0.285 0 N-CA-C 110.413 -1.075 . . . . 15.0 110.413 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.574 ' H ' ' HB2' ' A' ' 16' ' ' SER . 22.3 mmt180 -124.74 150.96 45.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.346 -0.427 . . . . 15.0 112.039 -167.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.42 92.1 3.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.083 -1.081 . . . . 15.0 108.083 172.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' HD1' ' HG ' ' A' ' 16' ' ' SER . 9.3 p90 -95.84 143.88 26.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.238 0.542 . . . . 15.0 109.888 -175.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.523 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 59.4 m-85 -89.96 103.99 16.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.298 -0.865 . . . . 15.0 109.355 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.791 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 39.2 t80 -90.83 112.25 23.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.815 -0.439 . . . . 15.0 109.815 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.693 HD21 HG12 ' A' ' 28' ' ' ILE . 18.6 t-20 -104.28 125.94 50.96 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 122.165 -0.334 . . . . 15.0 110.443 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.791 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.0 p80 -106.37 14.82 26.86 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.102 0.779 . . . . 15.0 113.102 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.693 HG12 HD21 ' A' ' 26' ' ' ASN . 36.9 pt -83.01 -47.99 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 118.956 -1.097 . . . . 15.0 108.73 171.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.538 HG22 ' OD1' ' A' ' 26' ' ' ASN . 8.9 t -90.43 -11.25 40.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.97 170.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 60.17 60.14 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.895 0.855 . . . . 15.0 109.789 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.53 124.67 25.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.092 -0.958 . . . . 15.0 109.867 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -95.08 116.2 28.4 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.244 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.725 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 25.2 mm-40 -121.03 102.52 8.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 15.0 112.356 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.718 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.4 m0 -70.14 -42.14 72.94 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 107.762 -1.199 . . . . 15.0 107.762 169.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.29 154.0 42.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 112.706 -2.043 . . . . 15.0 108.151 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 30.2 ttt180 -69.82 127.66 92.38 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-O 120.665 0.269 . . . . 15.0 111.281 -165.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 51.7 Cg_exo . . . . . 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 15.0 111.603 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.739 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 52.9 m95 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 121.28 0.562 . . . . 15.0 109.905 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.28 150.49 23.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.876 -173.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HE3' ' HE1' ' A' ' 24' ' ' TYR . 15.7 mmtp -89.64 106.59 18.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.564 0.697 . . . . 15.0 110.354 176.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -128.46 147.59 50.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.811 -1.086 . . . . 15.0 108.555 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.7 ttp -91.32 139.19 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.161 0.505 . . . . 15.0 111.157 -176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.419 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 40.8 p -89.69 145.18 25.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.233 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.5 ttp85 -69.82 -70.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.449 -1.25 . . . . 15.0 113.834 -157.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -79.69 -19.06 49.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 15.0 111.913 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -24.69 20.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.293 -0.412 . . . . 15.0 112.095 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.79 45.92 95.23 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.244 -174.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -123.79 150.64 44.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.55 -0.325 . . . . 15.0 111.104 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 m -89.34 111.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.782 0.801 . . . . 15.0 110.32 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.675 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -113.47 150.63 32.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 15.0 109.494 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.739 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 51.8 m-85 -89.52 103.09 15.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.967 -0.383 . . . . 15.0 109.967 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.664 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.4 t80 -89.93 115.38 27.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.213 0.53 . . . . 15.0 109.975 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.589 HD21 ' HB ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -103.76 133.78 48.18 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.351 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.664 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 8.9 p80 -117.05 4.36 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.119 -0.632 . . . . 15.0 112.317 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.812 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.66 -44.64 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.561 -0.903 . . . . 15.0 108.561 172.288 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.589 ' HB ' HD21 ' A' ' 26' ' ' ASN . 5.2 m -90.3 -20.17 23.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.494 -0.775 . . . . 15.0 110.047 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 15.1 t30 64.44 60.11 0.95 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.48 1.133 . . . . 15.0 109.255 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.59 123.35 23.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.142 -1.39 . . . . 15.0 109.157 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -89.88 98.92 12.05 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.014 0.435 . . . . 15.0 109.939 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.8 mm100 -110.37 105.4 14.38 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 112.453 0.538 . . . . 15.0 112.453 -169.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.675 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 9.7 m0 -69.72 -38.46 76.9 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 107.738 -1.208 . . . . 15.0 107.738 169.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.62 119.1 16.37 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 113.018 -1.901 . . . . 15.0 108.199 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -69.93 148.37 96.26 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.709 . . . . 15.0 112.544 -165.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--N 1.349 0.59 0 C-N-CA 123.314 2.676 . . . . 15.0 112.303 178.317 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.751 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 72.9 m95 . . . . . 0 C--O 1.232 0.149 0 N-CA-C 109.964 -0.384 . . . . 15.0 109.964 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -103.69 150.7 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.849 -0.614 . . . . 15.0 110.849 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 15.0 mmtp -89.38 104.91 17.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.813 0.816 . . . . 15.0 110.068 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -120.68 143.63 48.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.519 -1.219 . . . . 15.0 108.881 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.6 mtt -89.71 136.49 33.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.449 0.643 . . . . 15.0 111.555 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.9 p -89.93 145.52 25.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.957 -1.02 . . . . 15.0 109.847 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.95 -69.71 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.865 1.353 . . . . 15.0 113.733 -162.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -76.4 -33.82 58.85 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.591 0.589 . . . . 15.0 112.591 -167.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -90.13 -13.76 35.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.736 -0.386 . . . . 15.0 111.372 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.14 57.74 18.23 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.08 -0.581 . . . . 15.0 111.981 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.04 150.26 51.39 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.348 0.118 . . . . 15.0 110.973 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.701 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.55 100.19 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.003 0.906 . . . . 15.0 110.759 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.664 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 24.2 p90 -99.47 150.48 22.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.55 -1.205 . . . . 15.0 108.647 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.751 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 54.3 m-85 -89.5 108.29 19.57 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.289 0.566 . . . . 15.0 109.861 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.738 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 41.7 t80 -93.04 117.53 30.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.375 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.645 HD21 HG12 ' A' ' 28' ' ' ILE . 16.4 t-20 -113.98 113.92 25.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.179 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.738 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.9 p80 -94.61 2.93 55.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.252 0.834 . . . . 15.0 113.252 -175.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.645 HG12 HD21 ' A' ' 26' ' ' ASN . 46.0 pt -76.84 -40.55 31.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.033 -1.067 . . . . 15.0 108.666 171.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 m -90.34 -18.8 24.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.703 170.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 71.48 11.54 6.57 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.882 0.849 . . . . 15.0 109.901 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.6 137.26 32.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.764 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -109.96 111.81 23.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.839 -0.619 . . . . 15.0 110.109 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.617 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.6 mm-40 -114.64 111.62 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.173 0.511 . . . . 15.0 112.373 -171.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.664 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 14.9 m95 -70.2 -39.96 74.87 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.775 0.798 . . . . 15.0 109.86 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -83.8 159.99 21.3 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.5 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -69.96 123.77 89.36 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 15.0 112.198 -165.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo . . . . . 0 C--N 1.35 0.627 0 C-N-CA 123.828 3.019 . . . . 15.0 113.553 -176.72 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.731 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 45.9 m95 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 121.186 0.517 . . . . 15.0 110.881 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -89.92 145.8 24.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.358 -0.837 . . . . 15.0 109.009 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.707 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.4 mtpt -94.29 99.77 11.94 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.754 0.788 . . . . 15.0 109.572 171.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.606 ' HE ' ' HA ' ' A' ' 14' ' ' ARG . 2.9 tpm_? -103.94 150.43 24.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.382 -1.281 . . . . 15.0 109.729 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -89.52 126.98 35.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.495 0.664 . . . . 15.0 110.518 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.43 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.5 p -89.81 149.33 22.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.517 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.62 -47.7 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.936 1.398 . . . . 15.0 113.715 -162.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.8 m -69.8 -65.52 0.71 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -89.98 -9.98 46.7 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.2 57.61 6.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.373 -0.918 . . . . 15.0 110.888 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 21' ' ' ARG . 18.1 mtp180 -122.38 150.29 42.63 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.971 0.36 . . . . 15.0 111.971 -170.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.707 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -89.3 94.02 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.913 0.863 . . . . 15.0 110.877 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 26.7 p90 -90.06 150.59 22.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.099 -1.409 . . . . 15.0 109.048 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.731 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 95.4 m-85 -89.19 112.43 23.45 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.445 -0.576 . . . . 15.0 109.445 -176.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.695 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 28.4 t80 -105.3 122.12 45.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.152 -174.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.558 HD21 HG12 ' A' ' 28' ' ' ILE . 4.5 t-20 -112.52 118.16 34.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.75 -0.594 . . . . 15.0 110.482 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.695 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.8 p80 -93.83 -7.89 42.03 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.511 0.93 . . . . 15.0 113.511 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.558 HG12 HD21 ' A' ' 26' ' ' ASN . 36.1 pt -71.06 -42.65 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 119.337 -0.945 . . . . 15.0 109.053 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.528 ' N ' HG13 ' A' ' 28' ' ' ILE . 30.9 p -90.23 -18.43 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.416 174.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.1 t30 70.85 16.49 6.61 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.277 -0.874 . . . . 15.0 109.614 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.04 149.94 22.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.616 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -129.09 121.65 28.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.408 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 72.5 mt-30 -121.99 111.83 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.424 0.527 . . . . 15.0 112.424 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.472 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 9.9 m95 -70.44 -31.08 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.004 0.907 . . . . 15.0 109.109 170.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -91.96 154.89 18.52 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.591 -1.64 . . . . 15.0 107.934 179.062 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -69.99 141.19 89.13 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.283 0.475 . . . . 15.0 112.283 -160.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 28.0 Cg_exo . . . . . 0 C--N 1.356 0.927 0 C-N-CA 123.231 2.621 . . . . 15.0 112.887 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.854 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 54.2 m95 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.951 0.405 . . . . 15.0 111.328 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -106.85 144.07 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.952 -0.759 . . . . 15.0 108.952 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -89.9 91.86 8.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.352 1.072 . . . . 15.0 110.728 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -97.05 150.4 20.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.26 -1.791 . . . . 15.0 108.802 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.0 mtt -89.46 142.79 27.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.532 0.682 . . . . 15.0 112.052 -170.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.523 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 16.3 m -89.55 132.3 35.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.689 -1.141 . . . . 15.0 109.108 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -70.23 -70.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.977 1.423 . . . . 15.0 113.564 -159.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.9 m -88.08 -14.42 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.183 0.516 . . . . 15.0 111.195 -172.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -90.33 -22.96 21.28 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.993 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 57.37 18.11 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.709 -0.757 . . . . 15.0 111.388 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 21' ' ' ARG . 22.1 ttt180 -136.39 150.78 48.96 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.97 -0.115 . . . . 15.0 110.92 -171.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.61 122.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 O-C-N 121.532 -0.73 . . . . 15.0 110.863 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.6 p90 -126.52 150.31 48.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.073 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.854 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 77.2 m-85 -89.98 109.32 20.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 15.0 110.44 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.642 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 27.9 t80 -100.62 119.66 38.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.026 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.698 ' OD1' HG12 ' A' ' 28' ' ' ILE . 51.0 t-20 -110.66 126.69 54.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.642 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.7 p80 -107.12 5.43 27.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.227 0.825 . . . . 15.0 113.227 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.698 HG12 ' OD1' ' A' ' 26' ' ' ASN . 24.1 pt -78.35 -40.37 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 107.804 -1.184 . . . . 15.0 107.804 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.501 ' N ' HG13 ' A' ' 28' ' ' ILE . 39.5 p -90.32 -20.64 22.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.215 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 12.6 t-20 68.51 22.61 7.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.618 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.6 129.77 49.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 15.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.3 m -96.56 118.37 32.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.793 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.678 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 12.7 mm100 -124.29 113.33 18.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 15.0 111.451 -174.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 13.0 m0 -84.7 -35.06 22.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.188 0.994 . . . . 15.0 109.082 175.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -82.64 149.38 27.43 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 113.621 -1.627 . . . . 15.0 106.854 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -69.84 132.22 88.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.515 0.561 . . . . 15.0 112.515 -159.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 9.6 Cg_endo . . . . . 0 C--N 1.356 0.972 0 C-N-CA 123.735 2.957 . . . . 15.0 112.824 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.912 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 60.2 m95 . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.093 0.473 . . . . 15.0 110.569 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.99 137.59 32.21 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.678 -0.692 . . . . 15.0 109.197 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 9.5 mtpm? -90.0 92.27 8.92 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 122.491 1.139 . . . . 15.0 110.829 -178.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -95.15 150.68 19.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 112.579 -2.1 . . . . 15.0 108.442 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.489 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 1.6 mpt? -89.17 140.91 28.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.716 0.77 . . . . 15.0 110.682 -173.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.7 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 7.6 m -89.67 135.81 33.4 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.254 -1.339 . . . . 15.0 109.456 -174.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HD3' HH11 ' A' ' 17' ' ' ARG . 41.0 ttt-85 -69.4 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.934 1.396 . . . . 15.0 113.08 -163.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -71.51 -41.02 69.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -171.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 t -90.12 -11.62 40.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.57 0.581 . . . . 15.0 112.57 -172.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.74 60.3 7.95 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.271 -0.966 . . . . 15.0 111.607 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' H ' ' HB2' ' A' ' 16' ' ' SER . 16.3 mmm180 -124.22 150.47 45.22 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.928 -0.136 . . . . 15.0 110.994 -171.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.406 ' HB ' ' HZ3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -89.81 90.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 O-C-N 121.486 -0.759 . . . . 15.0 110.86 173.019 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 8.7 p90 -95.63 150.23 20.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 15.0 110.733 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.601 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 69.4 m-85 -89.73 107.4 19.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.007 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.502 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 63.6 t80 -99.86 120.15 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.858 0.361 . . . . 15.0 110.51 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.59 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.4 t30 -121.17 120.25 34.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.421 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.477 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 1.8 p80 -94.59 -2.04 52.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.59 HG12 ' OD1' ' A' ' 26' ' ' ASN . 16.5 pt -74.41 -39.32 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.202 -0.999 . . . . 15.0 108.416 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 28' ' ' ILE . 57.2 p -90.37 -19.91 23.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.662 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t30 70.17 16.33 7.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.814 0.816 . . . . 15.0 109.875 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.05 144.3 30.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.513 -0.767 . . . . 15.0 111.032 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 p -115.55 108.33 16.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.779 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.912 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 1.7 mp0 -111.21 100.34 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.7 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.0 m0 -69.77 -36.77 76.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.957 -1.497 . . . . 15.0 106.957 165.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 13.6 pt-20 -73.35 142.98 47.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 112.253 -2.249 . . . . 15.0 108.143 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -69.87 133.3 88.3 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.887 -0.508 . . . . 15.0 112.024 -168.813 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 52.7 Cg_exo . . . . . 0 C--N 1.355 0.901 0 C-N-CA 123.859 3.039 . . . . 15.0 113.806 -175.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.605 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 75.2 m95 . . . . . 0 C--O 1.234 0.246 0 CA-C-O 121.168 0.509 . . . . 15.0 110.467 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -98.72 147.15 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.811 -176.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.731 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 13.1 mmmm -89.95 99.3 12.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.095 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.554 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 40.1 ttm180 -113.42 150.19 33.1 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.383 -0.826 . . . . 15.0 109.194 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 ttm -89.68 137.33 32.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.291 0.567 . . . . 15.0 110.361 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 3.0 m -89.66 139.29 30.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.427 -0.806 . . . . 15.0 109.301 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 17' ' ' ARG . 48.6 ttt180 -69.82 -68.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.963 -165.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.427 0.528 . . . . 15.0 112.427 -167.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 t -90.09 -19.79 23.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.883 0.327 . . . . 15.0 111.883 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.71 45.26 94.88 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.586 -0.816 . . . . 15.0 111.991 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -142.42 150.5 40.7 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.28 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 118.95 0.796 . . . . 15.0 111.558 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 12.1 p90 -129.83 150.65 51.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.522 -1.217 . . . . 15.0 108.604 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.731 ' CE2' ' HD3' ' A' ' 13' ' ' LYS . 71.9 m-85 -89.59 114.6 26.2 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.492 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 38.6 t80 -103.19 127.79 50.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.022 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.692 HD21 HG12 ' A' ' 28' ' ' ILE . 20.7 t-20 -124.77 128.0 48.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.165 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 7.4 p-80 -106.75 10.22 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.999 -0.68 . . . . 15.0 112.666 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.692 HG12 HD21 ' A' ' 26' ' ' ASN . 23.9 pt -80.56 -41.51 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 119.342 -0.943 . . . . 15.0 108.843 171.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.592 HG22 ' OD1' ' A' ' 26' ' ' ASN . 13.4 t -90.51 -16.56 28.65 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.51 -0.313 . . . . 15.0 110.424 166.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.596 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 13.6 t-20 58.5 60.16 2.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.911 0.862 . . . . 15.0 109.969 -176.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.9 150.05 45.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.789 -1.096 . . . . 15.0 109.527 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -115.79 123.23 47.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.362 -0.381 . . . . 15.0 110.591 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.465 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 31.1 mt-30 -120.22 108.64 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 15.0 112.238 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.56 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 17.0 m95 -69.8 -46.16 66.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 122.208 1.004 . . . . 15.0 108.378 168.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -70.69 144.3 51.07 Favored 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 113.51 -1.677 . . . . 15.0 107.739 176.056 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -69.87 121.19 81.94 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -166.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--N 1.349 0.597 0 C-N-CA 123.415 2.743 . . . . 15.0 111.064 171.096 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.924 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 68.6 m95 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.87 0.367 . . . . 15.0 110.392 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 89.7 mt-10 -89.97 146.13 24.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.84 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.786 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 36.1 mmtt -89.67 90.49 8.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.0 -0.741 . . . . 15.0 109.0 170.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -104.03 150.31 24.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.67 -1.15 . . . . 15.0 109.091 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.2 mtp -89.59 130.57 35.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.335 0.588 . . . . 15.0 110.506 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.1 p -89.95 142.87 27.29 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.129 -0.941 . . . . 15.0 108.856 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -69.37 -69.94 0.31 Allowed 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.903 1.377 . . . . 15.0 112.608 -163.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 p -70.01 -25.9 63.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.357 0.503 . . . . 15.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 t -90.11 -25.25 20.83 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.726 -0.39 . . . . 15.0 111.636 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.48 42.24 99.72 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.028 -0.606 . . . . 15.0 111.835 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -135.25 150.27 50.03 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.899 -0.177 . . . . 15.0 111.159 -170.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.786 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.7 m -89.54 107.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.268 1.032 . . . . 15.0 112.253 -173.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -100.05 150.81 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 15.0 109.226 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.924 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 11.6 m-85 -89.03 106.94 18.76 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.291 0.567 . . . . 15.0 110.326 -176.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.752 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 26.2 t80 -96.91 119.23 34.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.411 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.678 ' OD1' HG12 ' A' ' 28' ' ' ILE . 31.8 t30 -112.92 117.19 31.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.649 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.752 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.3 p80 -96.45 4.31 52.22 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.678 HG12 ' OD1' ' A' ' 26' ' ' ASN . 36.8 pt -77.81 -42.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 118.914 -1.114 . . . . 15.0 109.034 171.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.405 ' N ' HG13 ' A' ' 28' ' ' ILE . 14.6 t -90.4 -18.74 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.2 -0.454 . . . . 15.0 110.378 172.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 t30 65.93 60.26 0.68 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.956 0.884 . . . . 15.0 110.087 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.97 147.67 39.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 15.0 110.252 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -112.0 107.79 16.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.342 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.668 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.9 mm100 -113.6 114.43 26.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.405 0.622 . . . . 15.0 112.18 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -75.25 -23.96 57.56 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.271 1.034 . . . . 15.0 109.155 169.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -92.04 140.67 29.42 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 113.509 -1.678 . . . . 15.0 108.292 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.607 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -70.07 134.65 87.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 15.0 111.674 -168.399 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 C--N 1.344 0.325 0 C-N-CA 123.063 2.508 . . . . 15.0 111.512 179.188 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.804 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 70.3 m95 . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 121.283 0.563 . . . . 15.0 109.601 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.56 150.59 26.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.113 -172.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.968 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 17.4 mmtp -89.37 102.68 15.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.542 0.687 . . . . 15.0 109.303 172.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -113.81 150.6 33.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.406 -1.27 . . . . 15.0 109.215 -175.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 ttm -89.33 130.76 35.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 15.0 110.957 -170.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.551 ' HB2' ' H ' ' A' ' 21' ' ' ARG . 8.6 m -89.84 129.62 36.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.758 -1.11 . . . . 15.0 109.404 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -69.76 -44.09 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 15.0 112.944 -167.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 p -70.05 -70.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.249 0.463 . . . . 15.0 112.249 -172.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m -86.24 -9.68 56.05 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.215 0.45 . . . . 15.0 112.215 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 60.01 4.71 Favored Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.489 -0.862 . . . . 15.0 111.168 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.551 ' H ' ' HB2' ' A' ' 16' ' ' SER . 5.5 mmp_? -120.59 150.18 41.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.673 -0.264 . . . . 15.0 111.428 -170.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.968 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.6 93.52 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.517 0.675 . . . . 15.0 110.337 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -96.0 150.55 20.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.32 -0.854 . . . . 15.0 109.698 -177.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.804 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 1.7 m-85 -89.42 107.21 18.94 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.597 0.713 . . . . 15.0 109.87 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.676 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 48.7 t80 -99.49 122.34 42.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.854 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.548 HD21 HG12 ' A' ' 28' ' ' ILE . 17.8 t-20 -114.58 123.9 50.52 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.676 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.8 p80 -105.42 15.52 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.967 0.729 . . . . 15.0 112.967 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.548 HG12 HD21 ' A' ' 26' ' ' ASN . 22.3 pt -85.44 -45.61 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.274 -1.009 . . . . 15.0 108.274 169.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' HG13 ' A' ' 28' ' ' ILE . 62.1 p -90.33 -18.28 25.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.474 171.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 t30 75.73 20.12 1.88 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 124.025 0.828 . . . . 15.0 109.758 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.96 134.81 34.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.186 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -110.47 115.4 29.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.683 -0.689 . . . . 15.0 109.739 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HG3' ' HH2' ' A' ' 11' ' ' TRP . 27.9 mm-40 -124.49 111.17 15.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.806 0.298 . . . . 15.0 111.806 -173.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.6 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 11.6 m95 -70.77 -30.9 67.52 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.957 0.884 . . . . 15.0 109.236 171.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -90.71 148.88 22.3 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.994 -1.457 . . . . 15.0 108.262 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -69.92 134.35 87.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 111.631 0.234 . . . . 15.0 111.631 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo . . . . . 0 C--N 1.355 0.879 0 C-N-CA 123.568 2.845 . . . . 15.0 111.606 -179.802 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.724 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 47.4 m95 . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.359 0.599 . . . . 15.0 109.91 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -92.29 145.98 24.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.349 -0.841 . . . . 15.0 110.338 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.828 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 1.5 mmpt? -89.96 96.08 10.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.766 0.793 . . . . 15.0 109.694 174.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -106.69 150.53 26.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.356 -1.293 . . . . 15.0 108.866 -174.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.6 mtp -89.59 135.31 33.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.991 0.901 . . . . 15.0 111.96 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.625 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 6.0 m -89.77 139.49 30.52 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 113.987 -1.46 . . . . 15.0 108.797 -178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -69.8 -69.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 15.0 112.931 -164.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -69.97 -36.49 75.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.084 0.402 . . . . 15.0 112.084 -168.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 m -90.29 -17.45 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.72 59.57 9.98 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.578 -0.82 . . . . 15.0 111.797 -174.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -134.21 150.32 51.05 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 122.905 -0.173 . . . . 15.0 111.092 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.828 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -89.46 107.56 18.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.707 0.765 . . . . 15.0 111.744 -176.295 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' HD2' ' OG ' ' A' ' 16' ' ' SER . 22.9 p90 -103.78 150.76 23.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.975 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.724 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 83.1 m-85 -89.21 111.3 22.07 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.791 -0.641 . . . . 15.0 109.706 -176.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.641 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 69.8 t80 -104.17 125.69 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.306 -0.861 . . . . 15.0 110.122 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' HG12 ' A' ' 28' ' ' ILE . 4.1 t-20 -124.56 107.14 10.73 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.641 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.5 p80 -85.87 -3.92 59.04 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.899 0.703 . . . . 15.0 112.899 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.557 HG12 ' ND2' ' A' ' 26' ' ' ASN . 25.5 pt -69.15 -46.52 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.4 -0.92 . . . . 15.0 109.187 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.557 ' N ' HG13 ' A' ' 28' ' ' ILE . 16.7 p -90.16 -12.07 39.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.123 172.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 62.04 60.13 1.56 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.494 -0.775 . . . . 15.0 109.944 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.58 148.86 51.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.459 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 p -125.9 119.15 27.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.053 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -135.86 108.88 7.66 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.694 0.628 . . . . 15.0 112.694 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.625 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 1.2 m0 -69.94 -28.33 65.48 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 107.081 -1.452 . . . . 15.0 107.081 170.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.63 150.48 34.62 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 112.647 -2.069 . . . . 15.0 108.499 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 36' ' ' ARG . 44.4 ttm180 -69.76 126.61 92.62 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.915 0.388 . . . . 15.0 111.894 -166.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 16.4 Cg_endo . . . . . 0 C--N 1.35 0.615 0 C-N-CA 123.491 2.794 . . . . 15.0 112.894 -178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.699 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 78.9 m95 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.54 0.686 . . . . 15.0 110.215 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.06 144.17 26.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.06 -0.973 . . . . 15.0 109.858 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -89.93 104.77 17.31 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.441 -0.578 . . . . 15.0 109.441 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.902 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.16 149.93 43.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.187 -174.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -89.53 128.08 35.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.132 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.659 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 54.9 p -89.93 132.85 35.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.65 -0.704 . . . . 15.0 110.494 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 17' ' ' ARG . 13.9 ttp85 -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.224 -1.353 . . . . 15.0 112.871 -167.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.667 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 4.3 m -70.27 -69.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.735 0.302 . . . . 15.0 111.497 -174.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -89.32 -10.09 48.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.966 0.358 . . . . 15.0 111.966 -172.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.47 53.62 16.27 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.253 -1.139 . . . . 15.0 110.253 -172.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -126.86 150.41 49.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.06 -0.57 . . . . 15.0 110.143 -168.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 m -89.14 110.25 21.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.851 0.834 . . . . 15.0 109.77 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.861 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 6.5 p90 -113.58 150.27 33.29 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.561 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.699 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 61.2 m-85 -89.64 114.99 26.69 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.074 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.9 t80 -100.89 111.71 23.98 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.118 -0.364 . . . . 15.0 110.399 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.685 ' OD1' HG12 ' A' ' 28' ' ' ILE . 30.4 t30 -108.46 121.12 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.783 0.325 . . . . 15.0 110.703 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 3.2 p80 -97.82 -4.17 37.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.04 0.755 . . . . 15.0 113.04 -175.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.685 HG12 ' OD1' ' A' ' 26' ' ' ASN . 40.6 pt -70.71 -42.27 77.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.237 -0.985 . . . . 15.0 109.201 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 31' ' ' ALA . 9.9 t -90.3 -15.26 31.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.277 -0.42 . . . . 15.0 109.943 168.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.66 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 2.7 t30 67.61 18.37 9.92 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.626 0.77 . . . . 15.0 110.417 -178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.731 ' H ' HG23 ' A' ' 29' ' ' THR . . . -100.6 125.26 46.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.478 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 p -89.88 126.18 35.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.3 mm-40 -128.49 110.12 12.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.631 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.861 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 9.6 m0 -75.04 -22.49 58.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.638 -1.245 . . . . 15.0 107.638 172.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -90.14 158.01 17.47 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 112.615 -2.084 . . . . 15.0 108.731 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 79.1 mtt180 -69.69 130.99 89.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.363 -0.211 . . . . 15.0 111.568 -168.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.6 Cg_exo . . . . . 0 C--N 1.349 0.58 0 C-N-CA 122.841 2.36 . . . . 15.0 113.12 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.552 ' HE3' ' CB ' ' A' ' 24' ' ' TYR . 45.8 m95 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.061 0.458 . . . . 15.0 110.386 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -89.77 142.65 27.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 15.0 110.326 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.86 97.71 11.35 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.61 -0.515 . . . . 15.0 109.61 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.522 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 44.2 ttm180 -116.85 150.23 38.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.642 -175.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.8 ttt -89.7 128.44 36.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 15.0 110.164 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.488 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 24.0 p -89.83 147.55 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.424 -0.807 . . . . 15.0 109.543 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -69.84 -70.44 0.29 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.21 -1.359 . . . . 15.0 113.581 -159.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.2 m -69.81 -37.77 76.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 15.0 112.482 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.71 -13.3 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.439 0.533 . . . . 15.0 112.439 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.65 51.24 59.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.758 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.587 ' HD2' ' HZ3' ' A' ' 34' ' ' TRP . 84.6 mtt180 -125.73 150.13 47.96 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.466 0.174 . . . . 15.0 111.23 -171.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 m -89.43 101.5 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.917 0.865 . . . . 15.0 110.877 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 19.1 p90 -104.58 150.29 24.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.886 -1.052 . . . . 15.0 109.701 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.552 ' CB ' ' HE3' ' A' ' 11' ' ' TRP . 38.2 m-85 -89.89 104.9 17.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.165 -0.471 . . . . 15.0 110.103 -177.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -89.96 108.92 20.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.673 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.7 t30 -102.35 116.35 32.45 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.083 -0.385 . . . . 15.0 110.643 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -93.98 -5.5 47.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.213 0.82 . . . . 15.0 113.213 -174.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.673 HG12 ' OD1' ' A' ' 26' ' ' ASN . 29.9 pt -73.02 -38.43 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 119.038 -1.065 . . . . 15.0 108.806 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -90.27 -18.45 25.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.053 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 66.3 t30 71.5 10.72 6.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.585 0.754 . . . . 15.0 109.935 -176.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.05 130.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 15.0 110.753 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.6 m -95.99 105.69 17.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.134 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.6 mm100 -108.8 149.68 28.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.046 0.451 . . . . 15.0 111.175 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 13.3 m95 -106.68 -31.98 8.21 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 122.008 0.909 . . . . 15.0 109.429 176.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -87.68 147.5 25.21 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 113.466 -1.697 . . . . 15.0 108.682 -171.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -69.84 134.22 88.05 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 116.294 -0.412 . . . . 15.0 112.094 -167.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 N--CA 1.463 -0.31 0 C-N-CA 122.967 2.445 . . . . 15.0 110.556 176.389 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.606 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 65.6 m95 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.059 0.457 . . . . 15.0 111.002 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.34 141.83 28.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.496 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.56 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.7 mtpt -89.88 100.83 13.57 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 122.338 1.066 . . . . 15.0 109.921 174.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.676 ' HE ' ' HA ' ' A' ' 14' ' ' ARG . 3.0 tpm_? -110.05 150.51 28.45 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.286 -1.779 . . . . 15.0 108.827 -173.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.37 121.57 31.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.394 0.616 . . . . 15.0 110.192 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.64 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 29.5 p -90.01 137.56 32.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.675 -176.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -70.0 -26.23 63.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.632 -1.167 . . . . 15.0 113.429 -169.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.725 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 48.1 t -70.31 -70.13 0.31 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.391 -172.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -10.26 44.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.53 55.77 8.27 Favored Glycine 0 N--CA 1.452 -0.245 0 N-CA-C 110.503 -1.039 . . . . 15.0 110.503 -172.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -132.85 150.63 52.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.407 -0.396 . . . . 15.0 110.574 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.56 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -89.37 97.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 122.219 1.009 . . . . 15.0 110.232 -178.294 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.64 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 17.9 p90 -89.95 150.78 22.01 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.487 -1.688 . . . . 15.0 108.782 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.521 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 94.9 m-85 -88.96 103.35 15.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.634 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 39.5 t80 -96.57 118.34 32.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.359 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.699 ' OD1' HG12 ' A' ' 28' ' ' ILE . 34.5 t30 -114.65 113.63 24.6 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.556 0.217 . . . . 15.0 110.889 -177.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.598 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.5 p80 -92.7 2.9 56.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.749 0.648 . . . . 15.0 112.749 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.699 HG12 ' OD1' ' A' ' 26' ' ' ASN . 31.7 pt -74.95 -43.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.883 -1.127 . . . . 15.0 108.856 172.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 31' ' ' ALA . 9.6 t -90.53 -13.78 33.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.447 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.8 t30 68.39 18.28 9.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.618 0.767 . . . . 15.0 110.73 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.685 ' H ' HG23 ' A' ' 29' ' ' THR . . . -98.61 148.39 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.91 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 p -116.17 118.23 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.602 . . . . 15.0 110.78 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.592 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 65.9 mm-40 -117.59 110.4 17.87 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.749 0.277 . . . . 15.0 111.749 -175.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.725 ' HH2' ' HB3' ' A' ' 18' ' ' SER . 18.6 m95 -69.93 -38.47 76.23 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 122.074 0.94 . . . . 15.0 108.855 171.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.16 157.42 18.83 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 113.749 -1.568 . . . . 15.0 108.119 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 47.7 mtp180 -69.68 135.77 88.06 Favored Pre-proline 0 N--CA 1.466 0.331 0 N-CA-C 112.8 0.667 . . . . 15.0 112.8 -163.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 22.7 Cg_exo . . . . . 0 C--N 1.353 0.788 0 C-N-CA 123.298 2.666 . . . . 15.0 113.155 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.153 -0.314 . . . . 15.0 110.153 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.27 148.99 9.6 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.263 2.642 . . . . 15.0 112.568 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -47.52 -29.72 10.78 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 124.028 3.152 . . . . 15.0 113.603 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -66.96 -13.89 62.46 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.373 -0.441 . . . . 15.0 113.494 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.649 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 74.7 m95 -89.81 108.28 19.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.996 0.427 . . . . 15.0 110.426 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -104.56 150.02 24.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.045 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -97.54 113.11 24.75 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.856 0.836 . . . . 15.0 109.816 172.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -125.66 150.61 47.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.164 -1.38 . . . . 15.0 109.241 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.4 mtt -89.33 124.1 34.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.609 0.719 . . . . 15.0 110.99 -173.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.657 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 25.9 p -90.17 150.07 22.16 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.02 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -69.62 -57.49 5.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.009 -1.45 . . . . 15.0 113.643 -165.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.8 p -69.62 -53.96 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.134 0.791 . . . . 15.0 113.134 -166.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.592 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 38.5 t -89.74 -10.2 46.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.237 . . . . 15.0 111.373 -175.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 57.2 18.4 Favored Glycine 0 C--N 1.333 0.389 0 N-CA-C 110.036 -1.226 . . . . 15.0 110.036 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -121.94 150.18 42.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.096 -0.552 . . . . 15.0 110.478 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 m -89.47 95.62 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.733 0.778 . . . . 15.0 110.158 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.657 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 14.0 p90 -99.55 150.37 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.977 -1.011 . . . . 15.0 109.997 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.477 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 45.7 m-85 -89.66 115.32 26.95 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.556 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.683 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 44.2 t80 -110.91 128.07 55.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.671 ' OD1' HG12 ' A' ' 28' ' ' ILE . 26.6 t30 -122.76 124.16 42.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.592 -0.276 . . . . 15.0 110.654 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.683 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.4 p80 -97.58 -3.66 39.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.673 0.62 . . . . 15.0 112.673 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.671 HG12 ' OD1' ' A' ' 26' ' ' ASN . 23.6 pt -79.73 -41.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.534 -0.866 . . . . 15.0 109.144 174.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 m -90.29 -17.6 27.11 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.656 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 t30 67.58 18.09 9.95 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.763 0.792 . . . . 15.0 109.583 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.06 150.1 20.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.613 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 t -132.32 125.98 32.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.217 -0.447 . . . . 15.0 109.948 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 46.5 mt-30 -132.06 112.17 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.924 -175.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.682 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 13.2 m95 -69.67 -37.95 76.89 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 122.044 0.926 . . . . 15.0 108.839 169.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.798 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 1.3 pt-20 -80.12 156.25 27.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.824 -1.535 . . . . 15.0 107.776 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -69.75 125.96 92.27 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.408 . . . . 15.0 111.52 -167.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.25 -30.16 79.07 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.921 3.081 . . . . 15.0 113.457 -175.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 p -91.25 -1.41 57.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.708 -176.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.438 -1.201 . . . . 15.0 111.635 -178.336 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.028 -0.36 . . . . 15.0 110.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 9.8 pt -108.57 89.49 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 121.136 0.493 . . . . 15.0 109.68 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.455 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.682 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 12.2 Cg_exo -75.74 139.66 22.67 Favored 'Trans proline' 0 C--N 1.308 -1.569 1 C-N-CA 126.77 4.98 . . . . 15.0 115.103 -176.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 55.3 Cg_endo -70.74 140.13 38.31 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 124.869 3.713 . . . . 15.0 110.457 159.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.635 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 2.0 mp -82.06 137.51 46.36 Favored Pre-proline 0 CA--C 1.509 -0.603 0 CA-C-O 121.86 0.838 . . . . 15.0 109.772 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.798 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 31.1 Cg_exo -59.37 -10.01 9.95 Favored 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 124.448 3.432 . . . . 15.0 113.432 -175.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 215' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 11.9 p90 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.195 -0.907 . . . . 15.0 110.224 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.742 ' HG ' ' HB2' ' A' ' 37' ' ' PRO . 2.8 mm? . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 113.794 1.035 . . . . 15.0 113.794 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.705 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 4.1 Cg_endo -46.02 -34.32 12.67 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 123.196 2.597 . . . . 15.0 116.774 -176.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 9.3 Cg_endo -53.73 -30.13 55.07 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.519 1.479 . . . . 15.0 112.913 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.83 -39.17 1.61 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.865 -0.683 . . . . 15.0 112.227 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 20.6 m95 -89.92 126.85 35.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.982 -0.377 . . . . 15.0 109.982 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.87 150.17 22.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.613 0.721 . . . . 15.0 111.385 -171.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.68 ' CE ' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -89.89 104.25 16.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.325 -0.852 . . . . 15.0 110.466 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.547 ' HD3' ' H ' ' A' ' 15' ' ' MET . 17.1 tpp180 -124.56 150.24 46.11 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.162 -1.381 . . . . 15.0 108.292 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.547 ' H ' ' HD3' ' A' ' 14' ' ' ARG . 2.0 mpt? -89.52 130.66 35.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.432 0.634 . . . . 15.0 110.94 -171.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.791 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 82.6 p -89.89 135.36 33.68 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.001 -0.999 . . . . 15.0 109.97 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.552 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 24.3 ttt180 -74.89 -31.07 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.535 -165.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.545 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 38.5 t -78.02 -64.79 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.21 -175.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 m -87.04 -9.97 54.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.314 0.486 . . . . 15.0 112.314 -173.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.92 54.38 25.2 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.161 -1.176 . . . . 15.0 110.161 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 4.8 mmp_? -131.6 150.8 52.02 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 114.935 -0.632 . . . . 15.0 110.619 -168.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.68 ' HB ' ' CE ' ' A' ' 13' ' ' LYS . 2.9 m -88.95 94.49 4.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 122.486 1.136 . . . . 15.0 110.406 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 9.1 p90 -89.83 150.57 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 113.863 -1.517 . . . . 15.0 108.952 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -89.24 110.34 21.12 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.154 0.502 . . . . 15.0 109.648 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.587 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 38.5 t80 -108.92 130.71 55.45 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.583 -0.735 . . . . 15.0 109.608 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.585 ' CG ' HG12 ' A' ' 28' ' ' ILE . 40.8 t-20 -129.65 127.0 39.68 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.5 -0.48 . . . . 15.0 110.155 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.587 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.9 p80 -91.16 0.48 57.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.585 HG12 ' CG ' ' A' ' 26' ' ' ASN . 17.3 pt -75.87 -42.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 108.937 -0.764 . . . . 15.0 108.937 171.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.525 ' N ' HG13 ' A' ' 28' ' ' ILE . 9.4 p -90.36 -20.76 22.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.388 -0.824 . . . . 15.0 111.398 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 71.7 13.09 6.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.123 0.963 . . . . 15.0 109.212 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 141.04 29.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.277 -0.874 . . . . 15.0 111.249 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -120.17 109.49 15.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.551 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.559 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 36.0 mt-30 -123.5 106.06 10.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.392 0.515 . . . . 15.0 112.392 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.791 ' CZ2' ' HB2' ' A' ' 16' ' ' SER . 7.1 m0 -74.57 -27.22 60.4 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.113 -1.069 . . . . 15.0 108.113 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -95.1 147.71 23.14 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.731 -1.577 . . . . 15.0 106.933 178.218 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.1 mpp_? -69.7 126.24 92.43 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.873 0.694 . . . . 15.0 112.873 -162.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.742 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 67.6 Cg_exo -51.46 -65.09 0.16 Allowed 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 124.075 3.183 . . . . 15.0 112.826 -177.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -142.24 12.94 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.532 0.682 . . . . 15.0 109.192 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.018 -1.434 . . . . 15.0 111.014 -176.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 208' ' ' ARG . . . . . 0.457 ' HG2' HG12 ' B' ' 209' ' ' ILE . 18.9 ttp180 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.118 -0.697 . . . . 15.0 109.118 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 209' ' ' ILE . . . . . 0.457 HG12 ' HG2' ' B' ' 208' ' ' ARG . 4.0 pt -136.36 89.42 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 108.921 -0.77 . . . . 15.0 108.921 170.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.552 ' O3P' ' HD3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.675 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 3.5 Cg_exo -82.32 124.57 4.26 Favored 'Trans proline' 0 C--N 1.31 -1.49 1 C-N-CA 127.493 5.462 . . . . 15.0 113.804 176.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.509 ' O ' HD12 ' B' ' 213' ' ' LEU . 53.1 Cg_endo -71.89 99.39 0.97 Allowed 'Trans proline' 0 C--N 1.297 -2.144 0 C-N-CA 123.282 2.654 . . . . 15.0 111.583 166.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.542 ' CD2' ' H ' ' A' ' 34' ' ' TRP . 1.8 mp -130.17 151.26 78.11 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 108.348 -0.982 . . . . 15.0 108.348 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.438 ' HG2' ' CE2' ' B' ' 215' ' ' PHE . 36.3 Cg_endo -66.92 -9.6 25.43 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 123.194 2.596 . . . . 15.0 114.079 -173.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 215' ' ' PHE . . . . . 0.438 ' CE2' ' HG2' ' B' ' 214' ' ' PRO . 71.7 m-85 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.421 -0.799 . . . . 15.0 111.155 -175.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.442 HD12 ' HD2' ' A' ' 8' ' ' PRO . 37.7 tp . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.527 0.203 . . . . 15.0 110.494 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HD2' HD12 ' A' ' 7' ' ' LEU . 52.7 Cg_exo -56.04 132.98 55.25 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.843 2.362 . . . . 15.0 112.286 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 77.1 Cg_exo -49.98 -29.66 22.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.974 3.116 . . . . 15.0 113.596 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.77 -9.9 22.15 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-N 116.104 -0.498 . . . . 15.0 113.691 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.712 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 71.3 m95 -90.02 117.01 28.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.184 0.516 . . . . 15.0 110.295 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -96.24 150.12 20.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.3 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 1.3 mmpt? -93.41 103.42 15.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.437 0.637 . . . . 15.0 110.48 176.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -120.28 150.2 41.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.579 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.5 ptp -89.74 130.24 36.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.713 0.768 . . . . 15.0 110.839 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 23.2 p -89.91 131.75 35.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.876 -1.056 . . . . 15.0 109.851 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 17' ' ' ARG . 48.4 ttt-85 -69.97 -25.49 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.25 -0.886 . . . . 15.0 113.048 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.583 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 15.3 m -69.81 -70.17 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.732 0.301 . . . . 15.0 111.392 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 m -90.03 -9.89 46.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.679 0.251 . . . . 15.0 111.679 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.18 50.72 21.06 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.85 -0.9 . . . . 15.0 110.85 -174.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.514 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 5.0 mmp_? -122.87 150.48 42.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.47 -0.365 . . . . 15.0 110.805 -172.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.407 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -89.2 91.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.809 0.814 . . . . 15.0 110.873 -176.139 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 17.1 p90 -90.03 150.8 21.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.185 -1.37 . . . . 15.0 109.369 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.66 111.59 22.59 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.196 0.522 . . . . 15.0 109.672 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.609 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 16.1 t80 -97.59 119.41 36.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.019 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.783 HD21 HG12 ' A' ' 28' ' ' ILE . 21.7 t-20 -108.15 135.15 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 122.219 -0.301 . . . . 15.0 110.462 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.609 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.8 p80 -111.84 5.11 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.783 HG12 HD21 ' A' ' 26' ' ' ASN . 36.2 pt -81.93 -41.34 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 119.573 -0.851 . . . . 15.0 108.757 172.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 m -90.13 -22.81 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.675 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.6 t30 73.81 25.96 1.89 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.095 -0.957 . . . . 15.0 109.849 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 136.74 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.261 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.0 m -106.09 114.73 29.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.848 -0.615 . . . . 15.0 110.243 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.411 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 17.3 mm-40 -122.24 124.06 42.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.904 0.705 . . . . 15.0 112.904 -171.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.737 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 21.4 m95 -80.13 -56.47 4.2 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.862 0.839 . . . . 15.0 109.459 170.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.53 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 0.0 OUTLIER -71.82 159.21 34.71 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.895 -1.502 . . . . 15.0 108.479 -177.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -69.56 117.03 49.04 Favored Pre-proline 0 N--CA 1.466 0.363 0 N-CA-C 112.408 0.522 . . . . 15.0 112.408 -163.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.54 -53.58 6.83 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.888 3.059 . . . . 15.0 113.296 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -150.52 -95.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.521 -0.548 . . . . 15.0 109.521 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.982 0 CA-C-O 118.972 -0.905 . . . . 15.0 110.982 177.083 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 109.256 -0.646 . . . . 15.0 109.256 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 22.6 mt -107.13 89.89 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 108.213 -1.032 . . . . 15.0 108.213 168.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.433 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.737 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 11.8 Cg_exo -76.08 144.04 26.41 Favored 'Trans proline' 0 C--N 1.31 -1.496 1 C-N-CA 126.91 5.073 . . . . 15.0 114.918 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.532 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 55.6 Cg_endo -71.65 131.96 19.51 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 124.856 3.704 . . . . 15.0 110.651 157.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.672 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 2.4 mp -71.07 150.52 94.81 Favored Pre-proline 0 CA--C 1.511 -0.551 0 CA-C-O 121.923 0.868 . . . . 15.0 110.295 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.53 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 39.2 Cg_exo -56.23 -9.99 4.08 Favored 'Trans proline' 0 C--N 1.323 -0.801 0 C-N-CA 124.749 3.633 . . . . 15.0 113.373 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.694 -0.669 . . . . 15.0 109.954 177.834 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.704 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 2.0 pt? . . . . . 0 CA--C 1.555 1.138 0 N-CA-C 114.921 1.452 . . . . 15.0 114.921 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.704 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 4.4 Cg_endo -47.74 -39.09 30.62 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.142 1.894 . . . . 15.0 115.993 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 11.3 Cg_endo -55.31 -29.9 69.76 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 121.952 1.768 . . . . 15.0 113.333 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.78 -10.16 53.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.426 -0.893 . . . . 15.0 112.863 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.657 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 38.5 m95 -113.61 124.08 51.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.344 0.592 . . . . 15.0 110.554 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -89.69 142.24 27.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.715 -173.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -89.94 94.93 10.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.857 0.837 . . . . 15.0 110.01 170.659 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -116.45 150.48 37.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.095 -1.411 . . . . 15.0 109.097 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -89.38 136.73 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.476 0.655 . . . . 15.0 110.454 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.601 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 16.1 m -89.87 134.86 33.97 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.659 -1.155 . . . . 15.0 109.028 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 17' ' ' ARG . 42.3 ttt-85 -69.5 -70.08 0.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.82 1.325 . . . . 15.0 113.269 -160.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 m -71.55 -42.02 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -171.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 t -90.27 -15.02 32.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.448 0.536 . . . . 15.0 112.448 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.08 6.33 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.353 -0.927 . . . . 15.0 112.152 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.577 ' H ' ' HB2' ' A' ' 16' ' ' SER . 90.2 mtt180 -124.91 150.33 46.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 122.75 -0.264 . . . . 15.0 111.211 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.701 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 2.5 m -89.47 89.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.281 -0.887 . . . . 15.0 110.469 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.666 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 8.6 p90 -93.49 148.91 21.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 15.0 109.776 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.401 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 73.4 m-85 -91.55 108.56 19.98 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.865 0.364 . . . . 15.0 110.461 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.652 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 8.5 t80 -93.68 119.22 32.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.727 0.299 . . . . 15.0 110.202 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.866 HD21 HG12 ' A' ' 28' ' ' ILE . 18.8 t-20 -105.37 132.67 51.27 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 122.005 -0.434 . . . . 15.0 110.399 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.652 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.4 p80 -108.76 -2.35 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.866 HG12 HD21 ' A' ' 26' ' ' ASN . 49.4 pt -75.56 -44.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 119.347 -0.941 . . . . 15.0 109.081 174.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 28' ' ' ILE . 8.4 m -90.32 -14.17 33.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.403 170.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 64.6 t30 68.99 22.82 6.84 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.752 0.787 . . . . 15.0 109.985 -177.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.18 125.14 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.111 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.9 m -95.52 109.62 21.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.07 -0.513 . . . . 15.0 110.293 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.657 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 45.2 mt-30 -113.35 141.0 47.57 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 120.954 0.407 . . . . 15.0 111.468 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.858 ' H ' HD23 ' B' ' 213' ' ' LEU . 13.6 m0 -104.85 -27.85 11.49 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 122.501 1.144 . . . . 15.0 108.162 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -83.21 153.66 24.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 112.636 -2.075 . . . . 15.0 108.062 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.61 ' HD2' ' O ' ' A' ' 39' ' ' GLY . 29.3 ttm180 -69.66 122.67 86.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 15.0 111.228 -168.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.663 ' HB2' HD11 ' A' ' 7' ' ' LEU . 13.7 Cg_endo -58.61 -29.79 90.17 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.863 3.042 . . . . 15.0 114.305 -170.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 m -106.12 -0.45 24.7 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.114 -0.234 . . . . 15.0 111.312 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.61 ' O ' ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.529 -1.15 . . . . 15.0 111.581 -176.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.705 0.288 . . . . 15.0 110.761 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 209' ' ' ILE . . . . . 0.514 ' H ' HD12 ' B' ' 209' ' ' ILE . 1.0 OUTLIER -102.24 90.02 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.215 -0.661 . . . . 15.0 109.215 176.512 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.403 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.561 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 7.7 Cg_exo -81.21 123.81 4.62 Favored 'Trans proline' 0 C--N 1.313 -1.305 1 C-N-CA 127.598 5.532 . . . . 15.0 114.349 177.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 60.1 Cg_endo -74.67 99.49 1.23 Allowed 'Trans proline' 0 C--N 1.301 -1.956 0 C-N-CA 124.236 3.291 . . . . 15.0 111.812 164.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.858 HD23 ' H ' ' A' ' 34' ' ' TRP . 1.9 mp -124.56 139.0 32.14 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-O 120.811 0.339 . . . . 15.0 110.632 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.1 -9.81 16.56 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 123.18 2.587 . . . . 15.0 113.655 -173.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.788 -0.625 . . . . 15.0 110.8 -177.332 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.476 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 2.4 pt? . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 113.44 0.904 . . . . 15.0 113.44 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.595 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 14.2 Cg_endo -57.46 -35.5 98.85 Favored 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 121.521 1.48 . . . . 15.0 115.489 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 19.2 Cg_endo -57.91 -29.73 87.33 Favored 'Trans proline' 0 C--N 1.364 1.376 0 C-N-CA 122.049 1.832 . . . . 15.0 112.916 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.88 -45.97 10.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.692 -0.766 . . . . 15.0 112.912 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.601 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 15.9 m95 -89.81 142.22 27.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.76 0.314 . . . . 15.0 111.16 -173.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.813 ' HG2' ' O ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.84 146.45 24.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.298 0.571 . . . . 15.0 111.487 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.773 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 42.6 mmtt -89.79 105.74 18.0 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.686 0.755 . . . . 15.0 109.046 172.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -117.71 150.0 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.576 -1.193 . . . . 15.0 108.94 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.51 134.15 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.541 0.686 . . . . 15.0 112.139 -168.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.56 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 15.0 m -89.78 129.08 36.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.549 -1.205 . . . . 15.0 108.041 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.476 ' HB3' ' O3P' ' B' ' 210' ' ' SEP . 20.0 ttt180 -69.56 -70.25 0.29 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.121 0.888 . . . . 15.0 112.702 -164.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.0 p -70.19 -30.38 67.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.485 0.55 . . . . 15.0 112.485 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 p -90.18 -20.61 22.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.567 0.58 . . . . 15.0 112.567 -175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.07 48.37 76.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.562 -0.827 . . . . 15.0 111.324 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' H ' ' HB2' ' A' ' 16' ' ' SER . 36.4 mtp180 -117.0 150.12 39.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 120.7 0.285 . . . . 15.0 111.414 -173.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.719 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -89.89 90.21 3.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.445 -0.502 . . . . 15.0 110.76 173.587 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.7 p90 -89.89 150.18 22.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.773 ' CE1' ' HE2' ' A' ' 13' ' ' LYS . 57.4 m-85 -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.261 0.553 . . . . 15.0 110.531 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.813 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.6 t80 -100.58 143.37 30.83 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.372 -1.344 . . . . 15.0 107.372 173.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.639 ' OD1' HG12 ' A' ' 28' ' ' ILE . 1.2 t-20 -150.11 115.22 5.39 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.942 -0.703 . . . . 15.0 110.747 170.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.76 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 2.8 p80 -84.43 3.27 36.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -175.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.639 HG12 ' OD1' ' A' ' 26' ' ' ASN . 17.1 pt -70.4 -40.61 77.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.352 -0.981 . . . . 15.0 108.352 170.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 28' ' ' ILE . 18.6 m -90.23 -21.15 22.27 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.655 169.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.76 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.7 t-20 72.47 14.62 5.26 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.009 -0.996 . . . . 15.0 109.611 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 150.04 21.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.909 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 t -117.71 107.99 14.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.852 -0.796 . . . . 15.0 108.852 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -124.23 100.59 6.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.458 0.647 . . . . 15.0 112.461 -169.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.601 ' H ' ' CD2' ' B' ' 213' ' ' LEU . 10.0 m0 -70.08 -40.11 75.21 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 107.873 -1.158 . . . . 15.0 107.873 166.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.507 ' H ' HD23 ' B' ' 213' ' ' LEU . 13.0 pt-20 -70.05 143.98 52.32 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 112.801 -2.0 . . . . 15.0 108.083 176.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -69.74 126.63 92.64 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -163.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -59.76 -44.27 32.3 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 123.162 2.575 . . . . 15.0 111.842 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t 176.62 -81.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.031 -0.986 . . . . 15.0 108.407 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 110.668 -0.973 . . . . 15.0 110.668 176.431 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 110.015 -0.365 . . . . 15.0 110.015 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 8.4 mt -118.3 90.24 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.065 -0.254 . . . . 15.0 110.687 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.522 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.535 ' HA ' ' HD2' ' B' ' 212' ' ' PRO . 15.7 Cg_exo -76.31 119.58 5.33 Favored 'Trans proline' 0 C--N 1.31 -1.476 1 C-N-CA 126.905 5.07 . . . . 15.0 113.81 178.585 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.547 ' O ' HD12 ' B' ' 213' ' ' LEU . 54.3 Cg_endo -71.71 99.57 0.97 Allowed 'Trans proline' 0 C--N 1.303 -1.858 0 C-N-CA 123.709 2.939 . . . . 15.0 111.26 168.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.601 ' CD2' ' H ' ' A' ' 34' ' ' TRP . 4.1 mp -128.79 134.34 26.19 Favored Pre-proline 0 N--CA 1.469 0.488 0 N-CA-C 109.782 -0.451 . . . . 15.0 109.782 -177.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -80.75 -9.63 13.22 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.183 2.589 . . . . 15.0 113.293 -173.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.497 -0.764 . . . . 15.0 110.655 -176.578 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HD2' ' CD1' ' A' ' 11' ' ' TRP . 52.0 Cg_exo -55.82 143.71 80.04 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.875 2.384 . . . . 15.0 111.86 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.72 -29.41 14.52 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.539 2.826 . . . . 15.0 112.709 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.638 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -62.52 -11.49 35.26 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.601 -0.727 . . . . 15.0 114.018 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.537 ' CE3' ' HB3' ' A' ' 24' ' ' TYR . 83.8 m95 -89.83 110.98 21.87 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 117.568 0.684 . . . . 15.0 109.922 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -114.65 139.84 49.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 15.0 109.529 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 2.0 mtpm? -89.73 98.16 11.61 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 122.262 1.03 . . . . 15.0 109.707 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.03 150.46 25.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.259 -1.792 . . . . 15.0 109.277 -170.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.4 mtm -89.51 125.93 35.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.985 0.422 . . . . 15.0 110.333 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.5 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 34.7 p -89.81 131.44 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.229 -178.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HB3' ' P ' ' B' ' 210' ' ' SEP . 31.2 ttt-85 -69.93 -37.41 75.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.413 -1.267 . . . . 15.0 112.881 -169.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -69.9 -63.99 0.97 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 112.239 0.459 . . . . 15.0 112.239 -171.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.58 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 8.2 t -89.98 -10.31 45.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.78 59.89 5.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.536 -0.84 . . . . 15.0 111.314 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -136.2 150.16 48.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.704 0.288 . . . . 15.0 110.549 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 m -89.42 101.23 11.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.694 0.759 . . . . 15.0 110.26 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.936 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 15.2 p90 -103.82 150.47 24.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.744 -1.116 . . . . 15.0 109.782 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.537 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 59.9 m-85 -89.09 101.05 13.71 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.356 0.598 . . . . 15.0 109.691 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.75 ' HE1' ' HD2' ' A' ' 27' ' ' HIS . 18.9 t80 -92.01 120.46 32.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.289 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.638 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 2.0 p30 -114.14 127.15 55.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.301 -0.56 . . . . 15.0 109.627 178.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.75 ' HD2' ' HE1' ' A' ' 25' ' ' PHE . 2.2 p80 -101.7 8.98 41.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -72.1 -50.29 37.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.585 -1.265 . . . . 15.0 107.585 170.528 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 m -90.0 -19.24 24.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.647 -1.16 . . . . 15.0 110.072 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.5 t-20 74.63 16.99 3.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.867 0.841 . . . . 15.0 109.63 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.22 139.04 31.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.31 -0.859 . . . . 15.0 110.839 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -104.11 111.28 23.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -117.54 110.06 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.902 0.382 . . . . 15.0 111.951 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.936 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 14.3 m95 -69.93 -37.29 75.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.099 0.952 . . . . 15.0 109.041 170.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.603 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 4.6 pt-20 -74.9 148.41 40.13 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 113.395 -1.73 . . . . 15.0 108.497 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -69.51 129.38 91.57 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.588 -167.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.58 -44.53 39.67 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 123.83 3.02 . . . . 15.0 112.811 -176.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -155.21 132.23 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.324 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.249 -1.306 . . . . 15.0 111.331 177.304 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.837 0.351 . . . . 15.0 110.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 4.5 pt -140.27 89.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.015 -0.538 . . . . 15.0 110.48 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.518 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.702 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 11.5 Cg_exo -77.25 145.57 24.33 Favored 'Trans proline' 0 C--N 1.31 -1.46 1 C-N-CA 126.893 5.062 . . . . 15.0 115.188 -177.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.529 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 48.6 Cg_endo -71.39 145.28 47.61 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 124.819 3.679 . . . . 15.0 110.442 156.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.668 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 2.6 mp -79.93 135.53 55.26 Favored Pre-proline 0 N--CA 1.467 0.408 0 CA-C-O 121.599 0.714 . . . . 15.0 110.073 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.603 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 34.2 Cg_exo -56.45 -10.17 4.61 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 125.066 3.844 . . . . 15.0 114.969 -172.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 215' ' ' PHE . . . . . 0.465 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 2.7 p90 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.214 -0.898 . . . . 15.0 110.597 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.67 HD12 ' HD2' ' A' ' 8' ' ' PRO . 48.8 tp . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.67 ' HD2' HD12 ' A' ' 7' ' ' LEU . 53.6 Cg_exo -53.45 133.99 55.64 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.114 2.543 . . . . 15.0 113.112 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 32.1 Cg_exo -57.12 -29.6 83.89 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.291 2.661 . . . . 15.0 111.944 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -57.57 -10.18 5.75 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-N 115.43 -0.804 . . . . 15.0 114.261 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.725 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 75.2 m95 -89.76 104.67 17.21 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 117.501 0.651 . . . . 15.0 109.658 176.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 4.0 mm-40 -89.93 147.71 23.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.742 -174.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -97.75 98.87 10.22 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.539 0.685 . . . . 15.0 109.646 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -115.52 150.59 36.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.864 -1.062 . . . . 15.0 109.869 -171.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -89.51 130.49 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.532 0.682 . . . . 15.0 109.724 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.718 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 m -89.76 124.26 34.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.733 -1.121 . . . . 15.0 110.753 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.48 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 43.2 ttt-85 -69.93 -27.94 65.18 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 125.141 1.526 . . . . 15.0 113.189 -169.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.519 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 7.9 t -85.18 -68.27 0.74 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 111.462 -172.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.485 ' HB3' ' HG2' ' A' ' 21' ' ' ARG . 20.2 t -89.85 -9.82 47.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.819 0.303 . . . . 15.0 111.819 -172.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.12 60.19 3.17 Favored Glycine 0 C--O 1.227 -0.285 0 N-CA-C 110.413 -1.075 . . . . 15.0 110.413 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.574 ' H ' ' HB2' ' A' ' 16' ' ' SER . 22.3 mmt180 -124.74 150.96 45.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.346 -0.427 . . . . 15.0 112.039 -167.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.42 92.1 3.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.083 -1.081 . . . . 15.0 108.083 172.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' HD1' ' HG ' ' A' ' 16' ' ' SER . 9.3 p90 -95.84 143.88 26.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.238 0.542 . . . . 15.0 109.888 -175.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.523 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 59.4 m-85 -89.96 103.99 16.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.298 -0.865 . . . . 15.0 109.355 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.791 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 39.2 t80 -90.83 112.25 23.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.815 -0.439 . . . . 15.0 109.815 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.693 HD21 HG12 ' A' ' 28' ' ' ILE . 18.6 t-20 -104.28 125.94 50.96 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 122.165 -0.334 . . . . 15.0 110.443 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.791 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.0 p80 -106.37 14.82 26.86 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.102 0.779 . . . . 15.0 113.102 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.693 HG12 HD21 ' A' ' 26' ' ' ASN . 36.9 pt -83.01 -47.99 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 118.956 -1.097 . . . . 15.0 108.73 171.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.538 HG22 ' OD1' ' A' ' 26' ' ' ASN . 8.9 t -90.43 -11.25 40.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.97 170.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 60.17 60.14 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.895 0.855 . . . . 15.0 109.789 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.53 124.67 25.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.092 -0.958 . . . . 15.0 109.867 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -95.08 116.2 28.4 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.244 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.725 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 25.2 mm-40 -121.03 102.52 8.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 15.0 112.356 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.718 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.4 m0 -70.14 -42.14 72.94 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 107.762 -1.199 . . . . 15.0 107.762 169.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.644 ' H ' HD23 ' B' ' 213' ' ' LEU . 13.4 pt-20 -70.29 154.0 42.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 112.706 -2.043 . . . . 15.0 108.151 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 30.2 ttt180 -69.82 127.66 92.38 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-O 120.665 0.269 . . . . 15.0 111.281 -165.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 51.7 Cg_exo -54.85 -33.92 83.4 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 15.0 111.603 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 t -135.17 109.01 8.07 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.459 -0.941 . . . . 15.0 108.459 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.984 -0.898 . . . . 15.0 112.978 -175.361 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.132 -0.322 . . . . 15.0 110.132 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.69 89.59 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.374 0.607 . . . . 15.0 110.744 175.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.483 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.667 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 8.0 Cg_exo -77.65 123.4 6.39 Favored 'Trans proline' 0 C--N 1.303 -1.822 1 C-N-CA 126.653 4.902 . . . . 15.0 113.739 179.178 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.542 ' O ' HD12 ' B' ' 213' ' ' LEU . 50.6 Cg_endo -71.0 99.55 0.89 Allowed 'Trans proline' 0 C--N 1.3 -1.991 0 C-N-CA 123.598 2.865 . . . . 15.0 111.229 166.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 35' ' ' GLU . 3.3 mp -125.79 145.31 51.27 Favored Pre-proline 0 N--CA 1.47 0.543 0 N-CA-C 108.693 -0.855 . . . . 15.0 108.693 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.79 -9.85 15.28 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.748 2.966 . . . . 15.0 115.584 -167.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 119.003 -0.523 . . . . 15.0 111.801 -175.769 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' HB3' ' CD ' ' A' ' 8' ' ' PRO . 10.1 tt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 119.345 -0.36 . . . . 15.0 111.744 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.482 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 3.7 Cg_endo -43.33 -47.57 8.88 Favored 'Trans proline' 0 CA--C 1.547 1.129 0 C-N-CA 123.61 2.873 . . . . 15.0 115.832 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 18.5 Cg_endo -57.91 -29.84 87.72 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.251 1.968 . . . . 15.0 113.415 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.824 ' HA3' HD12 ' A' ' 28' ' ' ILE . . . -98.34 -35.92 4.81 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.749 -0.738 . . . . 15.0 112.729 -176.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.739 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 52.9 m95 -91.64 106.58 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.28 0.562 . . . . 15.0 109.905 178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.28 150.49 23.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.876 -173.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HE3' ' HE1' ' A' ' 24' ' ' TYR . 15.7 mmtp -89.64 106.59 18.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.564 0.697 . . . . 15.0 110.354 176.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -128.46 147.59 50.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.811 -1.086 . . . . 15.0 108.555 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.7 ttp -91.32 139.19 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.161 0.505 . . . . 15.0 111.157 -176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.419 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 40.8 p -89.69 145.18 25.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.233 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.579 ' HB3' ' O2P' ' B' ' 210' ' ' SEP . 33.5 ttp85 -69.82 -70.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.449 -1.25 . . . . 15.0 113.834 -157.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -79.69 -19.06 49.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 15.0 111.913 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -24.69 20.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.293 -0.412 . . . . 15.0 112.095 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.79 45.92 95.23 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.244 -174.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -123.79 150.64 44.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.55 -0.325 . . . . 15.0 111.104 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 m -89.34 111.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.782 0.801 . . . . 15.0 110.32 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.675 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -113.47 150.63 32.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 15.0 109.494 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.739 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 51.8 m-85 -89.52 103.09 15.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.967 -0.383 . . . . 15.0 109.967 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.664 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.4 t80 -89.93 115.38 27.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.213 0.53 . . . . 15.0 109.975 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.589 HD21 ' HB ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -103.76 133.78 48.18 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.351 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.664 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 8.9 p80 -117.05 4.36 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.119 -0.632 . . . . 15.0 112.317 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.824 HD12 ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -72.66 -44.64 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.561 -0.903 . . . . 15.0 108.561 172.288 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.589 ' HB ' HD21 ' A' ' 26' ' ' ASN . 5.2 m -90.3 -20.17 23.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.494 -0.775 . . . . 15.0 110.047 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 15.1 t30 64.44 60.11 0.95 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.48 1.133 . . . . 15.0 109.255 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.59 123.35 23.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.142 -1.39 . . . . 15.0 109.157 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -89.88 98.92 12.05 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.014 0.435 . . . . 15.0 109.939 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.8 mm100 -110.37 105.4 14.38 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 112.453 0.538 . . . . 15.0 112.453 -169.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.833 ' HE1' ' HD2' ' B' ' 211' ' ' PRO . 9.7 m0 -69.72 -38.46 76.9 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 107.738 -1.208 . . . . 15.0 107.738 169.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.632 ' H ' HD23 ' B' ' 213' ' ' LEU . 10.2 pt-20 -72.62 119.1 16.37 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 113.018 -1.901 . . . . 15.0 108.199 176.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.592 ' HD2' ' HA2' ' A' ' 39' ' ' GLY . 34.4 ptt180 -69.93 148.37 96.26 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.709 . . . . 15.0 112.544 -165.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.35 -29.85 45.49 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.314 2.676 . . . . 15.0 112.303 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.9 t -162.45 -53.14 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.56 . . . . 15.0 109.937 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.592 ' HA2' ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.875 -0.958 . . . . 15.0 111.357 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.494 0.188 . . . . 15.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 28.9 mt -80.0 125.19 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.197 -173.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.579 ' O2P' ' HB3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.833 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 16.7 Cg_exo -75.42 123.64 7.79 Favored 'Trans proline' 0 C--N 1.309 -1.533 1 C-N-CA 126.813 5.009 . . . . 15.0 113.779 176.724 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.536 ' O ' HD12 ' B' ' 213' ' ' LEU . 49.5 Cg_endo -70.25 99.35 0.79 Allowed 'Trans proline' 0 C--N 1.3 -2.001 0 C-N-CA 123.472 2.781 . . . . 15.0 112.104 169.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.632 HD23 ' H ' ' A' ' 35' ' ' GLU . 2.3 mp -131.19 156.24 80.41 Favored Pre-proline 0 N--CA 1.479 0.981 0 N-CA-C 108.486 -0.931 . . . . 15.0 108.486 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.75 -9.72 26.81 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.06 2.507 . . . . 15.0 114.002 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.792 -0.623 . . . . 15.0 110.887 -176.78 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.245 -0.65 . . . . 15.0 109.245 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.15 126.97 21.61 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.676 2.251 . . . . 15.0 112.605 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.17 -29.58 29.39 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.843 3.029 . . . . 15.0 113.248 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.97 -13.05 17.58 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 116.242 -0.436 . . . . 15.0 113.764 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.751 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 72.9 m95 -89.71 111.75 22.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.29 0.545 . . . . 15.0 109.964 176.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -103.69 150.7 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.849 -0.614 . . . . 15.0 110.849 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 15.0 mmtp -89.38 104.91 17.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.813 0.816 . . . . 15.0 110.068 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -120.68 143.63 48.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.519 -1.219 . . . . 15.0 108.881 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.6 mtt -89.71 136.49 33.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.449 0.643 . . . . 15.0 111.555 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.9 p -89.93 145.52 25.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.957 -1.02 . . . . 15.0 109.847 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.95 -69.71 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.865 1.353 . . . . 15.0 113.733 -162.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -76.4 -33.82 58.85 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.591 0.589 . . . . 15.0 112.591 -167.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -90.13 -13.76 35.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.736 -0.386 . . . . 15.0 111.372 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.14 57.74 18.23 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.08 -0.581 . . . . 15.0 111.981 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.04 150.26 51.39 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.348 0.118 . . . . 15.0 110.973 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.701 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.55 100.19 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.003 0.906 . . . . 15.0 110.759 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.664 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 24.2 p90 -99.47 150.48 22.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.55 -1.205 . . . . 15.0 108.647 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.751 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 54.3 m-85 -89.5 108.29 19.57 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.289 0.566 . . . . 15.0 109.861 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.738 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 41.7 t80 -93.04 117.53 30.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.375 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.645 HD21 HG12 ' A' ' 28' ' ' ILE . 16.4 t-20 -113.98 113.92 25.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.179 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.738 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.9 p80 -94.61 2.93 55.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.252 0.834 . . . . 15.0 113.252 -175.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.645 HG12 HD21 ' A' ' 26' ' ' ASN . 46.0 pt -76.84 -40.55 31.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.033 -1.067 . . . . 15.0 108.666 171.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 m -90.34 -18.8 24.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.703 170.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 71.48 11.54 6.57 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.882 0.849 . . . . 15.0 109.901 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.6 137.26 32.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.764 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -109.96 111.81 23.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.839 -0.619 . . . . 15.0 110.109 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.617 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.6 mm-40 -114.64 111.62 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.173 0.511 . . . . 15.0 112.373 -171.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.664 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 14.9 m95 -70.2 -39.96 74.87 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.775 0.798 . . . . 15.0 109.86 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.472 ' HB3' ' HE1' ' B' ' 215' ' ' PHE . 5.5 pt-20 -83.8 159.99 21.3 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.5 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.569 ' HD3' ' OXT' ' A' ' 39' ' ' GLY . 37.1 ttt-85 -69.96 123.77 89.36 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 15.0 112.198 -165.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -61.5 -30.0 85.76 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.828 3.019 . . . . 15.0 113.553 -176.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 p -96.21 0.73 51.49 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.149 0.425 . . . . 15.0 112.149 -173.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.569 ' OXT' ' HD3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.248 1.019 0 C-N-CA 120.302 -0.952 . . . . 15.0 111.963 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 208' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 208' ' ' ARG . 6.3 tpm_? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.1 -0.333 . . . . 15.0 110.1 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 30.0 mt -79.93 131.95 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.105 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.544 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.646 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 20.7 Cg_exo -69.98 135.95 31.18 Favored 'Trans proline' 0 C--N 1.307 -1.614 1 C-N-CA 126.487 4.791 . . . . 15.0 114.952 -175.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.516 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 47.2 Cg_endo -70.32 125.09 11.47 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 124.458 3.438 . . . . 15.0 110.861 161.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.835 ' H ' HD12 ' B' ' 213' ' ' LEU . 1.2 mp -68.89 141.64 92.54 Favored Pre-proline 0 CA--C 1.503 -0.862 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 177.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' B' ' 213' ' ' LEU . 44.9 Cg_exo -55.08 -9.81 2.39 Favored 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 124.842 3.694 . . . . 15.0 113.654 -175.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 215' ' ' PHE . . . . . 0.472 ' HE1' ' HB3' ' A' ' 35' ' ' GLU . 11.9 p90 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 119.043 -0.503 . . . . 15.0 110.133 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.724 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 2.1 pt? . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 114.497 1.295 . . . . 15.0 114.497 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.724 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 4.1 Cg_endo -46.85 -35.54 18.16 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.452 2.102 . . . . 15.0 116.078 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 7.4 Cg_endo -52.37 -29.81 40.57 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 121.987 1.791 . . . . 15.0 113.191 173.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.04 -24.91 5.55 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.605 -0.807 . . . . 15.0 112.494 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.731 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 45.9 m95 -102.92 108.68 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.186 0.517 . . . . 15.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -89.92 145.8 24.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.358 -0.837 . . . . 15.0 109.009 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.707 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.4 mtpt -94.29 99.77 11.94 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.754 0.788 . . . . 15.0 109.572 171.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.606 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 2.9 tpm_? -103.94 150.43 24.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.382 -1.281 . . . . 15.0 109.729 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -89.52 126.98 35.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.495 0.664 . . . . 15.0 110.518 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.43 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.5 p -89.81 149.33 22.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.517 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.62 -47.7 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.936 1.398 . . . . 15.0 113.715 -162.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.8 m -69.8 -65.52 0.71 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -89.98 -9.98 46.7 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.2 57.61 6.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.373 -0.918 . . . . 15.0 110.888 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 21' ' ' ARG . 18.1 mtp180 -122.38 150.29 42.63 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.971 0.36 . . . . 15.0 111.971 -170.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.707 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -89.3 94.02 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.913 0.863 . . . . 15.0 110.877 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 26.7 p90 -90.06 150.59 22.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.099 -1.409 . . . . 15.0 109.048 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.731 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 95.4 m-85 -89.19 112.43 23.45 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.445 -0.576 . . . . 15.0 109.445 -176.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.695 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 28.4 t80 -105.3 122.12 45.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.152 -174.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.558 HD21 HG12 ' A' ' 28' ' ' ILE . 4.5 t-20 -112.52 118.16 34.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.75 -0.594 . . . . 15.0 110.482 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.695 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.8 p80 -93.83 -7.89 42.03 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.511 0.93 . . . . 15.0 113.511 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.558 HG12 HD21 ' A' ' 26' ' ' ASN . 36.1 pt -71.06 -42.65 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 119.337 -0.945 . . . . 15.0 109.053 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.528 ' N ' HG13 ' A' ' 28' ' ' ILE . 30.9 p -90.23 -18.43 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.416 174.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.1 t30 70.85 16.49 6.61 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.277 -0.874 . . . . 15.0 109.614 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.04 149.94 22.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.616 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' B' ' 211' ' ' PRO . 70.3 m -129.09 121.65 28.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.408 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 72.5 mt-30 -121.99 111.83 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.424 0.527 . . . . 15.0 112.424 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.71 ' CG ' ' HG ' ' B' ' 213' ' ' LEU . 9.9 m95 -70.44 -31.08 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.004 0.907 . . . . 15.0 109.109 170.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' HB3' ' HD2' ' B' ' 214' ' ' PRO . 0.0 OUTLIER -91.96 154.89 18.52 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.591 -1.64 . . . . 15.0 107.934 179.062 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -69.99 141.19 89.13 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.283 0.475 . . . . 15.0 112.283 -160.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 28.0 Cg_exo -60.04 -34.31 94.82 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.231 2.621 . . . . 15.0 112.887 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.8 p -166.29 120.47 1.13 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.066 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.749 0 CA-C-O 118.78 -1.011 . . . . 15.0 112.038 179.302 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 109.851 -0.426 . . . . 15.0 109.851 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 9.2 pt -120.1 89.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.938 -0.574 . . . . 15.0 109.787 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.546 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.709 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 3.0 Cg_exo -80.45 140.96 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.716 1 C-N-CA 126.74 4.96 . . . . 15.0 114.724 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.547 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 44.7 Cg_endo -69.98 142.72 47.67 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 124.622 3.548 . . . . 15.0 109.826 158.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.71 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 1.8 mp -82.1 142.04 47.41 Favored Pre-proline 0 CA--C 1.515 -0.383 0 CA-C-O 121.888 0.852 . . . . 15.0 110.09 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 35' ' ' GLU . 31.5 Cg_exo -56.54 -9.83 4.3 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 125.141 3.894 . . . . 15.0 115.112 -174.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.608 -0.711 . . . . 15.0 110.888 -177.38 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.547 ' HG ' ' CD1' ' A' ' 11' ' ' TRP . 10.1 tt . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 119.458 -0.306 . . . . 15.0 111.607 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.503 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 Cg_endo -42.29 -46.53 7.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 123.654 2.903 . . . . 15.0 115.712 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 11.3 Cg_endo -53.39 -29.89 50.39 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.519 2.146 . . . . 15.0 113.625 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.12 -37.65 4.3 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.451 -0.881 . . . . 15.0 112.966 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.854 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 54.2 m95 -91.75 116.96 29.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.951 0.405 . . . . 15.0 111.328 -175.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -106.85 144.07 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.952 -0.759 . . . . 15.0 108.952 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -89.9 91.86 8.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.352 1.072 . . . . 15.0 110.728 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -97.05 150.4 20.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.26 -1.791 . . . . 15.0 108.802 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.0 mtt -89.46 142.79 27.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.532 0.682 . . . . 15.0 112.052 -170.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.523 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 16.3 m -89.55 132.3 35.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.689 -1.141 . . . . 15.0 109.108 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.602 ' NH1' ' HD3' ' B' ' 208' ' ' ARG . 20.0 ttp180 -70.23 -70.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.977 1.423 . . . . 15.0 113.564 -159.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.9 m -88.08 -14.42 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.183 0.516 . . . . 15.0 111.195 -172.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -90.33 -22.96 21.28 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.993 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 57.37 18.11 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.709 -0.757 . . . . 15.0 111.388 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 21' ' ' ARG . 22.1 ttt180 -136.39 150.78 48.96 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.97 -0.115 . . . . 15.0 110.92 -171.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.61 122.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 O-C-N 121.532 -0.73 . . . . 15.0 110.863 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.6 p90 -126.52 150.31 48.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.073 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.854 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 77.2 m-85 -89.98 109.32 20.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 15.0 110.44 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.642 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 27.9 t80 -100.62 119.66 38.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.026 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.698 ' OD1' HG12 ' A' ' 28' ' ' ILE . 51.0 t-20 -110.66 126.69 54.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.642 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.7 p80 -107.12 5.43 27.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.227 0.825 . . . . 15.0 113.227 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.698 HG12 ' OD1' ' A' ' 26' ' ' ASN . 24.1 pt -78.35 -40.37 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 107.804 -1.184 . . . . 15.0 107.804 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.501 ' N ' HG13 ' A' ' 28' ' ' ILE . 39.5 p -90.32 -20.64 22.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.215 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 12.6 t-20 68.51 22.61 7.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.618 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.6 129.77 49.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 15.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.3 m -96.56 118.37 32.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.793 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.678 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 12.7 mm100 -124.29 113.33 18.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 15.0 111.451 -174.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.67 ' HE1' ' HD2' ' B' ' 211' ' ' PRO . 13.0 m0 -84.7 -35.06 22.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.188 0.994 . . . . 15.0 109.082 175.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -82.64 149.38 27.43 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 113.621 -1.627 . . . . 15.0 106.854 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -69.84 132.22 88.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.515 0.561 . . . . 15.0 112.515 -159.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 9.6 Cg_endo -55.92 -29.94 75.27 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 123.735 2.957 . . . . 15.0 112.824 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 p -97.49 109.48 22.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.134 0.492 . . . . 15.0 110.804 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.372 -1.238 . . . . 15.0 111.344 -179.805 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 208' ' ' ARG . . . . . 0.602 ' HD3' ' NH1' ' A' ' 17' ' ' ARG . 8.8 ptp180 . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.676 0.274 . . . . 15.0 110.294 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 30.1 mt -136.88 114.59 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.76 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.52 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.67 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 14.1 Cg_exo -75.67 119.03 5.3 Favored 'Trans proline' 0 C--N 1.312 -1.382 1 C-N-CA 126.865 5.044 . . . . 15.0 113.56 177.7 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.544 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 51.3 Cg_endo -70.97 99.22 0.86 Allowed 'Trans proline' 0 C--N 1.298 -2.083 0 C-N-CA 123.521 2.814 . . . . 15.0 112.023 169.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.665 ' CD2' ' H ' ' A' ' 34' ' ' TRP . 1.3 mp -123.28 134.79 25.4 Favored Pre-proline 0 N--CA 1.472 0.644 0 N-CA-C 108.52 -0.918 . . . . 15.0 108.52 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.49 -10.04 23.43 Favored 'Trans proline' 0 C--N 1.331 -0.387 0 C-N-CA 123.277 2.651 . . . . 15.0 113.755 -166.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.383 -0.817 . . . . 15.0 110.492 -178.369 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.606 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 12.6 tp . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 112.192 0.441 . . . . 15.0 112.192 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 3.2 Cg_endo -47.26 -38.27 25.64 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 C-N-CA 123.013 2.476 . . . . 15.0 115.917 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 10.3 Cg_endo -52.56 -29.97 42.89 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 122.13 1.887 . . . . 15.0 113.325 177.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.49 -40.14 2.63 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.444 -0.884 . . . . 15.0 112.046 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.912 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 60.2 m95 -89.89 100.92 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.093 0.473 . . . . 15.0 110.569 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.99 137.59 32.21 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.678 -0.692 . . . . 15.0 109.197 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 9.5 mtpm? -90.0 92.27 8.92 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 122.491 1.139 . . . . 15.0 110.829 -178.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -95.15 150.68 19.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 112.579 -2.1 . . . . 15.0 108.442 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.489 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 1.6 mpt? -89.17 140.91 28.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.716 0.77 . . . . 15.0 110.682 -173.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.7 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 7.6 m -89.67 135.81 33.4 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.254 -1.339 . . . . 15.0 109.456 -174.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.562 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 41.0 ttt-85 -69.4 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.934 1.396 . . . . 15.0 113.08 -163.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -71.51 -41.02 69.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -171.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 t -90.12 -11.62 40.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.57 0.581 . . . . 15.0 112.57 -172.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.74 60.3 7.95 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.271 -0.966 . . . . 15.0 111.607 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' H ' ' HB2' ' A' ' 16' ' ' SER . 16.3 mmm180 -124.22 150.47 45.22 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.928 -0.136 . . . . 15.0 110.994 -171.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' HB ' ' HZ3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -89.81 90.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 O-C-N 121.486 -0.759 . . . . 15.0 110.86 173.019 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 8.7 p90 -95.63 150.23 20.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 15.0 110.733 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.601 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 69.4 m-85 -89.73 107.4 19.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.007 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.502 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 63.6 t80 -99.86 120.15 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.858 0.361 . . . . 15.0 110.51 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.59 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.4 t30 -121.17 120.25 34.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.421 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 1.8 p80 -94.59 -2.04 52.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.59 HG12 ' OD1' ' A' ' 26' ' ' ASN . 16.5 pt -74.41 -39.32 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.202 -0.999 . . . . 15.0 108.416 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 28' ' ' ILE . 57.2 p -90.37 -19.91 23.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.662 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t30 70.17 16.33 7.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.814 0.816 . . . . 15.0 109.875 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.05 144.3 30.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.513 -0.767 . . . . 15.0 111.032 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 p -115.55 108.33 16.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.779 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.912 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 1.7 mp0 -111.21 100.34 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.7 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.0 m0 -69.77 -36.77 76.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.957 -1.497 . . . . 15.0 106.957 165.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 13.6 pt-20 -73.35 142.98 47.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 112.253 -2.249 . . . . 15.0 108.143 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -69.87 133.3 88.3 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.887 -0.508 . . . . 15.0 112.024 -168.813 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 52.7 Cg_exo -54.52 -30.24 63.77 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.859 3.039 . . . . 15.0 113.806 -175.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p -146.72 8.96 1.01 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.098 0.475 . . . . 15.0 110.612 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.343 -1.254 . . . . 15.0 111.794 -174.325 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 208' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 208' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.784 -0.45 . . . . 15.0 109.784 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 3.5 pt -83.74 89.58 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 120.346 -0.542 . . . . 15.0 110.511 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.562 ' O3P' ' HD3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.54 ' HD3' ' HA ' ' B' ' 210' ' ' SEP . 6.3 Cg_exo -81.36 124.34 4.72 Favored 'Trans proline' 0 C--N 1.306 -1.663 1 C-N-CA 127.05 5.167 . . . . 15.0 114.077 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.586 ' O ' HD12 ' B' ' 213' ' ' LEU . 59.8 Cg_endo -73.82 99.4 1.16 Allowed 'Trans proline' 0 C--N 1.301 -1.954 0 C-N-CA 123.876 3.05 . . . . 15.0 111.507 165.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.586 HD12 ' O ' ' B' ' 212' ' ' PRO . 4.2 mp -129.48 148.51 69.6 Favored Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 108.752 -0.833 . . . . 15.0 108.752 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.01 -9.75 23.88 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.977 2.451 . . . . 15.0 113.317 -175.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--O 1.254 1.34 0 CA-C-O 118.286 -0.864 . . . . 15.0 110.919 -176.71 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.461 HD12 ' HD2' ' A' ' 8' ' ' PRO . 48.0 tp . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.253 -0.277 . . . . 15.0 110.253 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.635 ' HB2' ' HD1' ' A' ' 11' ' ' TRP . 49.4 Cg_exo -56.56 132.5 52.17 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.043 2.496 . . . . 15.0 112.563 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 50.6 Cg_exo -54.12 -29.63 56.71 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.602 2.868 . . . . 15.0 113.385 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.63 -11.98 63.43 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.021 -0.609 . . . . 15.0 113.595 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.635 ' HD1' ' HB2' ' A' ' 8' ' ' PRO . 75.2 m95 -91.3 112.64 24.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.168 0.509 . . . . 15.0 110.467 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -98.72 147.15 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.811 -176.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.731 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 13.1 mmmm -89.95 99.3 12.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.095 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.554 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 40.1 ttm180 -113.42 150.19 33.1 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.383 -0.826 . . . . 15.0 109.194 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 ttm -89.68 137.33 32.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.291 0.567 . . . . 15.0 110.361 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 3.0 m -89.66 139.29 30.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.427 -0.806 . . . . 15.0 109.301 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.42 ' HD3' ' O2P' ' B' ' 210' ' ' SEP . 48.6 ttt180 -69.82 -68.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.963 -165.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.427 0.528 . . . . 15.0 112.427 -167.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 t -90.09 -19.79 23.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.883 0.327 . . . . 15.0 111.883 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.71 45.26 94.88 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.586 -0.816 . . . . 15.0 111.991 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -142.42 150.5 40.7 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.28 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 118.95 0.796 . . . . 15.0 111.558 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 12.1 p90 -129.83 150.65 51.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.522 -1.217 . . . . 15.0 108.604 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.731 ' CE2' ' HD3' ' A' ' 13' ' ' LYS . 71.9 m-85 -89.59 114.6 26.2 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.492 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 38.6 t80 -103.19 127.79 50.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.022 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.692 HD21 HG12 ' A' ' 28' ' ' ILE . 20.7 t-20 -124.77 128.0 48.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.165 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 7.4 p-80 -106.75 10.22 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.999 -0.68 . . . . 15.0 112.666 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.692 HG12 HD21 ' A' ' 26' ' ' ASN . 23.9 pt -80.56 -41.51 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 119.342 -0.943 . . . . 15.0 108.843 171.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.592 HG22 ' OD1' ' A' ' 26' ' ' ASN . 13.4 t -90.51 -16.56 28.65 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.51 -0.313 . . . . 15.0 110.424 166.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.596 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 13.6 t-20 58.5 60.16 2.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.911 0.862 . . . . 15.0 109.969 -176.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.9 150.05 45.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.789 -1.096 . . . . 15.0 109.527 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -115.79 123.23 47.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.362 -0.381 . . . . 15.0 110.591 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.465 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 31.1 mt-30 -120.22 108.64 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 15.0 112.238 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.695 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 17.0 m95 -69.8 -46.16 66.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 122.208 1.004 . . . . 15.0 108.378 168.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.965 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 0.9 OUTLIER -70.69 144.3 51.07 Favored 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 113.51 -1.677 . . . . 15.0 107.739 176.056 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -69.87 121.19 81.94 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -166.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.88 -30.05 83.38 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.415 2.743 . . . . 15.0 111.064 171.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 p -104.67 103.65 13.33 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.025 -0.989 . . . . 15.0 109.752 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.804 -0.998 . . . . 15.0 111.308 -174.903 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.9 -0.407 . . . . 15.0 109.9 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 7.4 mt -111.44 89.72 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 108.363 -0.977 . . . . 15.0 108.363 166.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.482 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.695 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 11.7 Cg_exo -74.89 138.7 23.68 Favored 'Trans proline' 0 C--N 1.304 -1.811 1 C-N-CA 126.508 4.805 . . . . 15.0 114.728 -175.524 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.504 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 52.2 Cg_endo -71.0 133.67 23.77 Favored 'Trans proline' 0 C--N 1.302 -1.876 0 C-N-CA 124.278 3.319 . . . . 15.0 109.812 158.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.758 ' H ' HD12 ' B' ' 213' ' ' LEU . 1.9 mp -70.32 143.75 91.18 Favored Pre-proline 0 CA--C 1.508 -0.659 0 CA-C-O 121.568 0.699 . . . . 15.0 109.388 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.965 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 50.5 Cg_exo -52.42 -9.78 0.66 Allowed 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 124.848 3.699 . . . . 15.0 114.231 -174.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.48 -0.772 . . . . 15.0 109.449 174.892 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.719 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 2.4 pp . . . . . 0 CA--C 1.555 1.137 0 N-CA-C 115.316 1.598 . . . . 15.0 115.316 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.719 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 1.4 Cg_endo -46.77 -39.71 24.12 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.207 1.938 . . . . 15.0 115.809 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 6.8 Cg_endo -50.32 -29.97 25.09 Favored 'Trans proline' 0 C--N 1.361 1.237 0 C-N-CA 122.475 2.117 . . . . 15.0 113.277 176.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -104.57 -43.59 1.68 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.761 -0.733 . . . . 15.0 111.77 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.924 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 68.6 m95 -94.15 110.15 21.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.87 0.367 . . . . 15.0 110.392 -178.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 89.7 mt-10 -89.97 146.13 24.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.84 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.786 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 36.1 mmtt -89.67 90.49 8.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.0 -0.741 . . . . 15.0 109.0 170.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -104.03 150.31 24.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.67 -1.15 . . . . 15.0 109.091 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.2 mtp -89.59 130.57 35.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.335 0.588 . . . . 15.0 110.506 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.1 p -89.95 142.87 27.29 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.129 -0.941 . . . . 15.0 108.856 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.615 ' HD3' ' O1P' ' B' ' 210' ' ' SEP . 17.1 ttt180 -69.37 -69.94 0.31 Allowed 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.903 1.377 . . . . 15.0 112.608 -163.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 p -70.01 -25.9 63.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.357 0.503 . . . . 15.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 t -90.11 -25.25 20.83 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.726 -0.39 . . . . 15.0 111.636 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.48 42.24 99.72 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.028 -0.606 . . . . 15.0 111.835 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -135.25 150.27 50.03 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.899 -0.177 . . . . 15.0 111.159 -170.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.786 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.7 m -89.54 107.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.268 1.032 . . . . 15.0 112.253 -173.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -100.05 150.81 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 15.0 109.226 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.924 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 11.6 m-85 -89.03 106.94 18.76 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.291 0.567 . . . . 15.0 110.326 -176.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.752 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 26.2 t80 -96.91 119.23 34.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.411 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.678 ' OD1' HG12 ' A' ' 28' ' ' ILE . 31.8 t30 -112.92 117.19 31.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.649 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.752 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.3 p80 -96.45 4.31 52.22 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.678 HG12 ' OD1' ' A' ' 26' ' ' ASN . 36.8 pt -77.81 -42.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 118.914 -1.114 . . . . 15.0 109.034 171.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.405 ' N ' HG13 ' A' ' 28' ' ' ILE . 14.6 t -90.4 -18.74 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.2 -0.454 . . . . 15.0 110.378 172.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 t30 65.93 60.26 0.68 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.956 0.884 . . . . 15.0 110.087 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.97 147.67 39.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 15.0 110.252 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -112.0 107.79 16.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.342 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.668 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.9 mm100 -113.6 114.43 26.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.405 0.622 . . . . 15.0 112.18 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.645 ' NE1' ' HB2' ' B' ' 211' ' ' PRO . 14.7 m95 -75.25 -23.96 57.56 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.271 1.034 . . . . 15.0 109.155 169.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.927 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 1.5 pp20? -92.04 140.67 29.42 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 113.509 -1.678 . . . . 15.0 108.292 -175.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.607 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -70.07 134.65 87.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 15.0 111.674 -168.399 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -68.74 -30.02 28.25 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.063 2.508 . . . . 15.0 111.512 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -129.19 117.37 20.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.452 -0.795 . . . . 15.0 109.378 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.631 -1.094 . . . . 15.0 111.892 -177.714 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 208' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 208' ' ' ARG . 67.4 mtt85 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.572 0.225 . . . . 15.0 110.569 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 4.4 mp -140.15 100.92 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.547 -0.538 . . . . 15.0 109.547 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.615 ' O1P' ' HD3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.645 ' HB2' ' NE1' ' A' ' 34' ' ' TRP . 16.5 Cg_exo -75.34 137.66 21.26 Favored 'Trans proline' 0 C--N 1.308 -1.603 1 C-N-CA 126.76 4.973 . . . . 15.0 115.073 -178.38 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.481 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 54.5 Cg_endo -70.69 139.25 36.58 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 124.782 3.655 . . . . 15.0 110.654 160.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.619 ' N ' HD12 ' B' ' 213' ' ' LEU . 0.9 OUTLIER -86.26 142.45 35.71 Favored Pre-proline 0 CA--C 1.507 -0.706 0 CA-C-O 121.915 0.864 . . . . 15.0 109.705 177.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.927 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 46.0 Cg_exo -56.92 -9.84 4.81 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 125.021 3.814 . . . . 15.0 113.762 -177.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 215' ' ' PHE . . . . . 0.411 ' HE1' ' HB3' ' A' ' 35' ' ' GLU . 83.6 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.812 -0.613 . . . . 15.0 110.261 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 7' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.1 -0.333 . . . . 15.0 110.1 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.12 148.98 66.03 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.06 2.507 . . . . 15.0 112.72 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -46.49 -29.63 7.54 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.887 3.058 . . . . 15.0 112.908 175.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -58.58 -9.89 7.24 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.685 -0.689 . . . . 15.0 114.032 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.804 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 70.3 m95 -89.84 108.21 19.57 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 117.645 0.723 . . . . 15.0 109.601 174.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.56 150.59 26.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.113 -172.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.968 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 17.4 mmtp -89.37 102.68 15.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.542 0.687 . . . . 15.0 109.303 172.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -113.81 150.6 33.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.406 -1.27 . . . . 15.0 109.215 -175.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 ttm -89.33 130.76 35.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 15.0 110.957 -170.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.551 ' HB2' ' H ' ' A' ' 21' ' ' ARG . 8.6 m -89.84 129.62 36.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.758 -1.11 . . . . 15.0 109.404 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -69.76 -44.09 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 15.0 112.944 -167.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 p -70.05 -70.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.249 0.463 . . . . 15.0 112.249 -172.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m -86.24 -9.68 56.05 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.215 0.45 . . . . 15.0 112.215 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 60.01 4.71 Favored Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.489 -0.862 . . . . 15.0 111.168 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.551 ' H ' ' HB2' ' A' ' 16' ' ' SER . 5.5 mmp_? -120.59 150.18 41.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.673 -0.264 . . . . 15.0 111.428 -170.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.968 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.6 93.52 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.517 0.675 . . . . 15.0 110.337 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -96.0 150.55 20.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.32 -0.854 . . . . 15.0 109.698 -177.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.804 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 1.7 m-85 -89.42 107.21 18.94 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.597 0.713 . . . . 15.0 109.87 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.676 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 48.7 t80 -99.49 122.34 42.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.854 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.548 HD21 HG12 ' A' ' 28' ' ' ILE . 17.8 t-20 -114.58 123.9 50.52 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.676 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.8 p80 -105.42 15.52 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.967 0.729 . . . . 15.0 112.967 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.548 HG12 HD21 ' A' ' 26' ' ' ASN . 22.3 pt -85.44 -45.61 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.274 -1.009 . . . . 15.0 108.274 169.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' HG13 ' A' ' 28' ' ' ILE . 62.1 p -90.33 -18.28 25.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.474 171.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 t30 75.73 20.12 1.88 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 124.025 0.828 . . . . 15.0 109.758 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.96 134.81 34.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.186 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -110.47 115.4 29.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.683 -0.689 . . . . 15.0 109.739 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HG3' ' HH2' ' A' ' 11' ' ' TRP . 27.9 mm-40 -124.49 111.17 15.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.806 0.298 . . . . 15.0 111.806 -173.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.685 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 11.6 m95 -70.77 -30.9 67.52 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.957 0.884 . . . . 15.0 109.236 171.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.588 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 11.1 pt-20 -90.71 148.88 22.3 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.994 -1.457 . . . . 15.0 108.262 -178.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -69.92 134.35 87.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 111.631 0.234 . . . . 15.0 111.631 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -50.67 -72.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.568 2.845 . . . . 15.0 111.606 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.5 m 69.98 -26.38 0.16 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.665 0.987 . . . . 15.0 113.665 172.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.914 0 CA-C-O 118.636 -1.091 . . . . 15.0 111.936 179.325 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.083 0.468 . . . . 15.0 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 33.0 mt -101.83 122.38 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.511 . . . . 15.0 109.858 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.53 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.685 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 18.0 Cg_exo -72.52 134.88 23.19 Favored 'Trans proline' 0 C--N 1.306 -1.66 1 C-N-CA 126.357 4.705 . . . . 15.0 114.563 -178.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 45.3 Cg_endo -69.77 135.26 29.97 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 124.553 3.502 . . . . 15.0 110.428 161.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.665 ' H ' HD12 ' B' ' 213' ' ' LEU . 1.5 mp -77.9 132.56 67.42 Favored Pre-proline 0 CA--C 1.513 -0.461 0 CA-C-O 121.692 0.758 . . . . 15.0 109.801 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.588 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 27.5 Cg_exo -59.44 -9.59 9.14 Favored 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 124.948 3.765 . . . . 15.0 114.991 -172.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 215' ' ' PHE . . . . . 0.566 ' H ' ' HD1' ' B' ' 215' ' ' PHE . 4.4 m-85 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.69 -0.671 . . . . 15.0 110.918 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.54 HD12 ' HD2' ' A' ' 8' ' ' PRO . 56.8 tp . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.946 -0.39 . . . . 15.0 109.946 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.54 ' HD2' HD12 ' A' ' 7' ' ' LEU . 53.1 Cg_exo -56.36 134.0 61.55 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.0 2.467 . . . . 15.0 112.323 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 -29.71 42.42 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.599 2.866 . . . . 15.0 113.112 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.63 -12.09 32.27 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.999 -0.546 . . . . 15.0 113.391 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.724 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 47.4 m95 -90.44 104.71 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.359 0.599 . . . . 15.0 109.91 173.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -92.29 145.98 24.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.349 -0.841 . . . . 15.0 110.338 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.828 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 1.5 mmpt? -89.96 96.08 10.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.766 0.793 . . . . 15.0 109.694 174.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -106.69 150.53 26.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.356 -1.293 . . . . 15.0 108.866 -174.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.6 mtp -89.59 135.31 33.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.991 0.901 . . . . 15.0 111.96 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.625 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 6.0 m -89.77 139.49 30.52 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 113.987 -1.46 . . . . 15.0 108.797 -178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -69.8 -69.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 15.0 112.931 -164.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -69.97 -36.49 75.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.084 0.402 . . . . 15.0 112.084 -168.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 m -90.29 -17.45 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.72 59.57 9.98 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.578 -0.82 . . . . 15.0 111.797 -174.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -134.21 150.32 51.05 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 122.905 -0.173 . . . . 15.0 111.092 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.828 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -89.46 107.56 18.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.707 0.765 . . . . 15.0 111.744 -176.295 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' HD2' ' OG ' ' A' ' 16' ' ' SER . 22.9 p90 -103.78 150.76 23.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.975 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.724 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 83.1 m-85 -89.21 111.3 22.07 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.791 -0.641 . . . . 15.0 109.706 -176.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.641 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 69.8 t80 -104.17 125.69 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.306 -0.861 . . . . 15.0 110.122 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' HG12 ' A' ' 28' ' ' ILE . 4.1 t-20 -124.56 107.14 10.73 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.641 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.5 p80 -85.87 -3.92 59.04 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.899 0.703 . . . . 15.0 112.899 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.557 HG12 ' ND2' ' A' ' 26' ' ' ASN . 25.5 pt -69.15 -46.52 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.4 -0.92 . . . . 15.0 109.187 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.557 ' N ' HG13 ' A' ' 28' ' ' ILE . 16.7 p -90.16 -12.07 39.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.123 172.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 62.04 60.13 1.56 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.494 -0.775 . . . . 15.0 109.944 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.58 148.86 51.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.459 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.521 ' HB2' ' HG3' ' B' ' 211' ' ' PRO . 23.4 p -125.9 119.15 27.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.053 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -135.86 108.88 7.66 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.694 0.628 . . . . 15.0 112.694 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 1.067 ' HB2' HD13 ' B' ' 213' ' ' LEU . 1.2 m0 -69.94 -28.33 65.48 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 107.081 -1.452 . . . . 15.0 107.081 170.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.563 ' HB3' ' HB2' ' B' ' 213' ' ' LEU . 11.4 pt-20 -77.63 150.48 34.62 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 112.647 -2.069 . . . . 15.0 108.499 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 36' ' ' ARG . 44.4 ttm180 -69.76 126.61 92.62 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.915 0.388 . . . . 15.0 111.894 -166.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 16.4 Cg_endo -61.04 -30.12 88.95 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.491 2.794 . . . . 15.0 112.894 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -154.95 111.87 3.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.191 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.544 -1.142 . . . . 15.0 110.96 177.137 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.599 0.238 . . . . 15.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.07 117.1 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.515 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.701 ' HB2' ' NE1' ' A' ' 34' ' ' TRP . 16.4 Cg_exo -73.72 138.98 27.25 Favored 'Trans proline' 0 C--N 1.312 -1.374 1 C-N-CA 127.133 5.222 . . . . 15.0 115.3 -176.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.5 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 56.3 Cg_endo -70.99 132.15 20.84 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 125.223 3.949 . . . . 15.0 114.097 164.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 1.067 HD13 ' HB2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -147.74 161.23 36.02 Favored Pre-proline 0 N--CA 1.472 0.638 0 N-CA-C 108.38 -0.97 . . . . 15.0 108.38 164.487 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' B' ' 213' ' ' LEU . 35.4 Cg_endo -67.98 -18.53 46.39 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 123.812 3.008 . . . . 15.0 115.37 -175.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 215' ' ' PHE . . . . . 0.79 ' H ' ' HG ' ' B' ' 213' ' ' LEU . 35.3 p90 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.263 -0.875 . . . . 15.0 111.668 -178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.4 tp . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.092 -0.336 . . . . 15.0 110.092 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.15 138.95 88.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 123.094 2.53 . . . . 15.0 112.798 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.82 -29.52 63.34 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.786 2.991 . . . . 15.0 113.015 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -57.56 -9.99 5.5 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 115.797 -0.638 . . . . 15.0 114.29 -178.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.699 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 78.9 m95 -89.65 105.11 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 15.0 110.215 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.06 144.17 26.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.06 -0.973 . . . . 15.0 109.858 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -89.93 104.77 17.31 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.441 -0.578 . . . . 15.0 109.441 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.902 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.16 149.93 43.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.187 -174.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -89.53 128.08 35.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.132 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.659 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 54.9 p -89.93 132.85 35.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.65 -0.704 . . . . 15.0 110.494 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 17' ' ' ARG . 13.9 ttp85 -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.224 -1.353 . . . . 15.0 112.871 -167.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.667 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 4.3 m -70.27 -69.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.735 0.302 . . . . 15.0 111.497 -174.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -89.32 -10.09 48.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.966 0.358 . . . . 15.0 111.966 -172.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.47 53.62 16.27 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.253 -1.139 . . . . 15.0 110.253 -172.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -126.86 150.41 49.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.06 -0.57 . . . . 15.0 110.143 -168.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 m -89.14 110.25 21.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.851 0.834 . . . . 15.0 109.77 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.861 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 6.5 p90 -113.58 150.27 33.29 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.561 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.699 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 61.2 m-85 -89.64 114.99 26.69 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.074 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.9 t80 -100.89 111.71 23.98 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.118 -0.364 . . . . 15.0 110.399 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.685 ' OD1' HG12 ' A' ' 28' ' ' ILE . 30.4 t30 -108.46 121.12 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.783 0.325 . . . . 15.0 110.703 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 3.2 p80 -97.82 -4.17 37.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.04 0.755 . . . . 15.0 113.04 -175.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.685 HG12 ' OD1' ' A' ' 26' ' ' ASN . 40.6 pt -70.71 -42.27 77.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.237 -0.985 . . . . 15.0 109.201 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 31' ' ' ALA . 9.9 t -90.3 -15.26 31.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.277 -0.42 . . . . 15.0 109.943 168.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.66 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 2.7 t30 67.61 18.37 9.92 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.626 0.77 . . . . 15.0 110.417 -178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.731 ' H ' HG23 ' A' ' 29' ' ' THR . . . -100.6 125.26 46.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.478 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 p -89.88 126.18 35.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.3 mm-40 -128.49 110.12 12.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.631 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.899 ' HB2' HD13 ' B' ' 213' ' ' LEU . 9.6 m0 -75.04 -22.49 58.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.638 -1.245 . . . . 15.0 107.638 172.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -90.14 158.01 17.47 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 112.615 -2.084 . . . . 15.0 108.731 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 79.1 mtt180 -69.69 130.99 89.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.363 -0.211 . . . . 15.0 111.568 -168.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.6 Cg_exo -63.37 -36.02 58.24 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.841 2.36 . . . . 15.0 113.12 -176.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -121.49 123.83 42.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.405 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.545 -1.141 . . . . 15.0 111.258 176.843 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.702 0.287 . . . . 15.0 110.793 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 23.2 mt -83.69 128.29 38.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.859 -0.423 . . . . 15.0 109.859 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.522 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.675 ' HB2' ' NE1' ' A' ' 34' ' ' TRP . 16.8 Cg_exo -74.45 136.9 22.28 Favored 'Trans proline' 0 C--N 1.314 -1.257 1 C-N-CA 127.083 5.189 . . . . 15.0 115.445 -177.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.538 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 72.1 Cg_endo -75.61 124.09 8.0 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 125.17 3.913 . . . . 15.0 113.779 162.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.899 HD13 ' HB2' ' A' ' 34' ' ' TRP . 1.4 pt? -119.99 171.5 5.56 Favored Pre-proline 0 N--CA 1.476 0.863 0 N-CA-C 107.853 -1.166 . . . . 15.0 107.853 162.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.798 ' HD2' ' HB2' ' B' ' 213' ' ' LEU . 21.9 Cg_endo -61.98 -9.79 15.6 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 124.49 3.46 . . . . 15.0 115.259 -176.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 215' ' ' PHE . . . . . 0.768 ' H ' ' HG ' ' B' ' 213' ' ' LEU . 14.1 p90 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.097 -0.954 . . . . 15.0 111.543 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.731 ' HB2' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 115.863 1.801 . . . . 15.0 115.863 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.688 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 5.4 Cg_endo -48.48 -37.88 34.25 Favored 'Trans proline' 0 C--N 1.373 1.866 0 CA-C-N 122.149 1.803 . . . . 15.0 115.903 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 9.5 Cg_endo -52.8 -29.82 44.33 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 122.234 1.956 . . . . 15.0 113.392 177.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -108.69 -42.03 1.39 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.539 -0.839 . . . . 15.0 112.185 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.731 ' CD1' ' HB2' ' A' ' 7' ' ' LEU . 45.8 m95 -90.63 110.83 21.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.061 0.458 . . . . 15.0 110.386 -177.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -89.77 142.65 27.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 15.0 110.326 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.86 97.71 11.35 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.61 -0.515 . . . . 15.0 109.61 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.522 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 44.2 ttm180 -116.85 150.23 38.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.642 -175.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.8 ttt -89.7 128.44 36.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 15.0 110.164 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.488 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 24.0 p -89.83 147.55 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.424 -0.807 . . . . 15.0 109.543 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.672 ' HB3' ' O3P' ' B' ' 210' ' ' SEP . 74.4 ttt180 -69.84 -70.44 0.29 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.21 -1.359 . . . . 15.0 113.581 -159.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.2 m -69.81 -37.77 76.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 15.0 112.482 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.71 -13.3 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.439 0.533 . . . . 15.0 112.439 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.65 51.24 59.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.758 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.587 ' HD2' ' HZ3' ' A' ' 34' ' ' TRP . 84.6 mtt180 -125.73 150.13 47.96 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.466 0.174 . . . . 15.0 111.23 -171.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 m -89.43 101.5 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.917 0.865 . . . . 15.0 110.877 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 19.1 p90 -104.58 150.29 24.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.886 -1.052 . . . . 15.0 109.701 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.552 ' CB ' ' HE3' ' A' ' 11' ' ' TRP . 38.2 m-85 -89.89 104.9 17.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.165 -0.471 . . . . 15.0 110.103 -177.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -89.96 108.92 20.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.673 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.7 t30 -102.35 116.35 32.45 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.083 -0.385 . . . . 15.0 110.643 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -93.98 -5.5 47.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.213 0.82 . . . . 15.0 113.213 -174.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.673 HG12 ' OD1' ' A' ' 26' ' ' ASN . 29.9 pt -73.02 -38.43 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 119.038 -1.065 . . . . 15.0 108.806 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -90.27 -18.45 25.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.053 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 66.3 t30 71.5 10.72 6.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.585 0.754 . . . . 15.0 109.935 -176.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.05 130.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 15.0 110.753 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.6 m -95.99 105.69 17.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.134 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.6 mm100 -108.8 149.68 28.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.046 0.451 . . . . 15.0 111.175 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.651 ' NE1' ' HB2' ' B' ' 211' ' ' PRO . 13.3 m95 -106.68 -31.98 8.21 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 122.008 0.909 . . . . 15.0 109.429 176.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' CD ' ' HG2' ' B' ' 214' ' ' PRO . 6.8 pm0 -87.68 147.5 25.21 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 113.466 -1.697 . . . . 15.0 108.682 -171.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -69.84 134.22 88.05 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 116.294 -0.412 . . . . 15.0 112.094 -167.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -73.02 -83.27 0.0 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.967 2.445 . . . . 15.0 110.556 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -142.32 94.95 2.72 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.562 -0.903 . . . . 15.0 108.562 171.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.083 0 CA-C-O 118.519 -1.156 . . . . 15.0 111.793 -177.259 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 208' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' B' ' 208' ' ' ARG . 2.2 mpt_? . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.773 0.321 . . . . 15.0 110.257 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 4.1 mp -105.67 108.46 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.163 -0.471 . . . . 15.0 109.81 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.672 ' O3P' ' HB3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.651 ' HB2' ' NE1' ' A' ' 34' ' ' TRP . 16.8 Cg_exo -74.74 139.16 24.68 Favored 'Trans proline' 0 C--N 1.31 -1.483 1 C-N-CA 126.875 5.05 . . . . 15.0 115.224 -178.782 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.494 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 53.2 Cg_endo -71.3 132.78 21.48 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 124.886 3.724 . . . . 15.0 111.152 160.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.666 ' H ' HD12 ' B' ' 213' ' ' LEU . 1.1 mp -79.33 138.6 55.7 Favored Pre-proline 0 CA--C 1.507 -0.709 0 CA-C-O 121.827 0.822 . . . . 15.0 109.634 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' B' ' 213' ' ' LEU . 32.1 Cg_exo -58.94 -9.81 8.55 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 124.684 3.59 . . . . 15.0 113.962 -175.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 215' ' ' PHE . . . . . 0.489 ' HE1' ' HB3' ' A' ' 35' ' ' GLU . 14.9 p90 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 118.231 -0.89 . . . . 15.0 110.094 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HB2' ' CD ' ' A' ' 8' ' ' PRO . 89.3 mt . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 119.254 -0.403 . . . . 15.0 111.66 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.506 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 3.3 Cg_endo -42.17 -46.22 7.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 123.838 3.025 . . . . 15.0 116.075 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 11.9 Cg_endo -54.17 -31.02 63.79 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.259 1.973 . . . . 15.0 113.577 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -110.12 -41.86 1.24 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.618 -0.801 . . . . 15.0 112.707 -178.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.606 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 65.6 m95 -90.03 104.09 16.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.059 0.457 . . . . 15.0 111.002 -174.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.34 141.83 28.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.496 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.56 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.7 mtpt -89.88 100.83 13.57 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 122.338 1.066 . . . . 15.0 109.921 174.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.676 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 3.0 tpm_? -110.05 150.51 28.45 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.286 -1.779 . . . . 15.0 108.827 -173.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.37 121.57 31.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.394 0.616 . . . . 15.0 110.192 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.64 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 29.5 p -90.01 137.56 32.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.675 -176.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 53.1 ttt180 -70.0 -26.23 63.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.632 -1.167 . . . . 15.0 113.429 -169.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.725 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 48.1 t -70.31 -70.13 0.31 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.391 -172.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -10.26 44.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.53 55.77 8.27 Favored Glycine 0 N--CA 1.452 -0.245 0 N-CA-C 110.503 -1.039 . . . . 15.0 110.503 -172.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -132.85 150.63 52.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.407 -0.396 . . . . 15.0 110.574 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.56 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -89.37 97.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 122.219 1.009 . . . . 15.0 110.232 -178.294 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.64 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 17.9 p90 -89.95 150.78 22.01 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.487 -1.688 . . . . 15.0 108.782 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 94.9 m-85 -88.96 103.35 15.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.634 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 39.5 t80 -96.57 118.34 32.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.359 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.699 ' OD1' HG12 ' A' ' 28' ' ' ILE . 34.5 t30 -114.65 113.63 24.6 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.556 0.217 . . . . 15.0 110.889 -177.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.598 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.5 p80 -92.7 2.9 56.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.749 0.648 . . . . 15.0 112.749 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.699 HG12 ' OD1' ' A' ' 26' ' ' ASN . 31.7 pt -74.95 -43.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.883 -1.127 . . . . 15.0 108.856 172.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 31' ' ' ALA . 9.6 t -90.53 -13.78 33.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.447 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.8 t30 68.39 18.28 9.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.618 0.767 . . . . 15.0 110.73 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.685 ' H ' HG23 ' A' ' 29' ' ' THR . . . -98.61 148.39 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.91 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 p -116.17 118.23 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.602 . . . . 15.0 110.78 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.592 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 65.9 mm-40 -117.59 110.4 17.87 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.749 0.277 . . . . 15.0 111.749 -175.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.725 ' HH2' ' HB3' ' A' ' 18' ' ' SER . 18.6 m95 -69.93 -38.47 76.23 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 122.074 0.94 . . . . 15.0 108.855 171.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.591 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 5.2 pt-20 -88.16 157.42 18.83 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 113.749 -1.568 . . . . 15.0 108.119 -177.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 47.7 mtp180 -69.68 135.77 88.06 Favored Pre-proline 0 N--CA 1.466 0.331 0 N-CA-C 112.8 0.667 . . . . 15.0 112.8 -163.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 22.7 Cg_exo -62.36 -29.96 80.14 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.298 2.666 . . . . 15.0 113.155 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 p -107.68 5.56 26.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.798 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.917 -0.935 . . . . 15.0 112.073 -178.476 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 108.473 -0.936 . . . . 15.0 108.473 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.33 89.48 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 108.301 -1.0 . . . . 15.0 108.301 166.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 210' ' ' SEP . . . . . 0.521 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.723 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 9.9 Cg_exo -77.77 141.81 19.68 Favored 'Trans proline' 0 C--N 1.302 -1.909 1 C-N-CA 126.684 4.922 . . . . 15.0 114.458 -176.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 212' ' ' PRO . . . . . 0.483 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 56.1 Cg_endo -71.55 138.47 32.4 Favored 'Trans proline' 0 C--N 1.302 -1.892 0 C-N-CA 124.51 3.473 . . . . 15.0 109.829 157.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 213' ' ' LEU . . . . . 0.707 ' H ' HD12 ' B' ' 213' ' ' LEU . 1.8 mp -74.64 138.56 73.93 Favored Pre-proline 0 CA--C 1.51 -0.582 0 CA-C-O 121.643 0.735 . . . . 15.0 109.217 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 214' ' ' PRO . . . . . 0.591 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 31.4 Cg_exo -55.44 -9.87 2.89 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 125.174 3.916 . . . . 15.0 114.405 -172.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 215' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 44.2 m-85 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.727 -0.654 . . . . 15.0 110.42 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.649 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 74.7 m95 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.996 0.427 . . . . 15.0 110.426 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -104.56 150.02 24.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.045 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -97.54 113.11 24.75 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.856 0.836 . . . . 15.0 109.816 172.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -125.66 150.61 47.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.164 -1.38 . . . . 15.0 109.241 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.4 mtt -89.33 124.1 34.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.609 0.719 . . . . 15.0 110.99 -173.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.657 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 25.9 p -90.17 150.07 22.16 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.02 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -69.62 -57.49 5.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.009 -1.45 . . . . 15.0 113.643 -165.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.8 p -69.62 -53.96 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.134 0.791 . . . . 15.0 113.134 -166.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.592 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 38.5 t -89.74 -10.2 46.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.237 . . . . 15.0 111.373 -175.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 57.2 18.4 Favored Glycine 0 C--N 1.333 0.389 0 N-CA-C 110.036 -1.226 . . . . 15.0 110.036 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -121.94 150.18 42.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.096 -0.552 . . . . 15.0 110.478 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 m -89.47 95.62 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.733 0.778 . . . . 15.0 110.158 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.657 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 14.0 p90 -99.55 150.37 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.977 -1.011 . . . . 15.0 109.997 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.477 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 45.7 m-85 -89.66 115.32 26.95 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.556 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.683 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 44.2 t80 -110.91 128.07 55.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.671 ' OD1' HG12 ' A' ' 28' ' ' ILE . 26.6 t30 -122.76 124.16 42.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.592 -0.276 . . . . 15.0 110.654 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.683 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.4 p80 -97.58 -3.66 39.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.673 0.62 . . . . 15.0 112.673 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.671 HG12 ' OD1' ' A' ' 26' ' ' ASN . 23.6 pt -79.73 -41.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.534 -0.866 . . . . 15.0 109.144 174.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 m -90.29 -17.6 27.11 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.656 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 t30 67.58 18.09 9.95 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.763 0.792 . . . . 15.0 109.583 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.06 150.1 20.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.613 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 t -132.32 125.98 32.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.217 -0.447 . . . . 15.0 109.948 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 46.5 mt-30 -132.06 112.17 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.924 -175.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.592 ' HZ3' ' HB3' ' A' ' 19' ' ' SER . 13.2 m95 -69.67 -37.95 76.89 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 122.044 0.926 . . . . 15.0 108.839 169.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 1.3 pt-20 -80.12 156.25 27.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.824 -1.535 . . . . 15.0 107.776 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -69.75 125.96 92.27 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.408 . . . . 15.0 111.52 -167.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo . . . . . 0 C--N 1.352 0.711 0 C-N-CA 123.921 3.081 . . . . 15.0 113.457 -175.494 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.6 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.982 -0.377 . . . . 15.0 109.982 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.87 150.17 22.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.613 0.721 . . . . 15.0 111.385 -171.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.68 ' CE ' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -89.89 104.25 16.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.325 -0.852 . . . . 15.0 110.466 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.547 ' HD3' ' H ' ' A' ' 15' ' ' MET . 17.1 tpp180 -124.56 150.24 46.11 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.162 -1.381 . . . . 15.0 108.292 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.547 ' H ' ' HD3' ' A' ' 14' ' ' ARG . 2.0 mpt? -89.52 130.66 35.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.432 0.634 . . . . 15.0 110.94 -171.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.791 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 82.6 p -89.89 135.36 33.68 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.001 -0.999 . . . . 15.0 109.97 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -74.89 -31.07 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.535 -165.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.545 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 38.5 t -78.02 -64.79 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.21 -175.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 m -87.04 -9.97 54.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.314 0.486 . . . . 15.0 112.314 -173.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.92 54.38 25.2 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.161 -1.176 . . . . 15.0 110.161 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.515 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 4.8 mmp_? -131.6 150.8 52.02 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 114.935 -0.632 . . . . 15.0 110.619 -168.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.68 ' HB ' ' CE ' ' A' ' 13' ' ' LYS . 2.9 m -88.95 94.49 4.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 122.486 1.136 . . . . 15.0 110.406 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 9.1 p90 -89.83 150.57 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 113.863 -1.517 . . . . 15.0 108.952 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -89.24 110.34 21.12 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.154 0.502 . . . . 15.0 109.648 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.587 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 38.5 t80 -108.92 130.71 55.45 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.583 -0.735 . . . . 15.0 109.608 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.585 ' CG ' HG12 ' A' ' 28' ' ' ILE . 40.8 t-20 -129.65 127.0 39.68 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.5 -0.48 . . . . 15.0 110.155 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.587 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.9 p80 -91.16 0.48 57.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.585 HG12 ' CG ' ' A' ' 26' ' ' ASN . 17.3 pt -75.87 -42.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 108.937 -0.764 . . . . 15.0 108.937 171.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.525 ' N ' HG13 ' A' ' 28' ' ' ILE . 9.4 p -90.36 -20.76 22.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.388 -0.824 . . . . 15.0 111.398 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 71.7 13.09 6.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.123 0.963 . . . . 15.0 109.212 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 141.04 29.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.277 -0.874 . . . . 15.0 111.249 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -120.17 109.49 15.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.551 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.559 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 5.8 mt-30 -123.5 106.06 10.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.392 0.515 . . . . 15.0 112.392 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.791 ' CZ2' ' HB2' ' A' ' 16' ' ' SER . 7.1 m0 -74.57 -27.22 60.4 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.113 -1.069 . . . . 15.0 108.113 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -95.1 147.71 23.14 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.731 -1.577 . . . . 15.0 106.933 178.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.1 mpp_? -69.7 126.24 92.43 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.873 0.694 . . . . 15.0 112.873 -162.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 67.6 Cg_exo . . . . . 0 C--N 1.354 0.84 0 C-N-CA 124.075 3.183 . . . . 15.0 112.826 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.712 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 71.3 m95 . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 121.184 0.516 . . . . 15.0 110.295 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -96.24 150.12 20.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.3 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 1.3 mmpt? -93.41 103.42 15.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.437 0.637 . . . . 15.0 110.48 176.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -120.28 150.2 41.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.579 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.5 ptp -89.74 130.24 36.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.713 0.768 . . . . 15.0 110.839 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 23.2 p -89.91 131.75 35.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.876 -1.056 . . . . 15.0 109.851 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 17' ' ' ARG . 48.4 ttt-85 -69.97 -25.49 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.25 -0.886 . . . . 15.0 113.048 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.583 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 15.3 m -69.81 -70.17 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.732 0.301 . . . . 15.0 111.392 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 m -90.03 -9.89 46.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.679 0.251 . . . . 15.0 111.679 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.18 50.72 21.06 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.85 -0.9 . . . . 15.0 110.85 -174.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.514 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 5.0 mmp_? -122.87 150.48 42.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.47 -0.365 . . . . 15.0 110.805 -172.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.407 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -89.2 91.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.809 0.814 . . . . 15.0 110.873 -176.139 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 17.1 p90 -90.03 150.8 21.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.185 -1.37 . . . . 15.0 109.369 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.66 111.59 22.59 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.196 0.522 . . . . 15.0 109.672 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.609 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 16.1 t80 -97.59 119.41 36.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.019 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.783 HD21 HG12 ' A' ' 28' ' ' ILE . 21.7 t-20 -108.15 135.15 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 122.219 -0.301 . . . . 15.0 110.462 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.609 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.8 p80 -111.84 5.11 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.783 HG12 HD21 ' A' ' 26' ' ' ASN . 36.2 pt -81.93 -41.34 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 119.573 -0.851 . . . . 15.0 108.757 172.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 m -90.13 -22.81 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.675 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.6 t30 73.81 25.96 1.89 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.095 -0.957 . . . . 15.0 109.849 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 136.74 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.261 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.0 m -106.09 114.73 29.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.848 -0.615 . . . . 15.0 110.243 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.411 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 17.3 mm-40 -122.24 124.06 42.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.904 0.705 . . . . 15.0 112.904 -171.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.583 ' HH2' ' HB2' ' A' ' 18' ' ' SER . 21.4 m95 -80.13 -56.47 4.2 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.862 0.839 . . . . 15.0 109.459 170.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.82 159.21 34.71 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.895 -1.502 . . . . 15.0 108.479 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -69.56 117.03 49.04 Favored Pre-proline 0 N--CA 1.466 0.363 0 N-CA-C 112.408 0.522 . . . . 15.0 112.408 -163.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo . . . . . 0 C--N 1.349 0.554 0 C-N-CA 123.888 3.059 . . . . 15.0 113.296 -178.131 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.657 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 38.5 m95 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 121.344 0.592 . . . . 15.0 110.554 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -89.69 142.24 27.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.715 -173.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -89.94 94.93 10.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.857 0.837 . . . . 15.0 110.01 170.659 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -116.45 150.48 37.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.095 -1.411 . . . . 15.0 109.097 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -89.38 136.73 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.476 0.655 . . . . 15.0 110.454 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.601 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 16.1 m -89.87 134.86 33.97 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.659 -1.155 . . . . 15.0 109.028 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 17' ' ' ARG . 42.3 ttt-85 -69.5 -70.08 0.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.82 1.325 . . . . 15.0 113.269 -160.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 m -71.55 -42.02 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -171.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 t -90.27 -15.02 32.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.448 0.536 . . . . 15.0 112.448 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.08 6.33 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.353 -0.927 . . . . 15.0 112.152 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.577 ' H ' ' HB2' ' A' ' 16' ' ' SER . 90.2 mtt180 -124.91 150.33 46.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 122.75 -0.264 . . . . 15.0 111.211 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.701 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 2.5 m -89.47 89.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.281 -0.887 . . . . 15.0 110.469 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.666 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 8.6 p90 -93.49 148.91 21.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 15.0 109.776 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.401 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 73.4 m-85 -91.55 108.56 19.98 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.865 0.364 . . . . 15.0 110.461 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.652 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 8.5 t80 -93.68 119.22 32.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.727 0.299 . . . . 15.0 110.202 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.866 HD21 HG12 ' A' ' 28' ' ' ILE . 18.8 t-20 -105.37 132.67 51.27 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 122.005 -0.434 . . . . 15.0 110.399 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.652 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.4 p80 -108.76 -2.35 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.866 HG12 HD21 ' A' ' 26' ' ' ASN . 49.4 pt -75.56 -44.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 119.347 -0.941 . . . . 15.0 109.081 174.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 28' ' ' ILE . 8.4 m -90.32 -14.17 33.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.403 170.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 3.7 t-20 68.99 22.82 6.84 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.752 0.787 . . . . 15.0 109.985 -177.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.18 125.14 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.111 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.9 m -95.52 109.62 21.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.07 -0.513 . . . . 15.0 110.293 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.657 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 45.2 mt-30 -113.35 141.0 47.57 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 120.954 0.407 . . . . 15.0 111.468 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.666 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 13.6 m0 -104.85 -27.85 11.49 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 122.501 1.144 . . . . 15.0 108.162 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -83.21 153.66 24.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 112.636 -2.075 . . . . 15.0 108.062 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' HD2' HH11 ' A' ' 36' ' ' ARG . 29.3 ttm180 -69.66 122.67 86.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 15.0 111.228 -168.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo . . . . . 0 C--N 1.345 0.368 0 C-N-CA 123.863 3.042 . . . . 15.0 114.305 -170.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.601 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 15.9 m95 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.76 0.314 . . . . 15.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.813 ' HG2' ' O ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.84 146.45 24.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.298 0.571 . . . . 15.0 111.487 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.773 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 42.6 mmtt -89.79 105.74 18.0 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.686 0.755 . . . . 15.0 109.046 172.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -117.71 150.0 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.576 -1.193 . . . . 15.0 108.94 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.51 134.15 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.541 0.686 . . . . 15.0 112.139 -168.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.56 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 15.0 m -89.78 129.08 36.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.549 -1.205 . . . . 15.0 108.041 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -69.56 -70.25 0.29 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.121 0.888 . . . . 15.0 112.702 -164.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.0 p -70.19 -30.38 67.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.485 0.55 . . . . 15.0 112.485 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 p -90.18 -20.61 22.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.567 0.58 . . . . 15.0 112.567 -175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.07 48.37 76.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.562 -0.827 . . . . 15.0 111.324 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.466 ' H ' ' HB2' ' A' ' 16' ' ' SER . 36.4 mtp180 -117.0 150.12 39.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 120.7 0.285 . . . . 15.0 111.414 -173.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.719 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -89.89 90.21 3.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.445 -0.502 . . . . 15.0 110.76 173.587 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.7 p90 -89.89 150.18 22.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.773 ' CE1' ' HE2' ' A' ' 13' ' ' LYS . 57.4 m-85 -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.261 0.553 . . . . 15.0 110.531 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.813 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.6 t80 -100.58 143.37 30.83 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.372 -1.344 . . . . 15.0 107.372 173.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.639 ' OD1' HG12 ' A' ' 28' ' ' ILE . 1.2 t-20 -150.11 115.22 5.39 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.942 -0.703 . . . . 15.0 110.747 170.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.76 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 2.8 p80 -84.43 3.27 36.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -175.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.639 HG12 ' OD1' ' A' ' 26' ' ' ASN . 17.1 pt -70.4 -40.61 77.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.352 -0.981 . . . . 15.0 108.352 170.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 28' ' ' ILE . 18.6 m -90.23 -21.15 22.27 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.655 169.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.76 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.7 t-20 72.47 14.62 5.26 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.009 -0.996 . . . . 15.0 109.611 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 150.04 21.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.909 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 t -117.71 107.99 14.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.852 -0.796 . . . . 15.0 108.852 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -124.23 100.59 6.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.458 0.647 . . . . 15.0 112.461 -169.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.584 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 10.0 m0 -70.08 -40.11 75.21 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 107.873 -1.158 . . . . 15.0 107.873 166.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.05 143.98 52.32 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 112.801 -2.0 . . . . 15.0 108.083 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -69.74 126.63 92.64 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -163.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 C--N 1.357 0.994 0 C-N-CA 123.162 2.575 . . . . 15.0 111.842 178.639 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.537 ' CE3' ' HB3' ' A' ' 24' ' ' TYR . 83.8 m95 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.972 0.415 . . . . 15.0 109.922 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -114.65 139.84 49.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 15.0 109.529 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 2.0 mtpm? -89.73 98.16 11.61 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 122.262 1.03 . . . . 15.0 109.707 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.03 150.46 25.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.259 -1.792 . . . . 15.0 109.277 -170.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.4 mtm -89.51 125.93 35.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.985 0.422 . . . . 15.0 110.333 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.5 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 34.7 p -89.81 131.44 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.229 -178.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -69.93 -37.41 75.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.413 -1.267 . . . . 15.0 112.881 -169.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -69.9 -63.99 0.97 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 112.239 0.459 . . . . 15.0 112.239 -171.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.58 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 8.2 t -89.98 -10.31 45.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.78 59.89 5.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.536 -0.84 . . . . 15.0 111.314 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -136.2 150.16 48.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.704 0.288 . . . . 15.0 110.549 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 m -89.42 101.23 11.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.694 0.759 . . . . 15.0 110.26 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.936 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 15.2 p90 -103.82 150.47 24.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.744 -1.116 . . . . 15.0 109.782 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.537 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 59.9 m-85 -89.09 101.05 13.71 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.356 0.598 . . . . 15.0 109.691 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.75 ' HE1' ' HD2' ' A' ' 27' ' ' HIS . 18.9 t80 -92.01 120.46 32.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.289 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.482 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.0 p30 -114.14 127.15 55.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.301 -0.56 . . . . 15.0 109.627 178.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.75 ' HD2' ' HE1' ' A' ' 25' ' ' PHE . 2.2 p80 -101.7 8.98 41.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.681 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -72.1 -50.29 37.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.585 -1.265 . . . . 15.0 107.585 170.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 m -90.0 -19.24 24.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.647 -1.16 . . . . 15.0 110.072 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.5 t-20 74.63 16.99 3.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.867 0.841 . . . . 15.0 109.63 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.22 139.04 31.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.31 -0.859 . . . . 15.0 110.839 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -104.11 111.28 23.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -117.54 110.06 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.902 0.382 . . . . 15.0 111.951 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.936 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 14.3 m95 -69.93 -37.29 75.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.099 0.952 . . . . 15.0 109.041 170.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -74.9 148.41 40.13 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 113.395 -1.73 . . . . 15.0 108.497 -178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -69.51 129.38 91.57 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.588 -167.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo . . . . . 0 C--N 1.356 0.952 0 C-N-CA 123.83 3.02 . . . . 15.0 112.811 -176.172 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.725 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 75.2 m95 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.428 0.632 . . . . 15.0 109.658 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 4.0 mm-40 -89.93 147.71 23.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.742 -174.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -97.75 98.87 10.22 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.539 0.685 . . . . 15.0 109.646 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -115.52 150.59 36.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.864 -1.062 . . . . 15.0 109.869 -171.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -89.51 130.49 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.532 0.682 . . . . 15.0 109.724 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.718 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 m -89.76 124.26 34.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.733 -1.121 . . . . 15.0 110.753 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -69.93 -27.94 65.18 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 125.141 1.526 . . . . 15.0 113.189 -169.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.519 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 7.9 t -85.18 -68.27 0.74 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 111.462 -172.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.485 ' HB3' ' HG2' ' A' ' 21' ' ' ARG . 20.2 t -89.85 -9.82 47.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.819 0.303 . . . . 15.0 111.819 -172.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.12 60.19 3.17 Favored Glycine 0 C--O 1.227 -0.285 0 N-CA-C 110.413 -1.075 . . . . 15.0 110.413 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.574 ' H ' ' HB2' ' A' ' 16' ' ' SER . 22.3 mmt180 -124.74 150.96 45.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.346 -0.427 . . . . 15.0 112.039 -167.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.42 92.1 3.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.083 -1.081 . . . . 15.0 108.083 172.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' HD1' ' HG ' ' A' ' 16' ' ' SER . 9.3 p90 -95.84 143.88 26.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.238 0.542 . . . . 15.0 109.888 -175.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.523 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 59.4 m-85 -89.96 103.99 16.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.298 -0.865 . . . . 15.0 109.355 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.791 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 39.2 t80 -90.83 112.25 23.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.815 -0.439 . . . . 15.0 109.815 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.693 HD21 HG12 ' A' ' 28' ' ' ILE . 18.6 t-20 -104.28 125.94 50.96 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 122.165 -0.334 . . . . 15.0 110.443 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.791 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.0 p80 -106.37 14.82 26.86 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.102 0.779 . . . . 15.0 113.102 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.693 HG12 HD21 ' A' ' 26' ' ' ASN . 36.9 pt -83.01 -47.99 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 118.956 -1.097 . . . . 15.0 108.73 171.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.538 HG22 ' OD1' ' A' ' 26' ' ' ASN . 8.9 t -90.43 -11.25 40.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.97 170.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 60.17 60.14 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.895 0.855 . . . . 15.0 109.789 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.53 124.67 25.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.092 -0.958 . . . . 15.0 109.867 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -95.08 116.2 28.4 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.244 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.725 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 25.2 mm-40 -121.03 102.52 8.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 15.0 112.356 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.718 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.4 m0 -70.14 -42.14 72.94 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 107.762 -1.199 . . . . 15.0 107.762 169.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.29 154.0 42.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 112.706 -2.043 . . . . 15.0 108.151 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 30.2 ttt180 -69.82 127.66 92.38 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-O 120.665 0.269 . . . . 15.0 111.281 -165.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 51.7 Cg_exo . . . . . 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 15.0 111.603 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.739 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 52.9 m95 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 121.28 0.562 . . . . 15.0 109.905 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.28 150.49 23.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.876 -173.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HE3' ' HE1' ' A' ' 24' ' ' TYR . 15.7 mmtp -89.64 106.59 18.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.564 0.697 . . . . 15.0 110.354 176.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -128.46 147.59 50.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.811 -1.086 . . . . 15.0 108.555 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.7 ttp -91.32 139.19 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.161 0.505 . . . . 15.0 111.157 -176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.419 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 40.8 p -89.69 145.18 25.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.233 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.5 ttp85 -69.82 -70.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.449 -1.25 . . . . 15.0 113.834 -157.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -79.69 -19.06 49.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 15.0 111.913 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -24.69 20.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.293 -0.412 . . . . 15.0 112.095 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.79 45.92 95.23 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.244 -174.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -123.79 150.64 44.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.55 -0.325 . . . . 15.0 111.104 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 m -89.34 111.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.782 0.801 . . . . 15.0 110.32 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.675 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -113.47 150.63 32.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 15.0 109.494 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.739 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 51.8 m-85 -89.52 103.09 15.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.967 -0.383 . . . . 15.0 109.967 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.664 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.4 t80 -89.93 115.38 27.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.213 0.53 . . . . 15.0 109.975 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.589 HD21 ' HB ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -103.76 133.78 48.18 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.664 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 8.9 p80 -117.05 4.36 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.119 -0.632 . . . . 15.0 112.317 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.812 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -72.66 -44.64 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.561 -0.903 . . . . 15.0 108.561 172.288 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.589 ' HB ' HD21 ' A' ' 26' ' ' ASN . 5.2 m -90.3 -20.17 23.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.494 -0.775 . . . . 15.0 110.047 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 15.1 t30 64.44 60.11 0.95 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.48 1.133 . . . . 15.0 109.255 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.59 123.35 23.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.142 -1.39 . . . . 15.0 109.157 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -89.88 98.92 12.05 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.014 0.435 . . . . 15.0 109.939 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.8 mm100 -110.37 105.4 14.38 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 112.453 0.538 . . . . 15.0 112.453 -169.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.675 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 9.7 m0 -69.72 -38.46 76.9 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 107.738 -1.208 . . . . 15.0 107.738 169.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.62 119.1 16.37 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 113.018 -1.901 . . . . 15.0 108.199 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -69.93 148.37 96.26 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.709 . . . . 15.0 112.544 -165.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--N 1.349 0.59 0 C-N-CA 123.314 2.676 . . . . 15.0 112.303 178.317 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.751 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 72.9 m95 . . . . . 0 C--O 1.232 0.149 0 N-CA-C 109.964 -0.384 . . . . 15.0 109.964 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -103.69 150.7 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.849 -0.614 . . . . 15.0 110.849 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 15.0 mmtp -89.38 104.91 17.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.813 0.816 . . . . 15.0 110.068 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -120.68 143.63 48.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.519 -1.219 . . . . 15.0 108.881 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.6 mtt -89.71 136.49 33.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.449 0.643 . . . . 15.0 111.555 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.9 p -89.93 145.52 25.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.957 -1.02 . . . . 15.0 109.847 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.95 -69.71 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.865 1.353 . . . . 15.0 113.733 -162.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -76.4 -33.82 58.85 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.591 0.589 . . . . 15.0 112.591 -167.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -90.13 -13.76 35.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.736 -0.386 . . . . 15.0 111.372 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.14 57.74 18.23 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.08 -0.581 . . . . 15.0 111.981 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.04 150.26 51.39 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.348 0.118 . . . . 15.0 110.973 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.701 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.55 100.19 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.003 0.906 . . . . 15.0 110.759 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.664 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 24.2 p90 -99.47 150.48 22.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.55 -1.205 . . . . 15.0 108.647 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.751 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 54.3 m-85 -89.5 108.29 19.57 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.289 0.566 . . . . 15.0 109.861 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.738 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 41.7 t80 -93.04 117.53 30.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.375 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.645 HD21 HG12 ' A' ' 28' ' ' ILE . 16.4 t-20 -113.98 113.92 25.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.179 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.738 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.9 p80 -94.61 2.93 55.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.252 0.834 . . . . 15.0 113.252 -175.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.645 HG12 HD21 ' A' ' 26' ' ' ASN . 46.0 pt -76.84 -40.55 31.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.033 -1.067 . . . . 15.0 108.666 171.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 m -90.34 -18.8 24.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.703 170.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 71.48 11.54 6.57 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.882 0.849 . . . . 15.0 109.901 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.6 137.26 32.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.764 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -109.96 111.81 23.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.839 -0.619 . . . . 15.0 110.109 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.617 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.6 mm-40 -114.64 111.62 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.173 0.511 . . . . 15.0 112.373 -171.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.664 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 14.9 m95 -70.2 -39.96 74.87 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.775 0.798 . . . . 15.0 109.86 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -83.8 159.99 21.3 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.5 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -69.96 123.77 89.36 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 15.0 112.198 -165.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo . . . . . 0 C--N 1.35 0.627 0 C-N-CA 123.828 3.019 . . . . 15.0 113.553 -176.72 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.731 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 45.9 m95 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 121.186 0.517 . . . . 15.0 110.881 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -89.92 145.8 24.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.358 -0.837 . . . . 15.0 109.009 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.707 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.4 mtpt -94.29 99.77 11.94 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.754 0.788 . . . . 15.0 109.572 171.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.606 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 2.9 tpm_? -103.94 150.43 24.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.382 -1.281 . . . . 15.0 109.729 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -89.52 126.98 35.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.495 0.664 . . . . 15.0 110.518 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.43 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.5 p -89.81 149.33 22.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.517 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.62 -47.7 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.936 1.398 . . . . 15.0 113.715 -162.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.8 m -69.8 -65.52 0.71 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -89.98 -9.98 46.7 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.2 57.61 6.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.373 -0.918 . . . . 15.0 110.888 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 21' ' ' ARG . 18.1 mtp180 -122.38 150.29 42.63 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.971 0.36 . . . . 15.0 111.971 -170.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.707 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -89.3 94.02 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.913 0.863 . . . . 15.0 110.877 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 26.7 p90 -90.06 150.59 22.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.099 -1.409 . . . . 15.0 109.048 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.731 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 95.4 m-85 -89.19 112.43 23.45 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.445 -0.576 . . . . 15.0 109.445 -176.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.695 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 28.4 t80 -105.3 122.12 45.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.152 -174.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.558 HD21 HG12 ' A' ' 28' ' ' ILE . 4.5 t-20 -112.52 118.16 34.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.75 -0.594 . . . . 15.0 110.482 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.695 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.8 p80 -93.83 -7.89 42.03 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.511 0.93 . . . . 15.0 113.511 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.558 HG12 HD21 ' A' ' 26' ' ' ASN . 36.1 pt -71.06 -42.65 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 119.337 -0.945 . . . . 15.0 109.053 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.528 ' N ' HG13 ' A' ' 28' ' ' ILE . 30.9 p -90.23 -18.43 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.416 174.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 70.85 16.49 6.61 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.277 -0.874 . . . . 15.0 109.614 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.04 149.94 22.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.616 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -129.09 121.65 28.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.408 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 21.4 mt-30 -121.99 111.83 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.424 0.527 . . . . 15.0 112.424 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.472 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 9.9 m95 -70.44 -31.08 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.004 0.907 . . . . 15.0 109.109 170.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -91.96 154.89 18.52 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.591 -1.64 . . . . 15.0 107.934 179.062 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -69.99 141.19 89.13 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.283 0.475 . . . . 15.0 112.283 -160.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 28.0 Cg_exo . . . . . 0 C--N 1.356 0.927 0 C-N-CA 123.231 2.621 . . . . 15.0 112.887 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.854 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 54.2 m95 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.951 0.405 . . . . 15.0 111.328 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -106.85 144.07 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.952 -0.759 . . . . 15.0 108.952 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -89.9 91.86 8.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.352 1.072 . . . . 15.0 110.728 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -97.05 150.4 20.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.26 -1.791 . . . . 15.0 108.802 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.0 mtt -89.46 142.79 27.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.532 0.682 . . . . 15.0 112.052 -170.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.523 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 16.3 m -89.55 132.3 35.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.689 -1.141 . . . . 15.0 109.108 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -70.23 -70.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.977 1.423 . . . . 15.0 113.564 -159.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.9 m -88.08 -14.42 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.183 0.516 . . . . 15.0 111.195 -172.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -90.33 -22.96 21.28 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.993 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 57.37 18.11 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.709 -0.757 . . . . 15.0 111.388 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 21' ' ' ARG . 22.1 ttt180 -136.39 150.78 48.96 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.97 -0.115 . . . . 15.0 110.92 -171.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.61 122.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 O-C-N 121.532 -0.73 . . . . 15.0 110.863 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.6 p90 -126.52 150.31 48.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.073 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.854 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 77.2 m-85 -89.98 109.32 20.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 15.0 110.44 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.642 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 27.9 t80 -100.62 119.66 38.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.026 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.698 ' OD1' HG12 ' A' ' 28' ' ' ILE . 51.0 t-20 -110.66 126.69 54.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.642 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.7 p80 -107.12 5.43 27.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.227 0.825 . . . . 15.0 113.227 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.698 HG12 ' OD1' ' A' ' 26' ' ' ASN . 24.1 pt -78.35 -40.37 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 107.804 -1.184 . . . . 15.0 107.804 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.501 ' N ' HG13 ' A' ' 28' ' ' ILE . 39.5 p -90.32 -20.64 22.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.215 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 12.6 t-20 68.51 22.61 7.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.618 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB1' HE21 ' A' ' 33' ' ' GLN . . . -102.6 129.77 49.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 15.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.3 m -96.56 118.37 32.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.793 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.701 HE21 ' HB1' ' A' ' 31' ' ' ALA . 71.9 mm-40 -124.29 113.33 18.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 15.0 111.451 -174.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 13.0 m0 -84.7 -35.06 22.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.188 0.994 . . . . 15.0 109.082 175.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -82.64 149.38 27.43 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 113.621 -1.627 . . . . 15.0 106.854 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -69.84 132.22 88.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.515 0.561 . . . . 15.0 112.515 -159.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 9.6 Cg_endo . . . . . 0 C--N 1.356 0.972 0 C-N-CA 123.735 2.957 . . . . 15.0 112.824 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.912 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 60.2 m95 . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.093 0.473 . . . . 15.0 110.569 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.99 137.59 32.21 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.678 -0.692 . . . . 15.0 109.197 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 9.5 mtpm? -90.0 92.27 8.92 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 122.491 1.139 . . . . 15.0 110.829 -178.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -95.15 150.68 19.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 112.579 -2.1 . . . . 15.0 108.442 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.489 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 1.6 mpt? -89.17 140.91 28.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.716 0.77 . . . . 15.0 110.682 -173.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.7 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 7.6 m -89.67 135.81 33.4 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.254 -1.339 . . . . 15.0 109.456 -174.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HD3' HH11 ' A' ' 17' ' ' ARG . 41.0 ttt-85 -69.4 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.934 1.396 . . . . 15.0 113.08 -163.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -71.51 -41.02 69.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -171.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 t -90.12 -11.62 40.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.57 0.581 . . . . 15.0 112.57 -172.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.74 60.3 7.95 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.271 -0.966 . . . . 15.0 111.607 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' H ' ' HB2' ' A' ' 16' ' ' SER . 16.3 mmm180 -124.22 150.47 45.22 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.928 -0.136 . . . . 15.0 110.994 -171.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.406 ' HB ' ' HZ3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -89.81 90.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 O-C-N 121.486 -0.759 . . . . 15.0 110.86 173.019 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 8.7 p90 -95.63 150.23 20.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 15.0 110.733 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.601 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 69.4 m-85 -89.73 107.4 19.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.007 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.502 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 63.6 t80 -99.86 120.15 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.858 0.361 . . . . 15.0 110.51 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.59 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.4 t30 -121.17 120.25 34.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.421 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.477 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 1.8 p80 -94.59 -2.04 52.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.59 HG12 ' OD1' ' A' ' 26' ' ' ASN . 16.5 pt -74.41 -39.32 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.202 -0.999 . . . . 15.0 108.416 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 28' ' ' ILE . 57.2 p -90.37 -19.91 23.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.662 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t30 70.17 16.33 7.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.814 0.816 . . . . 15.0 109.875 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.05 144.3 30.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.513 -0.767 . . . . 15.0 111.032 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 p -115.55 108.33 16.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.779 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.912 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 1.7 mp0 -111.21 100.34 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.7 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.0 m0 -69.77 -36.77 76.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.957 -1.497 . . . . 15.0 106.957 165.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 13.6 pt-20 -73.35 142.98 47.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 112.253 -2.249 . . . . 15.0 108.143 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -69.87 133.3 88.3 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.887 -0.508 . . . . 15.0 112.024 -168.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 52.7 Cg_exo . . . . . 0 C--N 1.355 0.901 0 C-N-CA 123.859 3.039 . . . . 15.0 113.806 -175.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.605 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 75.2 m95 . . . . . 0 C--O 1.234 0.246 0 CA-C-O 121.168 0.509 . . . . 15.0 110.467 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -98.72 147.15 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.811 -176.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.731 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 13.1 mmmm -89.95 99.3 12.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.095 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.554 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 40.1 ttm180 -113.42 150.19 33.1 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.383 -0.826 . . . . 15.0 109.194 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 ttm -89.68 137.33 32.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.291 0.567 . . . . 15.0 110.361 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 3.0 m -89.66 139.29 30.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.427 -0.806 . . . . 15.0 109.301 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 17' ' ' ARG . 48.6 ttt180 -69.82 -68.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.963 -165.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.427 0.528 . . . . 15.0 112.427 -167.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 t -90.09 -19.79 23.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.883 0.327 . . . . 15.0 111.883 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.71 45.26 94.88 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.586 -0.816 . . . . 15.0 111.991 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -142.42 150.5 40.7 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.28 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 118.95 0.796 . . . . 15.0 111.558 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 12.1 p90 -129.83 150.65 51.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.522 -1.217 . . . . 15.0 108.604 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.731 ' CE2' ' HD3' ' A' ' 13' ' ' LYS . 71.9 m-85 -89.59 114.6 26.2 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.731 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 38.6 t80 -103.19 127.79 50.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.022 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.692 HD21 HG12 ' A' ' 28' ' ' ILE . 20.7 t-20 -124.77 128.0 48.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.165 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.731 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 8.9 p80 -106.75 10.22 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.999 -0.68 . . . . 15.0 112.666 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.692 HG12 HD21 ' A' ' 26' ' ' ASN . 23.9 pt -80.56 -41.51 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 119.342 -0.943 . . . . 15.0 108.843 171.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.592 HG22 ' OD1' ' A' ' 26' ' ' ASN . 13.4 t -90.51 -16.56 28.65 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.51 -0.313 . . . . 15.0 110.424 166.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.596 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 13.6 t-20 58.5 60.16 2.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.911 0.862 . . . . 15.0 109.969 -176.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.9 150.05 45.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.789 -1.096 . . . . 15.0 109.527 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -115.79 123.23 47.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.362 -0.381 . . . . 15.0 110.591 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.465 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 29.2 mt-30 -120.22 108.64 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 15.0 112.238 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.56 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 17.0 m95 -69.8 -46.16 66.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 122.208 1.004 . . . . 15.0 108.378 168.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -70.69 144.3 51.07 Favored 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 113.51 -1.677 . . . . 15.0 107.739 176.056 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -69.87 121.19 81.94 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -166.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--N 1.349 0.597 0 C-N-CA 123.415 2.743 . . . . 15.0 111.064 171.096 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.924 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 68.6 m95 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.87 0.367 . . . . 15.0 110.392 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 89.7 mt-10 -89.97 146.13 24.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.84 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.786 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 36.1 mmtt -89.67 90.49 8.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.0 -0.741 . . . . 15.0 109.0 170.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -104.03 150.31 24.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.67 -1.15 . . . . 15.0 109.091 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.2 mtp -89.59 130.57 35.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.335 0.588 . . . . 15.0 110.506 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.1 p -89.95 142.87 27.29 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.129 -0.941 . . . . 15.0 108.856 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -69.37 -69.94 0.31 Allowed 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.903 1.377 . . . . 15.0 112.608 -163.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 p -70.01 -25.9 63.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.357 0.503 . . . . 15.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 t -90.11 -25.25 20.83 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.726 -0.39 . . . . 15.0 111.636 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.48 42.24 99.72 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.028 -0.606 . . . . 15.0 111.835 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -135.25 150.27 50.03 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.899 -0.177 . . . . 15.0 111.159 -170.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.786 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.7 m -89.54 107.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.268 1.032 . . . . 15.0 112.253 -173.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -100.05 150.81 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 15.0 109.226 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.924 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 11.6 m-85 -89.03 106.94 18.76 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.291 0.567 . . . . 15.0 110.326 -176.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.752 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 26.2 t80 -96.91 119.23 34.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.411 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.678 ' OD1' HG12 ' A' ' 28' ' ' ILE . 31.8 t30 -112.92 117.19 31.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.649 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.752 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.3 p80 -96.45 4.31 52.22 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.678 HG12 ' OD1' ' A' ' 26' ' ' ASN . 36.8 pt -77.81 -42.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 118.914 -1.114 . . . . 15.0 109.034 171.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.405 ' N ' HG13 ' A' ' 28' ' ' ILE . 14.6 t -90.4 -18.74 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.2 -0.454 . . . . 15.0 110.378 172.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 t30 65.93 60.26 0.68 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.956 0.884 . . . . 15.0 110.087 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.97 147.67 39.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 15.0 110.252 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -112.0 107.79 16.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.342 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.668 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.9 mm100 -113.6 114.43 26.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.405 0.622 . . . . 15.0 112.18 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -75.25 -23.96 57.56 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.271 1.034 . . . . 15.0 109.155 169.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -92.04 140.67 29.42 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 113.509 -1.678 . . . . 15.0 108.292 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.607 ' H ' ' HD3' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -70.07 134.65 87.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 15.0 111.674 -168.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 C--N 1.344 0.325 0 C-N-CA 123.063 2.508 . . . . 15.0 111.512 179.188 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.804 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 70.3 m95 . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 121.283 0.563 . . . . 15.0 109.601 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.56 150.59 26.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.113 -172.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.968 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 17.4 mmtp -89.37 102.68 15.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.542 0.687 . . . . 15.0 109.303 172.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -113.81 150.6 33.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.406 -1.27 . . . . 15.0 109.215 -175.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 ttm -89.33 130.76 35.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 15.0 110.957 -170.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.551 ' HB2' ' H ' ' A' ' 21' ' ' ARG . 8.6 m -89.84 129.62 36.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.758 -1.11 . . . . 15.0 109.404 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -69.76 -44.09 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 15.0 112.944 -167.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 p -70.05 -70.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.249 0.463 . . . . 15.0 112.249 -172.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m -86.24 -9.68 56.05 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.215 0.45 . . . . 15.0 112.215 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 60.01 4.71 Favored Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.489 -0.862 . . . . 15.0 111.168 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.551 ' H ' ' HB2' ' A' ' 16' ' ' SER . 5.5 mmp_? -120.59 150.18 41.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.673 -0.264 . . . . 15.0 111.428 -170.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.968 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.6 93.52 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.517 0.675 . . . . 15.0 110.337 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -96.0 150.55 20.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.32 -0.854 . . . . 15.0 109.698 -177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.804 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 1.7 m-85 -89.42 107.21 18.94 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.597 0.713 . . . . 15.0 109.87 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.676 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 48.7 t80 -99.49 122.34 42.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.854 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.548 HD21 HG12 ' A' ' 28' ' ' ILE . 17.8 t-20 -114.58 123.9 50.52 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.676 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.8 p80 -105.42 15.52 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.967 0.729 . . . . 15.0 112.967 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.548 HG12 HD21 ' A' ' 26' ' ' ASN . 22.3 pt -85.44 -45.61 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.274 -1.009 . . . . 15.0 108.274 169.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' HG13 ' A' ' 28' ' ' ILE . 62.1 p -90.33 -18.28 25.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.474 171.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 t30 75.73 20.12 1.88 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 124.025 0.828 . . . . 15.0 109.758 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.96 134.81 34.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.186 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -110.47 115.4 29.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.683 -0.689 . . . . 15.0 109.739 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HG3' ' HH2' ' A' ' 11' ' ' TRP . 27.9 mm-40 -124.49 111.17 15.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.806 0.298 . . . . 15.0 111.806 -173.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.6 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 11.6 m95 -70.77 -30.9 67.52 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.957 0.884 . . . . 15.0 109.236 171.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -90.71 148.88 22.3 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.994 -1.457 . . . . 15.0 108.262 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -69.92 134.35 87.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 111.631 0.234 . . . . 15.0 111.631 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo . . . . . 0 C--N 1.355 0.879 0 C-N-CA 123.568 2.845 . . . . 15.0 111.606 -179.802 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.724 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 47.4 m95 . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.359 0.599 . . . . 15.0 109.91 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -92.29 145.98 24.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.349 -0.841 . . . . 15.0 110.338 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.828 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 1.5 mmpt? -89.96 96.08 10.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.766 0.793 . . . . 15.0 109.694 174.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -106.69 150.53 26.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.356 -1.293 . . . . 15.0 108.866 -174.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.6 mtp -89.59 135.31 33.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.991 0.901 . . . . 15.0 111.96 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.625 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 6.0 m -89.77 139.49 30.52 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 113.987 -1.46 . . . . 15.0 108.797 -178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -69.8 -69.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 15.0 112.931 -164.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -69.97 -36.49 75.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.084 0.402 . . . . 15.0 112.084 -168.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 m -90.29 -17.45 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.72 59.57 9.98 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.578 -0.82 . . . . 15.0 111.797 -174.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -134.21 150.32 51.05 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 122.905 -0.173 . . . . 15.0 111.092 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.828 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -89.46 107.56 18.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.707 0.765 . . . . 15.0 111.744 -176.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' HD2' ' OG ' ' A' ' 16' ' ' SER . 22.9 p90 -103.78 150.76 23.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.975 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.724 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 83.1 m-85 -89.21 111.3 22.07 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.791 -0.641 . . . . 15.0 109.706 -176.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.641 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 69.8 t80 -104.17 125.69 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.306 -0.861 . . . . 15.0 110.122 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' HG12 ' A' ' 28' ' ' ILE . 4.1 t-20 -124.56 107.14 10.73 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.641 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.5 p80 -85.87 -3.92 59.04 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.899 0.703 . . . . 15.0 112.899 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.557 HG12 ' ND2' ' A' ' 26' ' ' ASN . 25.5 pt -69.15 -46.52 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.4 -0.92 . . . . 15.0 109.187 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.557 ' N ' HG13 ' A' ' 28' ' ' ILE . 16.7 p -90.16 -12.07 39.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.123 172.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 62.04 60.13 1.56 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.494 -0.775 . . . . 15.0 109.944 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.58 148.86 51.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.459 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 p -125.9 119.15 27.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.053 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -135.86 108.88 7.66 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.694 0.628 . . . . 15.0 112.694 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.625 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 1.2 m0 -69.94 -28.33 65.48 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 107.081 -1.452 . . . . 15.0 107.081 170.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.63 150.48 34.62 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 112.647 -2.069 . . . . 15.0 108.499 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 36' ' ' ARG . 44.4 ttm180 -69.76 126.61 92.62 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.915 0.388 . . . . 15.0 111.894 -166.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 16.4 Cg_endo . . . . . 0 C--N 1.35 0.615 0 C-N-CA 123.491 2.794 . . . . 15.0 112.894 -178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.699 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 78.9 m95 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.54 0.686 . . . . 15.0 110.215 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.06 144.17 26.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.06 -0.973 . . . . 15.0 109.858 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -89.93 104.77 17.31 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.441 -0.578 . . . . 15.0 109.441 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.902 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.16 149.93 43.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.187 -174.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -89.53 128.08 35.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.132 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.659 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 54.9 p -89.93 132.85 35.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.65 -0.704 . . . . 15.0 110.494 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 17' ' ' ARG . 13.9 ttp85 -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.224 -1.353 . . . . 15.0 112.871 -167.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.667 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 4.3 m -70.27 -69.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.735 0.302 . . . . 15.0 111.497 -174.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -89.32 -10.09 48.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.966 0.358 . . . . 15.0 111.966 -172.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.47 53.62 16.27 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.253 -1.139 . . . . 15.0 110.253 -172.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -126.86 150.41 49.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.06 -0.57 . . . . 15.0 110.143 -168.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 m -89.14 110.25 21.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.851 0.834 . . . . 15.0 109.77 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.861 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 6.5 p90 -113.58 150.27 33.29 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.561 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.699 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 61.2 m-85 -89.64 114.99 26.69 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.074 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.9 t80 -100.89 111.71 23.98 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.118 -0.364 . . . . 15.0 110.399 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.685 ' OD1' HG12 ' A' ' 28' ' ' ILE . 30.4 t30 -108.46 121.12 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.783 0.325 . . . . 15.0 110.703 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 3.2 p80 -97.82 -4.17 37.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.04 0.755 . . . . 15.0 113.04 -175.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.685 HG12 ' OD1' ' A' ' 26' ' ' ASN . 40.6 pt -70.71 -42.27 77.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.237 -0.985 . . . . 15.0 109.201 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 31' ' ' ALA . 9.9 t -90.3 -15.26 31.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.277 -0.42 . . . . 15.0 109.943 168.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.66 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 2.7 t30 67.61 18.37 9.92 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.626 0.77 . . . . 15.0 110.417 -178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.731 ' H ' HG23 ' A' ' 29' ' ' THR . . . -100.6 125.26 46.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.478 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 p -89.88 126.18 35.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.3 mm-40 -128.49 110.12 12.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.631 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.861 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 9.6 m0 -75.04 -22.49 58.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.638 -1.245 . . . . 15.0 107.638 172.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -90.14 158.01 17.47 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 112.615 -2.084 . . . . 15.0 108.731 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 79.1 mtt180 -69.69 130.99 89.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.363 -0.211 . . . . 15.0 111.568 -168.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.6 Cg_exo . . . . . 0 C--N 1.349 0.58 0 C-N-CA 122.841 2.36 . . . . 15.0 113.12 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.552 ' HE3' ' CB ' ' A' ' 24' ' ' TYR . 45.8 m95 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.061 0.458 . . . . 15.0 110.386 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -89.77 142.65 27.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 15.0 110.326 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.86 97.71 11.35 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.61 -0.515 . . . . 15.0 109.61 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.522 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 44.2 ttm180 -116.85 150.23 38.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.642 -175.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.8 ttt -89.7 128.44 36.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 15.0 110.164 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.488 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 24.0 p -89.83 147.55 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.424 -0.807 . . . . 15.0 109.543 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -69.84 -70.44 0.29 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.21 -1.359 . . . . 15.0 113.581 -159.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.2 m -69.81 -37.77 76.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 15.0 112.482 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.71 -13.3 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.439 0.533 . . . . 15.0 112.439 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.65 51.24 59.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.758 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.587 ' HD2' ' HZ3' ' A' ' 34' ' ' TRP . 84.6 mtt180 -125.73 150.13 47.96 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.466 0.174 . . . . 15.0 111.23 -171.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 m -89.43 101.5 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.917 0.865 . . . . 15.0 110.877 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 19.1 p90 -104.58 150.29 24.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.886 -1.052 . . . . 15.0 109.701 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.552 ' CB ' ' HE3' ' A' ' 11' ' ' TRP . 38.2 m-85 -89.89 104.9 17.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.165 -0.471 . . . . 15.0 110.103 -177.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.536 ' CE2' ' HD2' ' A' ' 27' ' ' HIS . 16.4 t80 -89.96 108.92 20.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.673 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.7 t30 -102.35 116.35 32.45 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.083 -0.385 . . . . 15.0 110.643 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.536 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 1.9 p80 -93.98 -5.5 47.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.213 0.82 . . . . 15.0 113.213 -174.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.673 HG12 ' OD1' ' A' ' 26' ' ' ASN . 29.9 pt -73.02 -38.43 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 119.038 -1.065 . . . . 15.0 108.806 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -90.27 -18.45 25.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.053 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 71.5 10.72 6.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.585 0.754 . . . . 15.0 109.935 -176.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.05 130.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 15.0 110.753 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.6 m -95.99 105.69 17.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.134 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.6 mm100 -108.8 149.68 28.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.046 0.451 . . . . 15.0 111.175 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 13.3 m95 -106.68 -31.98 8.21 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 122.008 0.909 . . . . 15.0 109.429 176.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -87.68 147.5 25.21 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 113.466 -1.697 . . . . 15.0 108.682 -171.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -69.84 134.22 88.05 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 116.294 -0.412 . . . . 15.0 112.094 -167.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 N--CA 1.463 -0.31 0 C-N-CA 122.967 2.445 . . . . 15.0 110.556 176.389 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.606 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 65.6 m95 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.059 0.457 . . . . 15.0 111.002 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.34 141.83 28.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.496 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.56 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.7 mtpt -89.88 100.83 13.57 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 122.338 1.066 . . . . 15.0 109.921 174.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.676 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 3.0 tpm_? -110.05 150.51 28.45 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.286 -1.779 . . . . 15.0 108.827 -173.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.37 121.57 31.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.394 0.616 . . . . 15.0 110.192 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.64 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 29.5 p -90.01 137.56 32.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.675 -176.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -70.0 -26.23 63.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.632 -1.167 . . . . 15.0 113.429 -169.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.725 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 48.1 t -70.31 -70.13 0.31 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.391 -172.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -10.26 44.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.53 55.77 8.27 Favored Glycine 0 N--CA 1.452 -0.245 0 N-CA-C 110.503 -1.039 . . . . 15.0 110.503 -172.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -132.85 150.63 52.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.407 -0.396 . . . . 15.0 110.574 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.56 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -89.37 97.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 122.219 1.009 . . . . 15.0 110.232 -178.294 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.64 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 17.9 p90 -89.95 150.78 22.01 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.487 -1.688 . . . . 15.0 108.782 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.521 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 94.9 m-85 -88.96 103.35 15.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.634 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 39.5 t80 -96.57 118.34 32.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.359 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.699 ' OD1' HG12 ' A' ' 28' ' ' ILE . 34.5 t30 -114.65 113.63 24.6 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.556 0.217 . . . . 15.0 110.889 -177.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.598 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.5 p80 -92.7 2.9 56.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.749 0.648 . . . . 15.0 112.749 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.699 HG12 ' OD1' ' A' ' 26' ' ' ASN . 31.7 pt -74.95 -43.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.883 -1.127 . . . . 15.0 108.856 172.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 31' ' ' ALA . 9.6 t -90.53 -13.78 33.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.447 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.8 t30 68.39 18.28 9.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.618 0.767 . . . . 15.0 110.73 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.685 ' H ' HG23 ' A' ' 29' ' ' THR . . . -98.61 148.39 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.91 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 p -116.17 118.23 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.602 . . . . 15.0 110.78 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.592 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 9.3 mm100 -117.59 110.4 17.87 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.749 0.277 . . . . 15.0 111.749 -175.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.725 ' HH2' ' HB3' ' A' ' 18' ' ' SER . 18.6 m95 -69.93 -38.47 76.23 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 122.074 0.94 . . . . 15.0 108.855 171.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.16 157.42 18.83 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 113.749 -1.568 . . . . 15.0 108.119 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 47.7 mtp180 -69.68 135.77 88.06 Favored Pre-proline 0 N--CA 1.466 0.331 0 N-CA-C 112.8 0.667 . . . . 15.0 112.8 -163.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 22.7 Cg_exo . . . . . 0 C--N 1.353 0.788 0 C-N-CA 123.298 2.666 . . . . 15.0 113.155 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.153 -0.314 . . . . 15.0 110.153 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.27 148.99 9.6 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.263 2.642 . . . . 15.0 112.568 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -47.52 -29.72 10.78 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 124.028 3.152 . . . . 15.0 113.603 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -66.96 -13.89 62.46 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 121.373 -0.441 . . . . 15.0 113.494 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.649 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 74.7 m95 -89.81 108.28 19.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.996 0.427 . . . . 15.0 110.426 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -104.56 150.02 24.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.045 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -97.54 113.11 24.75 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.856 0.836 . . . . 15.0 109.816 172.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -125.66 150.61 47.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.164 -1.38 . . . . 15.0 109.241 -168.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.4 mtt -89.33 124.1 34.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.609 0.719 . . . . 15.0 110.99 -173.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.657 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 25.9 p -90.17 150.07 22.16 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.02 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -69.62 -57.49 5.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.009 -1.45 . . . . 15.0 113.643 -165.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.8 p -69.62 -53.96 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.134 0.791 . . . . 15.0 113.134 -166.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.592 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 38.5 t -89.74 -10.2 46.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.597 0.237 . . . . 15.0 111.373 -175.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.96 57.2 18.4 Favored Glycine 0 C--N 1.333 0.389 0 N-CA-C 110.036 -1.226 . . . . 15.0 110.036 -172.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -121.94 150.18 42.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.096 -0.552 . . . . 15.0 110.478 -167.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 m -89.47 95.62 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.733 0.778 . . . . 15.0 110.158 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.657 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 14.0 p90 -99.55 150.37 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.977 -1.011 . . . . 15.0 109.997 -176.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.477 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 45.7 m-85 -89.66 115.32 26.95 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.657 -0.701 . . . . 15.0 109.556 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.683 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 44.2 t80 -110.91 128.07 55.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.671 ' OD1' HG12 ' A' ' 28' ' ' ILE . 26.6 t30 -122.76 124.16 42.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.592 -0.276 . . . . 15.0 110.654 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.683 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.4 p80 -97.58 -3.66 39.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.673 0.62 . . . . 15.0 112.673 -177.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.671 HG12 ' OD1' ' A' ' 26' ' ' ASN . 23.6 pt -79.73 -41.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.534 -0.866 . . . . 15.0 109.144 174.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 m -90.29 -17.6 27.11 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.656 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.6 t30 67.58 18.09 9.95 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.763 0.792 . . . . 15.0 109.583 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.06 150.1 20.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 15.0 110.613 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 t -132.32 125.98 32.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.217 -0.447 . . . . 15.0 109.948 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 46.5 mt-30 -132.06 112.17 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.924 -175.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.682 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 13.2 m95 -69.67 -37.95 76.89 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 122.044 0.926 . . . . 15.0 108.839 169.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.798 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 1.3 pt-20 -80.12 156.25 27.1 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 113.824 -1.535 . . . . 15.0 107.776 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -69.75 125.96 92.27 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.408 . . . . 15.0 111.52 -167.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.25 -30.16 79.07 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.921 3.081 . . . . 15.0 113.457 -175.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 p -91.25 -1.41 57.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.708 -176.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.438 -1.201 . . . . 15.0 111.635 -178.336 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.028 -0.36 . . . . 15.0 110.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 9.8 pt -108.57 89.49 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 121.136 0.493 . . . . 15.0 109.68 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.455 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.682 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 12.2 Cg_exo -75.74 139.66 22.67 Favored 'Trans proline' 0 C--N 1.308 -1.569 1 C-N-CA 126.77 4.98 . . . . 15.0 115.103 -176.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.479 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 55.3 Cg_endo -70.74 140.13 38.31 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 124.869 3.713 . . . . 15.0 110.457 159.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.635 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 2.0 mp -82.06 137.51 46.36 Favored Pre-proline 0 CA--C 1.509 -0.603 0 CA-C-O 121.86 0.838 . . . . 15.0 109.772 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.798 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 31.1 Cg_exo -59.37 -10.01 9.95 Favored 'Trans proline' 0 C--N 1.324 -0.712 0 C-N-CA 124.448 3.432 . . . . 15.0 113.432 -175.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 11.9 p90 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.195 -0.907 . . . . 15.0 110.224 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.742 ' HG ' ' HB2' ' A' ' 37' ' ' PRO . 2.8 mm? . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 113.794 1.035 . . . . 15.0 113.794 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.705 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 4.1 Cg_endo -46.02 -34.32 12.67 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 123.196 2.597 . . . . 15.0 116.774 -176.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 9.3 Cg_endo -53.73 -30.13 55.07 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 121.519 1.479 . . . . 15.0 112.913 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.83 -39.17 1.61 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.865 -0.683 . . . . 15.0 112.227 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 20.6 m95 -89.92 126.85 35.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.982 -0.377 . . . . 15.0 109.982 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.87 150.17 22.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.613 0.721 . . . . 15.0 111.385 -171.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.68 ' CE ' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -89.89 104.25 16.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.325 -0.852 . . . . 15.0 110.466 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.547 ' HD3' ' H ' ' A' ' 15' ' ' MET . 17.1 tpp180 -124.56 150.24 46.11 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.162 -1.381 . . . . 15.0 108.292 -175.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.547 ' H ' ' HD3' ' A' ' 14' ' ' ARG . 2.0 mpt? -89.52 130.66 35.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.432 0.634 . . . . 15.0 110.94 -171.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.791 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 82.6 p -89.89 135.36 33.68 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.001 -0.999 . . . . 15.0 109.97 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.552 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 24.3 ttt180 -74.89 -31.07 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.277 -1.329 . . . . 15.0 113.535 -165.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.545 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 38.5 t -78.02 -64.79 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.21 -175.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 m -87.04 -9.97 54.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.314 0.486 . . . . 15.0 112.314 -173.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.92 54.38 25.2 Favored Glycine 0 C--N 1.332 0.322 0 N-CA-C 110.161 -1.176 . . . . 15.0 110.161 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.515 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 4.8 mmp_? -131.6 150.8 52.02 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 114.935 -0.632 . . . . 15.0 110.619 -168.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.68 ' HB ' ' CE ' ' A' ' 13' ' ' LYS . 2.9 m -88.95 94.49 4.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 122.486 1.136 . . . . 15.0 110.406 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 9.1 p90 -89.83 150.57 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 113.863 -1.517 . . . . 15.0 108.952 -177.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -89.24 110.34 21.12 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.154 0.502 . . . . 15.0 109.648 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.587 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 38.5 t80 -108.92 130.71 55.45 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.583 -0.735 . . . . 15.0 109.608 177.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.585 ' CG ' HG12 ' A' ' 28' ' ' ILE . 40.8 t-20 -129.65 127.0 39.68 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.5 -0.48 . . . . 15.0 110.155 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.587 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.9 p80 -91.16 0.48 57.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.87 0.322 . . . . 15.0 111.87 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.585 HG12 ' CG ' ' A' ' 26' ' ' ASN . 17.3 pt -75.87 -42.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 108.937 -0.764 . . . . 15.0 108.937 171.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.525 ' N ' HG13 ' A' ' 28' ' ' ILE . 9.4 p -90.36 -20.76 22.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.388 -0.824 . . . . 15.0 111.398 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 71.7 13.09 6.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.123 0.963 . . . . 15.0 109.212 -173.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 141.04 29.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.277 -0.874 . . . . 15.0 111.249 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.5 m -120.17 109.49 15.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.551 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.559 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 5.8 mt-30 -123.5 106.06 10.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.392 0.515 . . . . 15.0 112.392 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.791 ' CZ2' ' HB2' ' A' ' 16' ' ' SER . 7.1 m0 -74.57 -27.22 60.4 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.113 -1.069 . . . . 15.0 108.113 171.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -95.1 147.71 23.14 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.731 -1.577 . . . . 15.0 106.933 178.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.1 mpp_? -69.7 126.24 92.43 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 112.873 0.694 . . . . 15.0 112.873 -162.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.742 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 67.6 Cg_exo -51.46 -65.09 0.16 Allowed 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 124.075 3.183 . . . . 15.0 112.826 -177.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -142.24 12.94 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.532 0.682 . . . . 15.0 109.192 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.018 -1.434 . . . . 15.0 111.014 -176.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . 0.457 ' HG2' HG12 ' B' ' 209' ' ' ILE . 18.9 ttp180 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.118 -0.697 . . . . 15.0 109.118 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . 0.457 HG12 ' HG2' ' B' ' 208' ' ' ARG . 4.0 pt -136.36 89.42 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 108.921 -0.77 . . . . 15.0 108.921 170.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.552 ' O3P' ' HD3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.675 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 3.5 Cg_exo -82.32 124.57 4.26 Favored 'Trans proline' 0 C--N 1.31 -1.49 1 C-N-CA 127.493 5.462 . . . . 15.0 113.804 176.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.509 ' O ' HD12 ' B' ' 213' ' ' LEU . 53.1 Cg_endo -71.89 99.39 0.97 Allowed 'Trans proline' 0 C--N 1.297 -2.144 0 C-N-CA 123.282 2.654 . . . . 15.0 111.583 166.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.542 ' CD2' ' H ' ' A' ' 34' ' ' TRP . 1.8 mp -130.17 151.26 78.11 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 108.348 -0.982 . . . . 15.0 108.348 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.438 ' HG2' ' CE2' ' B' ' 215' ' ' PHE . 36.3 Cg_endo -66.92 -9.6 25.43 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 123.194 2.596 . . . . 15.0 114.079 -173.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . 0.438 ' CE2' ' HG2' ' B' ' 214' ' ' PRO . 71.7 m-85 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.421 -0.799 . . . . 15.0 111.155 -175.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.442 HD12 ' HD2' ' A' ' 8' ' ' PRO . 37.7 tp . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.527 0.203 . . . . 15.0 110.494 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HD2' HD12 ' A' ' 7' ' ' LEU . 52.7 Cg_exo -56.04 132.98 55.25 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.843 2.362 . . . . 15.0 112.286 177.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 77.1 Cg_exo -49.98 -29.66 22.03 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.974 3.116 . . . . 15.0 113.596 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.77 -9.9 22.15 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-N 116.104 -0.498 . . . . 15.0 113.691 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.712 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 71.3 m95 -90.02 117.01 28.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.184 0.516 . . . . 15.0 110.295 176.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -96.24 150.12 20.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.3 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 1.3 mmpt? -93.41 103.42 15.64 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.437 0.637 . . . . 15.0 110.48 176.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -120.28 150.2 41.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.328 -0.851 . . . . 15.0 109.579 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.5 ptp -89.74 130.24 36.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.713 0.768 . . . . 15.0 110.839 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 23.2 p -89.91 131.75 35.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.876 -1.056 . . . . 15.0 109.851 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 17' ' ' ARG . 48.4 ttt-85 -69.97 -25.49 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.25 -0.886 . . . . 15.0 113.048 -169.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.583 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 15.3 m -69.81 -70.17 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.732 0.301 . . . . 15.0 111.392 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 m -90.03 -9.89 46.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.679 0.251 . . . . 15.0 111.679 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.18 50.72 21.06 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 110.85 -0.9 . . . . 15.0 110.85 -174.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.514 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 5.0 mmp_? -122.87 150.48 42.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.47 -0.365 . . . . 15.0 110.805 -172.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.407 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -89.2 91.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.809 0.814 . . . . 15.0 110.873 -176.139 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 17.1 p90 -90.03 150.8 21.95 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.185 -1.37 . . . . 15.0 109.369 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.66 111.59 22.59 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.196 0.522 . . . . 15.0 109.672 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.609 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 16.1 t80 -97.59 119.41 36.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.019 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.783 HD21 HG12 ' A' ' 28' ' ' ILE . 21.7 t-20 -108.15 135.15 49.97 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 122.219 -0.301 . . . . 15.0 110.462 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.609 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.8 p80 -111.84 5.11 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.783 HG12 HD21 ' A' ' 26' ' ' ASN . 36.2 pt -81.93 -41.34 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 119.573 -0.851 . . . . 15.0 108.757 172.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 m -90.13 -22.81 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.618 -0.719 . . . . 15.0 109.675 169.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.6 t30 73.81 25.96 1.89 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.095 -0.957 . . . . 15.0 109.849 -177.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 136.74 38.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.261 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.0 m -106.09 114.73 29.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.848 -0.615 . . . . 15.0 110.243 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.411 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 17.3 mm-40 -122.24 124.06 42.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.904 0.705 . . . . 15.0 112.904 -171.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.737 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 21.4 m95 -80.13 -56.47 4.2 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.862 0.839 . . . . 15.0 109.459 170.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.53 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 0.0 OUTLIER -71.82 159.21 34.71 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 113.895 -1.502 . . . . 15.0 108.479 -177.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -69.56 117.03 49.04 Favored Pre-proline 0 N--CA 1.466 0.363 0 N-CA-C 112.408 0.522 . . . . 15.0 112.408 -163.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.54 -53.58 6.83 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.888 3.059 . . . . 15.0 113.296 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -150.52 -95.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.521 -0.548 . . . . 15.0 109.521 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.982 0 CA-C-O 118.972 -0.905 . . . . 15.0 110.982 177.083 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 109.256 -0.646 . . . . 15.0 109.256 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 22.6 mt -107.13 89.89 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 108.213 -1.032 . . . . 15.0 108.213 168.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.433 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.737 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 11.8 Cg_exo -76.08 144.04 26.41 Favored 'Trans proline' 0 C--N 1.31 -1.496 1 C-N-CA 126.91 5.073 . . . . 15.0 114.918 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.532 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 55.6 Cg_endo -71.65 131.96 19.51 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 124.856 3.704 . . . . 15.0 110.651 157.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.672 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 2.4 mp -71.07 150.52 94.81 Favored Pre-proline 0 CA--C 1.511 -0.551 0 CA-C-O 121.923 0.868 . . . . 15.0 110.295 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.53 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 39.2 Cg_exo -56.23 -9.99 4.08 Favored 'Trans proline' 0 C--N 1.323 -0.801 0 C-N-CA 124.749 3.633 . . . . 15.0 113.373 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.694 -0.669 . . . . 15.0 109.954 177.834 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.704 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 2.0 pt? . . . . . 0 CA--C 1.555 1.138 0 N-CA-C 114.921 1.452 . . . . 15.0 114.921 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.704 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 4.4 Cg_endo -47.74 -39.09 30.62 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.142 1.894 . . . . 15.0 115.993 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 11.3 Cg_endo -55.31 -29.9 69.76 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 121.952 1.768 . . . . 15.0 113.333 177.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.78 -10.16 53.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.426 -0.893 . . . . 15.0 112.863 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.657 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 38.5 m95 -113.61 124.08 51.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.344 0.592 . . . . 15.0 110.554 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -89.69 142.24 27.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.715 -173.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -89.94 94.93 10.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.857 0.837 . . . . 15.0 110.01 170.659 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -116.45 150.48 37.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.095 -1.411 . . . . 15.0 109.097 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -89.38 136.73 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.476 0.655 . . . . 15.0 110.454 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.601 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 16.1 m -89.87 134.86 33.97 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 114.659 -1.155 . . . . 15.0 109.028 -176.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 17' ' ' ARG . 42.3 ttt-85 -69.5 -70.08 0.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.82 1.325 . . . . 15.0 113.269 -160.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 m -71.55 -42.02 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.687 0.625 . . . . 15.0 112.687 -171.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 t -90.27 -15.02 32.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.448 0.536 . . . . 15.0 112.448 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.08 6.33 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.353 -0.927 . . . . 15.0 112.152 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.577 ' H ' ' HB2' ' A' ' 16' ' ' SER . 90.2 mtt180 -124.91 150.33 46.65 Favored 'General case' 0 C--O 1.211 -0.967 0 O-C-N 122.75 -0.264 . . . . 15.0 111.211 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.701 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 2.5 m -89.47 89.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.281 -0.887 . . . . 15.0 110.469 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.666 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 8.6 p90 -93.49 148.91 21.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 15.0 109.776 -176.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.401 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 73.4 m-85 -91.55 108.56 19.98 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.865 0.364 . . . . 15.0 110.461 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.652 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 8.5 t80 -93.68 119.22 32.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.727 0.299 . . . . 15.0 110.202 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.866 HD21 HG12 ' A' ' 28' ' ' ILE . 18.8 t-20 -105.37 132.67 51.27 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 122.005 -0.434 . . . . 15.0 110.399 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.652 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.4 p80 -108.76 -2.35 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.866 HG12 HD21 ' A' ' 26' ' ' ASN . 49.4 pt -75.56 -44.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 119.347 -0.941 . . . . 15.0 109.081 174.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.447 ' N ' HG13 ' A' ' 28' ' ' ILE . 8.4 m -90.32 -14.17 33.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.403 170.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 3.7 t-20 68.99 22.82 6.84 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.752 0.787 . . . . 15.0 109.985 -177.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.18 125.14 39.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 15.0 111.111 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.9 m -95.52 109.62 21.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.07 -0.513 . . . . 15.0 110.293 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.657 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 45.2 mt-30 -113.35 141.0 47.57 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 120.954 0.407 . . . . 15.0 111.468 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.858 ' H ' HD23 ' B' ' 213' ' ' LEU . 13.6 m0 -104.85 -27.85 11.49 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 122.501 1.144 . . . . 15.0 108.162 172.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -83.21 153.66 24.63 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 112.636 -2.075 . . . . 15.0 108.062 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.61 ' HD2' ' O ' ' A' ' 39' ' ' GLY . 29.3 ttm180 -69.66 122.67 86.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.994 0.426 . . . . 15.0 111.228 -168.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.663 ' HB2' HD11 ' A' ' 7' ' ' LEU . 13.7 Cg_endo -58.61 -29.79 90.17 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.863 3.042 . . . . 15.0 114.305 -170.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 m -106.12 -0.45 24.7 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.114 -0.234 . . . . 15.0 111.312 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.61 ' O ' ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.529 -1.15 . . . . 15.0 111.581 -176.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.705 0.288 . . . . 15.0 110.761 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . 0.514 HD12 ' H ' ' B' ' 209' ' ' ILE . 1.0 OUTLIER -102.24 90.02 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.215 -0.661 . . . . 15.0 109.215 176.512 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.403 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.561 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 7.7 Cg_exo -81.21 123.81 4.62 Favored 'Trans proline' 0 C--N 1.313 -1.305 1 C-N-CA 127.598 5.532 . . . . 15.0 114.349 177.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 60.1 Cg_endo -74.67 99.49 1.23 Allowed 'Trans proline' 0 C--N 1.301 -1.956 0 C-N-CA 124.236 3.291 . . . . 15.0 111.812 164.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.858 HD23 ' H ' ' A' ' 34' ' ' TRP . 1.9 mp -124.56 139.0 32.14 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-O 120.811 0.339 . . . . 15.0 110.632 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -78.1 -9.81 16.56 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 123.18 2.587 . . . . 15.0 113.655 -173.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.788 -0.625 . . . . 15.0 110.8 -177.332 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.476 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 2.4 pt? . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 113.44 0.904 . . . . 15.0 113.44 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.595 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 14.2 Cg_endo -57.46 -35.5 98.85 Favored 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 121.521 1.48 . . . . 15.0 115.489 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 19.2 Cg_endo -57.91 -29.73 87.33 Favored 'Trans proline' 0 C--N 1.364 1.376 0 C-N-CA 122.049 1.832 . . . . 15.0 112.916 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.88 -45.97 10.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.692 -0.766 . . . . 15.0 112.912 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.601 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 15.9 m95 -89.81 142.22 27.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.76 0.314 . . . . 15.0 111.16 -173.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.813 ' HG2' ' O ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.84 146.45 24.43 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.298 0.571 . . . . 15.0 111.487 -179.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.773 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 42.6 mmtt -89.79 105.74 18.0 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.686 0.755 . . . . 15.0 109.046 172.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -117.71 150.0 39.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.576 -1.193 . . . . 15.0 108.94 -174.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.3 mmt -89.51 134.15 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.541 0.686 . . . . 15.0 112.139 -168.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.56 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 15.0 m -89.78 129.08 36.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.549 -1.205 . . . . 15.0 108.041 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.476 ' HB3' ' O3P' ' B' ' 210' ' ' SEP . 20.0 ttt180 -69.56 -70.25 0.29 Allowed 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.121 0.888 . . . . 15.0 112.702 -164.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.0 p -70.19 -30.38 67.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.485 0.55 . . . . 15.0 112.485 -172.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 p -90.18 -20.61 22.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.567 0.58 . . . . 15.0 112.567 -175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.07 48.37 76.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.562 -0.827 . . . . 15.0 111.324 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' H ' ' HB2' ' A' ' 16' ' ' SER . 36.4 mtp180 -117.0 150.12 39.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 120.7 0.285 . . . . 15.0 111.414 -173.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.719 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -89.89 90.21 3.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 120.445 -0.502 . . . . 15.0 110.76 173.587 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.7 p90 -89.89 150.18 22.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.773 ' CE1' ' HE2' ' A' ' 13' ' ' LYS . 57.4 m-85 -89.69 109.71 20.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.261 0.553 . . . . 15.0 110.531 -177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.813 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.6 t80 -100.58 143.37 30.83 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.372 -1.344 . . . . 15.0 107.372 173.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.639 ' OD1' HG12 ' A' ' 28' ' ' ILE . 1.2 t-20 -150.11 115.22 5.39 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.942 -0.703 . . . . 15.0 110.747 170.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.76 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 2.8 p80 -84.43 3.27 36.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -175.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.639 HG12 ' OD1' ' A' ' 26' ' ' ASN . 17.1 pt -70.4 -40.61 77.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.352 -0.981 . . . . 15.0 108.352 170.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 28' ' ' ILE . 18.6 m -90.23 -21.15 22.27 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.655 169.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.76 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.7 t-20 72.47 14.62 5.26 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.009 -0.996 . . . . 15.0 109.611 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 150.04 21.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.15 -0.932 . . . . 15.0 110.909 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 t -117.71 107.99 14.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.852 -0.796 . . . . 15.0 108.852 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -124.23 100.59 6.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.458 0.647 . . . . 15.0 112.461 -169.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.601 ' H ' ' CD2' ' B' ' 213' ' ' LEU . 10.0 m0 -70.08 -40.11 75.21 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 107.873 -1.158 . . . . 15.0 107.873 166.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.507 ' H ' HD23 ' B' ' 213' ' ' LEU . 13.0 pt-20 -70.05 143.98 52.32 Favored 'General case' 0 N--CA 1.432 -1.334 0 CA-C-N 112.801 -2.0 . . . . 15.0 108.083 176.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -69.74 126.63 92.64 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -163.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -59.76 -44.27 32.3 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 123.162 2.575 . . . . 15.0 111.842 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t 176.62 -81.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.031 -0.986 . . . . 15.0 108.407 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 110.668 -0.973 . . . . 15.0 110.668 176.431 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 110.015 -0.365 . . . . 15.0 110.015 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 8.4 mt -118.3 90.24 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.065 -0.254 . . . . 15.0 110.687 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.522 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.535 ' HA ' ' HD2' ' B' ' 212' ' ' PRO . 15.7 Cg_exo -76.31 119.58 5.33 Favored 'Trans proline' 0 C--N 1.31 -1.476 1 C-N-CA 126.905 5.07 . . . . 15.0 113.81 178.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.547 ' O ' HD12 ' B' ' 213' ' ' LEU . 54.3 Cg_endo -71.71 99.57 0.97 Allowed 'Trans proline' 0 C--N 1.303 -1.858 0 C-N-CA 123.709 2.939 . . . . 15.0 111.26 168.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.601 ' CD2' ' H ' ' A' ' 34' ' ' TRP . 4.1 mp -128.79 134.34 26.19 Favored Pre-proline 0 N--CA 1.469 0.488 0 N-CA-C 109.782 -0.451 . . . . 15.0 109.782 -177.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -80.75 -9.63 13.22 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.183 2.589 . . . . 15.0 113.293 -173.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.497 -0.764 . . . . 15.0 110.655 -176.578 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HD2' ' CD1' ' A' ' 11' ' ' TRP . 52.0 Cg_exo -55.82 143.71 80.04 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.875 2.384 . . . . 15.0 111.86 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.72 -29.41 14.52 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.539 2.826 . . . . 15.0 112.709 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.638 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -62.52 -11.49 35.26 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.601 -0.727 . . . . 15.0 114.018 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.537 ' CE3' ' HB3' ' A' ' 24' ' ' TYR . 83.8 m95 -89.83 110.98 21.87 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 117.568 0.684 . . . . 15.0 109.922 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -114.65 139.84 49.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.841 -0.618 . . . . 15.0 109.529 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 2.0 mtpm? -89.73 98.16 11.61 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 122.262 1.03 . . . . 15.0 109.707 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -106.03 150.46 25.72 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.259 -1.792 . . . . 15.0 109.277 -170.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 58.4 mtm -89.51 125.93 35.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.985 0.422 . . . . 15.0 110.333 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.5 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 34.7 p -89.81 131.44 35.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.51 -0.768 . . . . 15.0 110.229 -178.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' HB3' ' P ' ' B' ' 210' ' ' SEP . 31.2 ttt-85 -69.93 -37.41 75.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.413 -1.267 . . . . 15.0 112.881 -169.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 p -69.9 -63.99 0.97 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 112.239 0.459 . . . . 15.0 112.239 -171.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.58 ' HB3' ' HZ3' ' A' ' 34' ' ' TRP . 8.2 t -89.98 -10.31 45.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.756 0.28 . . . . 15.0 111.756 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.78 59.89 5.72 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.536 -0.84 . . . . 15.0 111.314 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -136.2 150.16 48.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.704 0.288 . . . . 15.0 110.549 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 m -89.42 101.23 11.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.694 0.759 . . . . 15.0 110.26 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.936 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 15.2 p90 -103.82 150.47 24.08 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.744 -1.116 . . . . 15.0 109.782 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.537 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 59.9 m-85 -89.09 101.05 13.71 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.356 0.598 . . . . 15.0 109.691 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.75 ' HE1' ' HD2' ' A' ' 27' ' ' HIS . 18.9 t80 -92.01 120.46 32.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.289 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.638 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 2.0 p30 -114.14 127.15 55.78 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.301 -0.56 . . . . 15.0 109.627 178.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.75 ' HD2' ' HE1' ' A' ' 25' ' ' PHE . 2.2 p80 -101.7 8.98 41.38 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.681 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -72.1 -50.29 37.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.585 -1.265 . . . . 15.0 107.585 170.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.2 m -90.0 -19.24 24.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.647 -1.16 . . . . 15.0 110.072 173.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 11.5 t-20 74.63 16.99 3.07 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.867 0.841 . . . . 15.0 109.63 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.22 139.04 31.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.31 -0.859 . . . . 15.0 110.839 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -104.11 111.28 23.8 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -117.54 110.06 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.902 0.382 . . . . 15.0 111.951 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.936 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 14.3 m95 -69.93 -37.29 75.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.099 0.952 . . . . 15.0 109.041 170.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.603 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 4.6 pt-20 -74.9 148.41 40.13 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 113.395 -1.73 . . . . 15.0 108.497 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -69.51 129.38 91.57 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.588 -167.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.58 -44.53 39.67 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 123.83 3.02 . . . . 15.0 112.811 -176.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -155.21 132.23 10.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.324 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.249 -1.306 . . . . 15.0 111.331 177.304 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.837 0.351 . . . . 15.0 110.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 4.5 pt -140.27 89.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.015 -0.538 . . . . 15.0 110.48 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.518 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.702 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 11.5 Cg_exo -77.25 145.57 24.33 Favored 'Trans proline' 0 C--N 1.31 -1.46 1 C-N-CA 126.893 5.062 . . . . 15.0 115.188 -177.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.529 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 48.6 Cg_endo -71.39 145.28 47.61 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 124.819 3.679 . . . . 15.0 110.442 156.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.668 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 2.6 mp -79.93 135.53 55.26 Favored Pre-proline 0 N--CA 1.467 0.408 0 CA-C-O 121.599 0.714 . . . . 15.0 110.073 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.603 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 34.2 Cg_exo -56.45 -10.17 4.61 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 125.066 3.844 . . . . 15.0 114.969 -172.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . 0.465 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 2.7 p90 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.214 -0.898 . . . . 15.0 110.597 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.67 HD12 ' HD2' ' A' ' 8' ' ' PRO . 48.8 tp . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.67 ' HD2' HD12 ' A' ' 7' ' ' LEU . 53.6 Cg_exo -53.45 133.99 55.64 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.114 2.543 . . . . 15.0 113.112 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 32.1 Cg_exo -57.12 -29.6 83.89 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.291 2.661 . . . . 15.0 111.944 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -57.57 -10.18 5.75 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-N 115.43 -0.804 . . . . 15.0 114.261 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.725 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 75.2 m95 -89.76 104.67 17.21 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 117.501 0.651 . . . . 15.0 109.658 176.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 4.0 mm-40 -89.93 147.71 23.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.731 -1.122 . . . . 15.0 109.742 -174.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -97.75 98.87 10.22 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.539 0.685 . . . . 15.0 109.646 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -115.52 150.59 36.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.864 -1.062 . . . . 15.0 109.869 -171.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -89.51 130.49 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.532 0.682 . . . . 15.0 109.724 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.718 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 m -89.76 124.26 34.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.733 -1.121 . . . . 15.0 110.753 -172.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.48 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 43.2 ttt-85 -69.93 -27.94 65.18 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 125.141 1.526 . . . . 15.0 113.189 -169.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.519 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 7.9 t -85.18 -68.27 0.74 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.822 0.344 . . . . 15.0 111.462 -172.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.485 ' HB3' ' HG2' ' A' ' 21' ' ' ARG . 20.2 t -89.85 -9.82 47.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.819 0.303 . . . . 15.0 111.819 -172.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.12 60.19 3.17 Favored Glycine 0 C--O 1.227 -0.285 0 N-CA-C 110.413 -1.075 . . . . 15.0 110.413 -174.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.574 ' H ' ' HB2' ' A' ' 16' ' ' SER . 22.3 mmt180 -124.74 150.96 45.67 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-N 115.346 -0.427 . . . . 15.0 112.039 -167.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.42 92.1 3.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.083 -1.081 . . . . 15.0 108.083 172.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' HD1' ' HG ' ' A' ' 16' ' ' SER . 9.3 p90 -95.84 143.88 26.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.238 0.542 . . . . 15.0 109.888 -175.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.523 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 59.4 m-85 -89.96 103.99 16.6 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.298 -0.865 . . . . 15.0 109.355 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.791 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 39.2 t80 -90.83 112.25 23.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.815 -0.439 . . . . 15.0 109.815 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.693 HD21 HG12 ' A' ' 28' ' ' ILE . 18.6 t-20 -104.28 125.94 50.96 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 122.165 -0.334 . . . . 15.0 110.443 178.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.791 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.0 p80 -106.37 14.82 26.86 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.102 0.779 . . . . 15.0 113.102 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.693 HG12 HD21 ' A' ' 26' ' ' ASN . 36.9 pt -83.01 -47.99 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 118.956 -1.097 . . . . 15.0 108.73 171.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.538 HG22 ' OD1' ' A' ' 26' ' ' ASN . 8.9 t -90.43 -11.25 40.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.42 -0.355 . . . . 15.0 110.97 170.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t30 60.17 60.14 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.895 0.855 . . . . 15.0 109.789 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.53 124.67 25.9 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.092 -0.958 . . . . 15.0 109.867 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.3 p -95.08 116.2 28.4 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.244 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.725 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 25.2 mm-40 -121.03 102.52 8.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 15.0 112.356 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.718 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.4 m0 -70.14 -42.14 72.94 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 107.762 -1.199 . . . . 15.0 107.762 169.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.644 ' H ' HD23 ' B' ' 213' ' ' LEU . 13.4 pt-20 -70.29 154.0 42.41 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 112.706 -2.043 . . . . 15.0 108.151 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 30.2 ttt180 -69.82 127.66 92.38 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-O 120.665 0.269 . . . . 15.0 111.281 -165.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 51.7 Cg_exo -54.85 -33.92 83.4 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.411 2.741 . . . . 15.0 111.603 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 t -135.17 109.01 8.07 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.459 -0.941 . . . . 15.0 108.459 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.984 -0.898 . . . . 15.0 112.978 -175.361 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.132 -0.322 . . . . 15.0 110.132 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.69 89.59 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.374 0.607 . . . . 15.0 110.744 175.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.483 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.667 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 8.0 Cg_exo -77.65 123.4 6.39 Favored 'Trans proline' 0 C--N 1.303 -1.822 1 C-N-CA 126.653 4.902 . . . . 15.0 113.739 179.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.542 ' O ' HD12 ' B' ' 213' ' ' LEU . 50.6 Cg_endo -71.0 99.55 0.89 Allowed 'Trans proline' 0 C--N 1.3 -1.991 0 C-N-CA 123.598 2.865 . . . . 15.0 111.229 166.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 35' ' ' GLU . 3.3 mp -125.79 145.31 51.27 Favored Pre-proline 0 N--CA 1.47 0.543 0 N-CA-C 108.693 -0.855 . . . . 15.0 108.693 178.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.79 -9.85 15.28 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.748 2.966 . . . . 15.0 115.584 -167.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 119.003 -0.523 . . . . 15.0 111.801 -175.769 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' HB3' ' CD ' ' A' ' 8' ' ' PRO . 10.1 tt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 119.345 -0.36 . . . . 15.0 111.744 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.482 ' CD ' ' HB3' ' A' ' 7' ' ' LEU . 3.7 Cg_endo -43.33 -47.57 8.88 Favored 'Trans proline' 0 CA--C 1.547 1.129 0 C-N-CA 123.61 2.873 . . . . 15.0 115.832 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 18.5 Cg_endo -57.91 -29.84 87.72 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.251 1.968 . . . . 15.0 113.415 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.824 ' HA3' HD12 ' A' ' 28' ' ' ILE . . . -98.34 -35.92 4.81 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.749 -0.738 . . . . 15.0 112.729 -176.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.739 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 52.9 m95 -91.64 106.58 18.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.28 0.562 . . . . 15.0 109.905 178.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -102.28 150.49 23.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.876 -173.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HE3' ' HE1' ' A' ' 24' ' ' TYR . 15.7 mmtp -89.64 106.59 18.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.564 0.697 . . . . 15.0 110.354 176.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -128.46 147.59 50.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.811 -1.086 . . . . 15.0 108.555 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.7 ttp -91.32 139.19 30.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.161 0.505 . . . . 15.0 111.157 -176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.419 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 40.8 p -89.69 145.18 25.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.223 -0.899 . . . . 15.0 109.233 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.579 ' HB3' ' O2P' ' B' ' 210' ' ' SEP . 33.5 ttp85 -69.82 -70.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.449 -1.25 . . . . 15.0 113.834 -157.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.9 m -79.69 -19.06 49.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 15.0 111.913 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -90.21 -24.69 20.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.293 -0.412 . . . . 15.0 112.095 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.79 45.92 95.23 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.244 -174.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -123.79 150.64 44.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 115.55 -0.325 . . . . 15.0 111.104 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 m -89.34 111.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.782 0.801 . . . . 15.0 110.32 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.675 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -113.47 150.63 32.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.908 -1.042 . . . . 15.0 109.494 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.739 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 51.8 m-85 -89.52 103.09 15.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.967 -0.383 . . . . 15.0 109.967 -176.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.664 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.4 t80 -89.93 115.38 27.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.213 0.53 . . . . 15.0 109.975 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.589 HD21 ' HB ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -103.76 133.78 48.18 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.877 -0.786 . . . . 15.0 108.877 178.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.664 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 8.9 p80 -117.05 4.36 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.119 -0.632 . . . . 15.0 112.317 175.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.824 HD12 ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -72.66 -44.64 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 108.561 -0.903 . . . . 15.0 108.561 172.288 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.589 ' HB ' HD21 ' A' ' 26' ' ' ASN . 5.2 m -90.3 -20.17 23.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.494 -0.775 . . . . 15.0 110.047 169.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 15.1 t30 64.44 60.11 0.95 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 122.48 1.133 . . . . 15.0 109.255 -173.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.59 123.35 23.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.142 -1.39 . . . . 15.0 109.157 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -89.88 98.92 12.05 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.014 0.435 . . . . 15.0 109.939 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.8 mm100 -110.37 105.4 14.38 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 112.453 0.538 . . . . 15.0 112.453 -169.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.833 ' HE1' ' HD2' ' B' ' 211' ' ' PRO . 9.7 m0 -69.72 -38.46 76.9 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 107.738 -1.208 . . . . 15.0 107.738 169.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.632 ' H ' HD23 ' B' ' 213' ' ' LEU . 10.2 pt-20 -72.62 119.1 16.37 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 113.018 -1.901 . . . . 15.0 108.199 176.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.592 ' HD2' ' HA2' ' A' ' 39' ' ' GLY . 34.4 ptt180 -69.93 148.37 96.26 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.709 . . . . 15.0 112.544 -165.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.35 -29.85 45.49 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.314 2.676 . . . . 15.0 112.303 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.9 t -162.45 -53.14 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.967 -0.56 . . . . 15.0 109.937 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.592 ' HA2' ' HD2' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.875 -0.958 . . . . 15.0 111.357 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.494 0.188 . . . . 15.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 28.9 mt -80.0 125.19 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.197 -173.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.579 ' O2P' ' HB3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.833 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 16.7 Cg_exo -75.42 123.64 7.79 Favored 'Trans proline' 0 C--N 1.309 -1.533 1 C-N-CA 126.813 5.009 . . . . 15.0 113.779 176.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.536 ' O ' HD12 ' B' ' 213' ' ' LEU . 49.5 Cg_endo -70.25 99.35 0.79 Allowed 'Trans proline' 0 C--N 1.3 -2.001 0 C-N-CA 123.472 2.781 . . . . 15.0 112.104 169.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.632 HD23 ' H ' ' A' ' 35' ' ' GLU . 2.3 mp -131.19 156.24 80.41 Favored Pre-proline 0 N--CA 1.479 0.981 0 N-CA-C 108.486 -0.931 . . . . 15.0 108.486 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.75 -9.72 26.81 Favored 'Trans proline' 0 CA--C 1.534 0.49 0 C-N-CA 123.06 2.507 . . . . 15.0 114.002 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.792 -0.623 . . . . 15.0 110.887 -176.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.245 -0.65 . . . . 15.0 109.245 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.15 126.97 21.61 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.676 2.251 . . . . 15.0 112.605 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.17 -29.58 29.39 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.843 3.029 . . . . 15.0 113.248 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.97 -13.05 17.58 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 116.242 -0.436 . . . . 15.0 113.764 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.751 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 72.9 m95 -89.71 111.75 22.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.29 0.545 . . . . 15.0 109.964 176.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -103.69 150.7 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.849 -0.614 . . . . 15.0 110.849 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 15.0 mmtp -89.38 104.91 17.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.813 0.816 . . . . 15.0 110.068 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -120.68 143.63 48.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.519 -1.219 . . . . 15.0 108.881 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.6 mtt -89.71 136.49 33.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.449 0.643 . . . . 15.0 111.555 -174.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.9 p -89.93 145.52 25.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.957 -1.02 . . . . 15.0 109.847 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.95 -69.71 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.865 1.353 . . . . 15.0 113.733 -162.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -76.4 -33.82 58.85 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.591 0.589 . . . . 15.0 112.591 -167.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -90.13 -13.76 35.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.736 -0.386 . . . . 15.0 111.372 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.14 57.74 18.23 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.08 -0.581 . . . . 15.0 111.981 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -130.04 150.26 51.39 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.348 0.118 . . . . 15.0 110.973 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.701 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.55 100.19 10.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.003 0.906 . . . . 15.0 110.759 178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.664 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 24.2 p90 -99.47 150.48 22.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.55 -1.205 . . . . 15.0 108.647 178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.751 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 54.3 m-85 -89.5 108.29 19.57 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.289 0.566 . . . . 15.0 109.861 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.738 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 41.7 t80 -93.04 117.53 30.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 15.0 109.375 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.645 HD21 HG12 ' A' ' 28' ' ' ILE . 16.4 t-20 -113.98 113.92 25.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.179 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.738 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.9 p80 -94.61 2.93 55.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.252 0.834 . . . . 15.0 113.252 -175.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.645 HG12 HD21 ' A' ' 26' ' ' ASN . 46.0 pt -76.84 -40.55 31.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.033 -1.067 . . . . 15.0 108.666 171.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.4 m -90.34 -18.8 24.89 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.703 170.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 71.48 11.54 6.57 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 121.882 0.849 . . . . 15.0 109.901 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.6 137.26 32.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.764 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -109.96 111.81 23.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.839 -0.619 . . . . 15.0 110.109 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.617 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.6 mm-40 -114.64 111.62 21.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.173 0.511 . . . . 15.0 112.373 -171.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.664 ' HA ' ' HB2' ' A' ' 23' ' ' TYR . 14.9 m95 -70.2 -39.96 74.87 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.775 0.798 . . . . 15.0 109.86 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.472 ' HB3' ' HE1' ' B' ' 215' ' ' PHE . 5.5 pt-20 -83.8 159.99 21.3 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.5 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.569 ' HD3' ' OXT' ' A' ' 39' ' ' GLY . 37.1 ttt-85 -69.96 123.77 89.36 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.167 0.508 . . . . 15.0 112.198 -165.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -61.5 -30.0 85.76 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.828 3.019 . . . . 15.0 113.553 -176.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 p -96.21 0.73 51.49 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.149 0.425 . . . . 15.0 112.149 -173.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.569 ' OXT' ' HD3' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.248 1.019 0 C-N-CA 120.302 -0.952 . . . . 15.0 111.963 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 208' ' ' ARG . 6.3 tpm_? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.1 -0.333 . . . . 15.0 110.1 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 30.0 mt -79.93 131.95 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.105 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.544 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.646 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 20.7 Cg_exo -69.98 135.95 31.18 Favored 'Trans proline' 0 C--N 1.307 -1.614 1 C-N-CA 126.487 4.791 . . . . 15.0 114.952 -175.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.516 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 47.2 Cg_endo -70.32 125.09 11.47 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 124.458 3.438 . . . . 15.0 110.861 161.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.835 ' H ' HD12 ' B' ' 213' ' ' LEU . 1.2 mp -68.89 141.64 92.54 Favored Pre-proline 0 CA--C 1.503 -0.862 0 N-CA-C 108.73 -0.841 . . . . 15.0 108.73 177.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' B' ' 213' ' ' LEU . 44.9 Cg_exo -55.08 -9.81 2.39 Favored 'Trans proline' 0 C--N 1.319 -1.018 0 C-N-CA 124.842 3.694 . . . . 15.0 113.654 -175.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . 0.472 ' HE1' ' HB3' ' A' ' 35' ' ' GLU . 11.9 p90 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 119.043 -0.503 . . . . 15.0 110.133 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.724 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 2.1 pt? . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 114.497 1.295 . . . . 15.0 114.497 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.724 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 4.1 Cg_endo -46.85 -35.54 18.16 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.452 2.102 . . . . 15.0 116.078 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 7.4 Cg_endo -52.37 -29.81 40.57 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 121.987 1.791 . . . . 15.0 113.191 173.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.04 -24.91 5.55 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.605 -0.807 . . . . 15.0 112.494 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.731 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 45.9 m95 -102.92 108.68 19.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.186 0.517 . . . . 15.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -89.92 145.8 24.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.358 -0.837 . . . . 15.0 109.009 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.707 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.4 mtpt -94.29 99.77 11.94 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.754 0.788 . . . . 15.0 109.572 171.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.606 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 2.9 tpm_? -103.94 150.43 24.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.382 -1.281 . . . . 15.0 109.729 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -89.52 126.98 35.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.495 0.664 . . . . 15.0 110.518 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.43 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 16.5 p -89.81 149.33 22.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.517 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -69.62 -47.7 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.936 1.398 . . . . 15.0 113.715 -162.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.8 m -69.8 -65.52 0.71 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -169.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 p -89.98 -9.98 46.7 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.2 57.61 6.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.373 -0.918 . . . . 15.0 110.888 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 21' ' ' ARG . 18.1 mtp180 -122.38 150.29 42.63 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.971 0.36 . . . . 15.0 111.971 -170.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.707 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -89.3 94.02 4.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.913 0.863 . . . . 15.0 110.877 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 26.7 p90 -90.06 150.59 22.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.099 -1.409 . . . . 15.0 109.048 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.731 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 95.4 m-85 -89.19 112.43 23.45 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.445 -0.576 . . . . 15.0 109.445 -176.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.695 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 28.4 t80 -105.3 122.12 45.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.152 -174.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.558 HD21 HG12 ' A' ' 28' ' ' ILE . 4.5 t-20 -112.52 118.16 34.36 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.75 -0.594 . . . . 15.0 110.482 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.695 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.8 p80 -93.83 -7.89 42.03 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.511 0.93 . . . . 15.0 113.511 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.558 HG12 HD21 ' A' ' 26' ' ' ASN . 36.1 pt -71.06 -42.65 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 119.337 -0.945 . . . . 15.0 109.053 175.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.528 ' N ' HG13 ' A' ' 28' ' ' ILE . 30.9 p -90.23 -18.43 25.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.416 174.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 70.85 16.49 6.61 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.277 -0.874 . . . . 15.0 109.614 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.04 149.94 22.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.616 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' B' ' 211' ' ' PRO . 70.3 m -129.09 121.65 28.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.408 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 21.4 mt-30 -121.99 111.83 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.424 0.527 . . . . 15.0 112.424 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.71 ' CG ' ' HG ' ' B' ' 213' ' ' LEU . 9.9 m95 -70.44 -31.08 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.004 0.907 . . . . 15.0 109.109 170.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' HB3' ' HD2' ' B' ' 214' ' ' PRO . 0.0 OUTLIER -91.96 154.89 18.52 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.591 -1.64 . . . . 15.0 107.934 179.062 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -69.99 141.19 89.13 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 112.283 0.475 . . . . 15.0 112.283 -160.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 28.0 Cg_exo -60.04 -34.31 94.82 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 123.231 2.621 . . . . 15.0 112.887 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.8 p -166.29 120.47 1.13 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.066 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.749 0 CA-C-O 118.78 -1.011 . . . . 15.0 112.038 179.302 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 109.851 -0.426 . . . . 15.0 109.851 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 9.2 pt -120.1 89.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.938 -0.574 . . . . 15.0 109.787 173.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.546 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.709 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 3.0 Cg_exo -80.45 140.96 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.716 1 C-N-CA 126.74 4.96 . . . . 15.0 114.724 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.547 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 44.7 Cg_endo -69.98 142.72 47.67 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 124.622 3.548 . . . . 15.0 109.826 158.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.71 ' HG ' ' CG ' ' A' ' 34' ' ' TRP . 1.8 mp -82.1 142.04 47.41 Favored Pre-proline 0 CA--C 1.515 -0.383 0 CA-C-O 121.888 0.852 . . . . 15.0 110.09 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 35' ' ' GLU . 31.5 Cg_exo -56.54 -9.83 4.3 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 125.141 3.894 . . . . 15.0 115.112 -174.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.608 -0.711 . . . . 15.0 110.888 -177.38 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.547 ' HG ' ' CD1' ' A' ' 11' ' ' TRP . 10.1 tt . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 119.458 -0.306 . . . . 15.0 111.607 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.503 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 Cg_endo -42.29 -46.53 7.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 123.654 2.903 . . . . 15.0 115.712 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 11.3 Cg_endo -53.39 -29.89 50.39 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.519 2.146 . . . . 15.0 113.625 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.12 -37.65 4.3 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.451 -0.881 . . . . 15.0 112.966 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.854 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 54.2 m95 -91.75 116.96 29.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.951 0.405 . . . . 15.0 111.328 -175.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -106.85 144.07 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.952 -0.759 . . . . 15.0 108.952 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -89.9 91.86 8.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 122.352 1.072 . . . . 15.0 110.728 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -97.05 150.4 20.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.26 -1.791 . . . . 15.0 108.802 -175.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.0 mtt -89.46 142.79 27.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.532 0.682 . . . . 15.0 112.052 -170.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.523 ' HB3' ' CH2' ' A' ' 34' ' ' TRP . 16.3 m -89.55 132.3 35.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.689 -1.141 . . . . 15.0 109.108 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.602 ' NH1' ' HD3' ' B' ' 208' ' ' ARG . 20.0 ttp180 -70.23 -70.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.977 1.423 . . . . 15.0 113.564 -159.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.9 m -88.08 -14.42 38.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.183 0.516 . . . . 15.0 111.195 -172.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -90.33 -22.96 21.28 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.993 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.63 57.37 18.11 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.709 -0.757 . . . . 15.0 111.388 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 21' ' ' ARG . 22.1 ttt180 -136.39 150.78 48.96 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.97 -0.115 . . . . 15.0 110.92 -171.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.61 122.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 O-C-N 121.532 -0.73 . . . . 15.0 110.863 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.6 p90 -126.52 150.31 48.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.073 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.854 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 77.2 m-85 -89.98 109.32 20.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.218 0.532 . . . . 15.0 110.44 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.642 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 27.9 t80 -100.62 119.66 38.89 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.026 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.698 ' OD1' HG12 ' A' ' 28' ' ' ILE . 51.0 t-20 -110.66 126.69 54.78 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.642 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.7 p80 -107.12 5.43 27.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.227 0.825 . . . . 15.0 113.227 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.698 HG12 ' OD1' ' A' ' 26' ' ' ASN . 24.1 pt -78.35 -40.37 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 107.804 -1.184 . . . . 15.0 107.804 169.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.501 ' N ' HG13 ' A' ' 28' ' ' ILE . 39.5 p -90.32 -20.64 22.66 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.863 -1.062 . . . . 15.0 110.215 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 12.6 t-20 68.51 22.61 7.67 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.213 -0.903 . . . . 15.0 109.618 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB1' HE21 ' A' ' 33' ' ' GLN . . . -102.6 129.77 49.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.478 -0.783 . . . . 15.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.3 m -96.56 118.37 32.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.793 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.701 HE21 ' HB1' ' A' ' 31' ' ' ALA . 71.9 mm-40 -124.29 113.33 18.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 15.0 111.451 -174.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.67 ' HE1' ' HD2' ' B' ' 211' ' ' PRO . 13.0 m0 -84.7 -35.06 22.8 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.188 0.994 . . . . 15.0 109.082 175.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -82.64 149.38 27.43 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 113.621 -1.627 . . . . 15.0 106.854 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -69.84 132.22 88.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 112.515 0.561 . . . . 15.0 112.515 -159.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 9.6 Cg_endo -55.92 -29.94 75.27 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 123.735 2.957 . . . . 15.0 112.824 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 p -97.49 109.48 22.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.134 0.492 . . . . 15.0 110.804 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.372 -1.238 . . . . 15.0 111.344 -179.805 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . 0.602 ' HD3' ' NH1' ' A' ' 17' ' ' ARG . 8.8 ptp180 . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.676 0.274 . . . . 15.0 110.294 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 30.1 mt -136.88 114.59 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.76 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.52 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.67 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 14.1 Cg_exo -75.67 119.03 5.3 Favored 'Trans proline' 0 C--N 1.312 -1.382 1 C-N-CA 126.865 5.044 . . . . 15.0 113.56 177.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.544 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 51.3 Cg_endo -70.97 99.22 0.86 Allowed 'Trans proline' 0 C--N 1.298 -2.083 0 C-N-CA 123.521 2.814 . . . . 15.0 112.023 169.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.665 ' CD2' ' H ' ' A' ' 34' ' ' TRP . 1.3 mp -123.28 134.79 25.4 Favored Pre-proline 0 N--CA 1.472 0.644 0 N-CA-C 108.52 -0.918 . . . . 15.0 108.52 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.49 -10.04 23.43 Favored 'Trans proline' 0 C--N 1.331 -0.387 0 C-N-CA 123.277 2.651 . . . . 15.0 113.755 -166.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.383 -0.817 . . . . 15.0 110.492 -178.369 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.606 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 12.6 tp . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 112.192 0.441 . . . . 15.0 112.192 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 3.2 Cg_endo -47.26 -38.27 25.64 Favored 'Trans proline' 0 CA--C 1.551 1.326 0 C-N-CA 123.013 2.476 . . . . 15.0 115.917 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 10.3 Cg_endo -52.56 -29.97 42.89 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 122.13 1.887 . . . . 15.0 113.325 177.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.49 -40.14 2.63 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.444 -0.884 . . . . 15.0 112.046 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.912 ' HZ3' ' HB2' ' A' ' 33' ' ' GLN . 60.2 m95 -89.89 100.92 13.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.093 0.473 . . . . 15.0 110.569 -178.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.99 137.59 32.21 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.678 -0.692 . . . . 15.0 109.197 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 9.5 mtpm? -90.0 92.27 8.92 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 122.491 1.139 . . . . 15.0 110.829 -178.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -95.15 150.68 19.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 112.579 -2.1 . . . . 15.0 108.442 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.489 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 1.6 mpt? -89.17 140.91 28.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.716 0.77 . . . . 15.0 110.682 -173.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.7 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 7.6 m -89.67 135.81 33.4 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.254 -1.339 . . . . 15.0 109.456 -174.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.562 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 41.0 ttt-85 -69.4 -70.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.934 1.396 . . . . 15.0 113.08 -163.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -71.51 -41.02 69.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.77 0.655 . . . . 15.0 112.77 -171.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 t -90.12 -11.62 40.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.57 0.581 . . . . 15.0 112.57 -172.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.74 60.3 7.95 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.271 -0.966 . . . . 15.0 111.607 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' H ' ' HB2' ' A' ' 16' ' ' SER . 16.3 mmm180 -124.22 150.47 45.22 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.928 -0.136 . . . . 15.0 110.994 -171.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' HB ' ' HZ3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -89.81 90.5 3.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 O-C-N 121.486 -0.759 . . . . 15.0 110.86 173.019 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 8.7 p90 -95.63 150.23 20.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 15.0 110.733 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.601 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 69.4 m-85 -89.73 107.4 19.07 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.817 -0.629 . . . . 15.0 110.007 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.502 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 63.6 t80 -99.86 120.15 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.858 0.361 . . . . 15.0 110.51 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.59 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.4 t30 -121.17 120.25 34.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.421 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 1.8 p80 -94.59 -2.04 52.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.59 HG12 ' OD1' ' A' ' 26' ' ' ASN . 16.5 pt -74.41 -39.32 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.202 -0.999 . . . . 15.0 108.416 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 28' ' ' ILE . 57.2 p -90.37 -19.91 23.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.423 -0.808 . . . . 15.0 110.662 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t30 70.17 16.33 7.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.814 0.816 . . . . 15.0 109.875 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.05 144.3 30.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.513 -0.767 . . . . 15.0 111.032 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 p -115.55 108.33 16.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.779 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.912 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 1.7 mp0 -111.21 100.34 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -172.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.7 ' CZ2' ' HB3' ' A' ' 16' ' ' SER . 7.0 m0 -69.77 -36.77 76.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.957 -1.497 . . . . 15.0 106.957 165.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 13.6 pt-20 -73.35 142.98 47.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 112.253 -2.249 . . . . 15.0 108.143 175.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -69.87 133.3 88.3 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.887 -0.508 . . . . 15.0 112.024 -168.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 52.7 Cg_exo -54.52 -30.24 63.77 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.859 3.039 . . . . 15.0 113.806 -175.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p -146.72 8.96 1.01 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.098 0.475 . . . . 15.0 110.612 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.343 -1.254 . . . . 15.0 111.794 -174.325 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 208' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 109.784 -0.45 . . . . 15.0 109.784 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 3.5 pt -83.74 89.58 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 120.346 -0.542 . . . . 15.0 110.511 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.562 ' O3P' ' HD3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.54 ' HD3' ' HA ' ' B' ' 210' ' ' SEP . 6.3 Cg_exo -81.36 124.34 4.72 Favored 'Trans proline' 0 C--N 1.306 -1.663 1 C-N-CA 127.05 5.167 . . . . 15.0 114.077 178.255 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.586 ' O ' HD12 ' B' ' 213' ' ' LEU . 59.8 Cg_endo -73.82 99.4 1.16 Allowed 'Trans proline' 0 C--N 1.301 -1.954 0 C-N-CA 123.876 3.05 . . . . 15.0 111.507 165.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.586 HD12 ' O ' ' B' ' 212' ' ' PRO . 4.2 mp -129.48 148.51 69.6 Favored Pre-proline 0 N--CA 1.473 0.684 0 N-CA-C 108.752 -0.833 . . . . 15.0 108.752 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.01 -9.75 23.88 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.977 2.451 . . . . 15.0 113.317 -175.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--O 1.254 1.34 0 CA-C-O 118.286 -0.864 . . . . 15.0 110.919 -176.71 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.461 HD12 ' HD2' ' A' ' 8' ' ' PRO . 48.0 tp . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.253 -0.277 . . . . 15.0 110.253 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.635 ' HB2' ' HD1' ' A' ' 11' ' ' TRP . 49.4 Cg_exo -56.56 132.5 52.17 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.043 2.496 . . . . 15.0 112.563 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 50.6 Cg_exo -54.12 -29.63 56.71 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.602 2.868 . . . . 15.0 113.385 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.63 -11.98 63.43 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.021 -0.609 . . . . 15.0 113.595 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.635 ' HD1' ' HB2' ' A' ' 8' ' ' PRO . 75.2 m95 -91.3 112.64 24.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.168 0.509 . . . . 15.0 110.467 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -98.72 147.15 25.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.811 -176.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.731 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 13.1 mmmm -89.95 99.3 12.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.855 -0.611 . . . . 15.0 110.095 175.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.554 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 40.1 ttm180 -113.42 150.19 33.1 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.383 -0.826 . . . . 15.0 109.194 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.6 ttm -89.68 137.33 32.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.291 0.567 . . . . 15.0 110.361 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 3.0 m -89.66 139.29 30.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.427 -0.806 . . . . 15.0 109.301 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.42 ' HD3' ' O2P' ' B' ' 210' ' ' SEP . 48.6 ttt180 -69.82 -68.56 0.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.481 -1.236 . . . . 15.0 112.963 -165.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.427 0.528 . . . . 15.0 112.427 -167.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 t -90.09 -19.79 23.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.883 0.327 . . . . 15.0 111.883 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.71 45.26 94.88 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.586 -0.816 . . . . 15.0 111.991 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -142.42 150.5 40.7 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 109.184 -0.673 . . . . 15.0 109.184 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.28 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 118.95 0.796 . . . . 15.0 111.558 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 12.1 p90 -129.83 150.65 51.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.522 -1.217 . . . . 15.0 108.604 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.731 ' CE2' ' HD3' ' A' ' 13' ' ' LYS . 71.9 m-85 -89.59 114.6 26.2 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.647 -0.501 . . . . 15.0 109.647 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.731 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 38.6 t80 -103.19 127.79 50.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.022 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.692 HD21 HG12 ' A' ' 28' ' ' ILE . 20.7 t-20 -124.77 128.0 48.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.165 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.731 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 8.9 p80 -106.75 10.22 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.999 -0.68 . . . . 15.0 112.666 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.692 HG12 HD21 ' A' ' 26' ' ' ASN . 23.9 pt -80.56 -41.51 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 119.342 -0.943 . . . . 15.0 108.843 171.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.592 HG22 ' OD1' ' A' ' 26' ' ' ASN . 13.4 t -90.51 -16.56 28.65 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.51 -0.313 . . . . 15.0 110.424 166.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.596 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 13.6 t-20 58.5 60.16 2.68 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.911 0.862 . . . . 15.0 109.969 -176.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.9 150.05 45.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.789 -1.096 . . . . 15.0 109.527 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -115.79 123.23 47.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.362 -0.381 . . . . 15.0 110.591 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.465 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 29.2 mt-30 -120.22 108.64 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 15.0 112.238 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.695 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 17.0 m95 -69.8 -46.16 66.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 122.208 1.004 . . . . 15.0 108.378 168.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.965 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 0.9 OUTLIER -70.69 144.3 51.07 Favored 'General case' 0 N--CA 1.435 -1.2 0 CA-C-N 113.51 -1.677 . . . . 15.0 107.739 176.056 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -69.87 121.19 81.94 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 113.191 0.811 . . . . 15.0 113.191 -166.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.88 -30.05 83.38 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.415 2.743 . . . . 15.0 111.064 171.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 p -104.67 103.65 13.33 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.025 -0.989 . . . . 15.0 109.752 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.804 -0.998 . . . . 15.0 111.308 -174.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.9 -0.407 . . . . 15.0 109.9 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 7.4 mt -111.44 89.72 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 108.363 -0.977 . . . . 15.0 108.363 166.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.482 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.695 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 11.7 Cg_exo -74.89 138.7 23.68 Favored 'Trans proline' 0 C--N 1.304 -1.811 1 C-N-CA 126.508 4.805 . . . . 15.0 114.728 -175.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.504 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 52.2 Cg_endo -71.0 133.67 23.77 Favored 'Trans proline' 0 C--N 1.302 -1.876 0 C-N-CA 124.278 3.319 . . . . 15.0 109.812 158.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.758 ' H ' HD12 ' B' ' 213' ' ' LEU . 1.9 mp -70.32 143.75 91.18 Favored Pre-proline 0 CA--C 1.508 -0.659 0 CA-C-O 121.568 0.699 . . . . 15.0 109.388 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.965 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 50.5 Cg_exo -52.42 -9.78 0.66 Allowed 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 124.848 3.699 . . . . 15.0 114.231 -174.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.48 -0.772 . . . . 15.0 109.449 174.892 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.719 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 2.4 pp . . . . . 0 CA--C 1.555 1.137 0 N-CA-C 115.316 1.598 . . . . 15.0 115.316 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.719 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 1.4 Cg_endo -46.77 -39.71 24.12 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.207 1.938 . . . . 15.0 115.809 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 6.8 Cg_endo -50.32 -29.97 25.09 Favored 'Trans proline' 0 C--N 1.361 1.237 0 C-N-CA 122.475 2.117 . . . . 15.0 113.277 176.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -104.57 -43.59 1.68 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.761 -0.733 . . . . 15.0 111.77 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.924 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 68.6 m95 -94.15 110.15 21.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.87 0.367 . . . . 15.0 110.392 -178.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 89.7 mt-10 -89.97 146.13 24.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.84 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.786 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 36.1 mmtt -89.67 90.49 8.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.0 -0.741 . . . . 15.0 109.0 170.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -104.03 150.31 24.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.67 -1.15 . . . . 15.0 109.091 -175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.2 mtp -89.59 130.57 35.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.335 0.588 . . . . 15.0 110.506 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.1 p -89.95 142.87 27.29 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.129 -0.941 . . . . 15.0 108.856 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.615 ' HD3' ' O1P' ' B' ' 210' ' ' SEP . 17.1 ttt180 -69.37 -69.94 0.31 Allowed 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.903 1.377 . . . . 15.0 112.608 -163.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 p -70.01 -25.9 63.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.357 0.503 . . . . 15.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 t -90.11 -25.25 20.83 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.726 -0.39 . . . . 15.0 111.636 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.48 42.24 99.72 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.028 -0.606 . . . . 15.0 111.835 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -135.25 150.27 50.03 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.899 -0.177 . . . . 15.0 111.159 -170.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.786 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.7 m -89.54 107.32 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.268 1.032 . . . . 15.0 112.253 -173.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -100.05 150.81 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 15.0 109.226 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.924 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 11.6 m-85 -89.03 106.94 18.76 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.291 0.567 . . . . 15.0 110.326 -176.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.752 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 26.2 t80 -96.91 119.23 34.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.411 175.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.678 ' OD1' HG12 ' A' ' 28' ' ' ILE . 31.8 t30 -112.92 117.19 31.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.649 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.752 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 1.3 p80 -96.45 4.31 52.22 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.211 0.819 . . . . 15.0 113.211 -176.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.678 HG12 ' OD1' ' A' ' 26' ' ' ASN . 36.8 pt -77.81 -42.43 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 118.914 -1.114 . . . . 15.0 109.034 171.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.405 ' N ' HG13 ' A' ' 28' ' ' ILE . 14.6 t -90.4 -18.74 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.2 -0.454 . . . . 15.0 110.378 172.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 t30 65.93 60.26 0.68 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.956 0.884 . . . . 15.0 110.087 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.97 147.67 39.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.25 -0.886 . . . . 15.0 110.252 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -112.0 107.79 16.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.342 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.668 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 15.9 mm100 -113.6 114.43 26.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.405 0.622 . . . . 15.0 112.18 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.645 ' NE1' ' HB2' ' B' ' 211' ' ' PRO . 14.7 m95 -75.25 -23.96 57.56 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.271 1.034 . . . . 15.0 109.155 169.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.927 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 1.5 pp20? -92.04 140.67 29.42 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 113.509 -1.678 . . . . 15.0 108.292 -175.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.607 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -70.07 134.65 87.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 15.0 111.674 -168.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -68.74 -30.02 28.25 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.063 2.508 . . . . 15.0 111.512 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -129.19 117.37 20.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.452 -0.795 . . . . 15.0 109.378 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.631 -1.094 . . . . 15.0 111.892 -177.714 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 208' ' ' ARG . 67.4 mtt85 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.572 0.225 . . . . 15.0 110.569 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 4.4 mp -140.15 100.92 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.547 -0.538 . . . . 15.0 109.547 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.615 ' O1P' ' HD3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.645 ' HB2' ' NE1' ' A' ' 34' ' ' TRP . 16.5 Cg_exo -75.34 137.66 21.26 Favored 'Trans proline' 0 C--N 1.308 -1.603 1 C-N-CA 126.76 4.973 . . . . 15.0 115.073 -178.38 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.481 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 54.5 Cg_endo -70.69 139.25 36.58 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 124.782 3.655 . . . . 15.0 110.654 160.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.619 HD12 ' N ' ' B' ' 213' ' ' LEU . 0.9 OUTLIER -86.26 142.45 35.71 Favored Pre-proline 0 CA--C 1.507 -0.706 0 CA-C-O 121.915 0.864 . . . . 15.0 109.705 177.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.927 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 46.0 Cg_exo -56.92 -9.84 4.81 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 125.021 3.814 . . . . 15.0 113.762 -177.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . 0.411 ' HE1' ' HB3' ' A' ' 35' ' ' GLU . 83.6 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.812 -0.613 . . . . 15.0 110.261 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 7' ' ' LEU . 3.4 mm? . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.1 -0.333 . . . . 15.0 110.1 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.12 148.98 66.03 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.06 2.507 . . . . 15.0 112.72 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -46.49 -29.63 7.54 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.887 3.058 . . . . 15.0 112.908 175.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -58.58 -9.89 7.24 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.685 -0.689 . . . . 15.0 114.032 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.804 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 70.3 m95 -89.84 108.21 19.57 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 117.645 0.723 . . . . 15.0 109.601 174.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.56 150.59 26.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.225 -0.898 . . . . 15.0 111.113 -172.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.968 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 17.4 mmtp -89.37 102.68 15.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.542 0.687 . . . . 15.0 109.303 172.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -113.81 150.6 33.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.406 -1.27 . . . . 15.0 109.215 -175.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 ttm -89.33 130.76 35.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.588 0.709 . . . . 15.0 110.957 -170.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.551 ' HB2' ' H ' ' A' ' 21' ' ' ARG . 8.6 m -89.84 129.62 36.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.758 -1.11 . . . . 15.0 109.404 -178.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -69.76 -44.09 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.589 1.181 . . . . 15.0 112.944 -167.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 p -70.05 -70.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.249 0.463 . . . . 15.0 112.249 -172.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m -86.24 -9.68 56.05 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.215 0.45 . . . . 15.0 112.215 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 60.01 4.71 Favored Glycine 0 C--O 1.226 -0.366 0 C-N-CA 120.489 -0.862 . . . . 15.0 111.168 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.551 ' H ' ' HB2' ' A' ' 16' ' ' SER . 5.5 mmp_? -120.59 150.18 41.29 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.673 -0.264 . . . . 15.0 111.428 -170.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.968 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 2.5 m -89.6 93.52 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.517 0.675 . . . . 15.0 110.337 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 13.8 p90 -96.0 150.55 20.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.32 -0.854 . . . . 15.0 109.698 -177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.804 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 1.7 m-85 -89.42 107.21 18.94 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.597 0.713 . . . . 15.0 109.87 -177.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.676 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 48.7 t80 -99.49 122.34 42.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.854 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.548 HD21 HG12 ' A' ' 28' ' ' ILE . 17.8 t-20 -114.58 123.9 50.52 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.676 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 6.8 p80 -105.42 15.52 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.967 0.729 . . . . 15.0 112.967 -178.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.548 HG12 HD21 ' A' ' 26' ' ' ASN . 22.3 pt -85.44 -45.61 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.274 -1.009 . . . . 15.0 108.274 169.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.537 ' N ' HG13 ' A' ' 28' ' ' ILE . 62.1 p -90.33 -18.28 25.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.474 171.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.3 t30 75.73 20.12 1.88 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 124.025 0.828 . . . . 15.0 109.758 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.96 134.81 34.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 15.0 111.186 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -110.47 115.4 29.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.683 -0.689 . . . . 15.0 109.739 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HG3' ' HH2' ' A' ' 11' ' ' TRP . 27.9 mm-40 -124.49 111.17 15.39 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.806 0.298 . . . . 15.0 111.806 -173.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.685 ' HE1' ' HB2' ' B' ' 211' ' ' PRO . 11.6 m95 -70.77 -30.9 67.52 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.957 0.884 . . . . 15.0 109.236 171.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.588 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 11.1 pt-20 -90.71 148.88 22.3 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 113.994 -1.457 . . . . 15.0 108.262 -178.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -69.92 134.35 87.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 111.631 0.234 . . . . 15.0 111.631 -169.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -50.67 -72.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.568 2.845 . . . . 15.0 111.606 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.5 m 69.98 -26.38 0.16 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.665 0.987 . . . . 15.0 113.665 172.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.914 0 CA-C-O 118.636 -1.091 . . . . 15.0 111.936 179.325 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 121.083 0.468 . . . . 15.0 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 33.0 mt -101.83 122.38 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.511 . . . . 15.0 109.858 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.53 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.685 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 18.0 Cg_exo -72.52 134.88 23.19 Favored 'Trans proline' 0 C--N 1.306 -1.66 1 C-N-CA 126.357 4.705 . . . . 15.0 114.563 -178.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 45.3 Cg_endo -69.77 135.26 29.97 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 124.553 3.502 . . . . 15.0 110.428 161.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.665 ' H ' HD12 ' B' ' 213' ' ' LEU . 1.5 mp -77.9 132.56 67.42 Favored Pre-proline 0 CA--C 1.513 -0.461 0 CA-C-O 121.692 0.758 . . . . 15.0 109.801 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.588 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 27.5 Cg_exo -59.44 -9.59 9.14 Favored 'Trans proline' 0 C--N 1.323 -0.793 0 C-N-CA 124.948 3.765 . . . . 15.0 114.991 -172.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . 0.566 ' HD1' ' H ' ' B' ' 215' ' ' PHE . 4.4 m-85 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.69 -0.671 . . . . 15.0 110.918 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.54 HD12 ' HD2' ' A' ' 8' ' ' PRO . 56.8 tp . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.946 -0.39 . . . . 15.0 109.946 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.54 ' HD2' HD12 ' A' ' 7' ' ' LEU . 53.1 Cg_exo -56.36 134.0 61.55 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.0 2.467 . . . . 15.0 112.323 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.63 -29.71 42.42 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.599 2.866 . . . . 15.0 113.112 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.63 -12.09 32.27 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.999 -0.546 . . . . 15.0 113.391 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.724 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 47.4 m95 -90.44 104.71 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.359 0.599 . . . . 15.0 109.91 173.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -92.29 145.98 24.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.349 -0.841 . . . . 15.0 110.338 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.828 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 1.5 mmpt? -89.96 96.08 10.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.766 0.793 . . . . 15.0 109.694 174.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -106.69 150.53 26.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.356 -1.293 . . . . 15.0 108.866 -174.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 82.6 mtp -89.59 135.31 33.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.991 0.901 . . . . 15.0 111.96 -170.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.625 ' HB3' ' CZ2' ' A' ' 34' ' ' TRP . 6.0 m -89.77 139.49 30.52 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 113.987 -1.46 . . . . 15.0 108.797 -178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -69.8 -69.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 15.0 112.931 -164.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -69.97 -36.49 75.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.084 0.402 . . . . 15.0 112.084 -168.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.0 m -90.29 -17.45 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.558 0.577 . . . . 15.0 112.558 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.72 59.57 9.98 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.578 -0.82 . . . . 15.0 111.797 -174.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -134.21 150.32 51.05 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 122.905 -0.173 . . . . 15.0 111.092 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.828 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -89.46 107.56 18.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.707 0.765 . . . . 15.0 111.744 -176.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' HD2' ' OG ' ' A' ' 16' ' ' SER . 22.9 p90 -103.78 150.76 23.8 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.529 -1.214 . . . . 15.0 109.975 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.724 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 83.1 m-85 -89.21 111.3 22.07 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.791 -0.641 . . . . 15.0 109.706 -176.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.641 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 69.8 t80 -104.17 125.69 50.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.306 -0.861 . . . . 15.0 110.122 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' HG12 ' A' ' 28' ' ' ILE . 4.1 t-20 -124.56 107.14 10.73 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.641 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 3.5 p80 -85.87 -3.92 59.04 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.899 0.703 . . . . 15.0 112.899 -175.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.557 HG12 ' ND2' ' A' ' 26' ' ' ASN . 25.5 pt -69.15 -46.52 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.4 -0.92 . . . . 15.0 109.187 175.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.557 ' N ' HG13 ' A' ' 28' ' ' ILE . 16.7 p -90.16 -12.07 39.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.123 172.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 62.04 60.13 1.56 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.494 -0.775 . . . . 15.0 109.944 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.58 148.86 51.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.504 -0.771 . . . . 15.0 110.459 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.521 ' HB2' ' HG3' ' B' ' 211' ' ' PRO . 23.4 p -125.9 119.15 27.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.053 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -135.86 108.88 7.66 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.694 0.628 . . . . 15.0 112.694 -170.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 1.067 ' HB2' HD13 ' B' ' 213' ' ' LEU . 1.2 m0 -69.94 -28.33 65.48 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 107.081 -1.452 . . . . 15.0 107.081 170.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.563 ' HB3' ' HB2' ' B' ' 213' ' ' LEU . 11.4 pt-20 -77.63 150.48 34.62 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 112.647 -2.069 . . . . 15.0 108.499 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 36' ' ' ARG . 44.4 ttm180 -69.76 126.61 92.62 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.915 0.388 . . . . 15.0 111.894 -166.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HB3' ' CH2' ' A' ' 11' ' ' TRP . 16.4 Cg_endo -61.04 -30.12 88.95 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.491 2.794 . . . . 15.0 112.894 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -154.95 111.87 3.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.191 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.544 -1.142 . . . . 15.0 110.96 177.137 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.599 0.238 . . . . 15.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.07 117.1 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 109.345 -0.613 . . . . 15.0 109.345 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.515 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.701 ' HB2' ' NE1' ' A' ' 34' ' ' TRP . 16.4 Cg_exo -73.72 138.98 27.25 Favored 'Trans proline' 0 C--N 1.312 -1.374 1 C-N-CA 127.133 5.222 . . . . 15.0 115.3 -176.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.5 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 56.3 Cg_endo -70.99 132.15 20.84 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 125.223 3.949 . . . . 15.0 114.097 164.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 1.067 HD13 ' HB2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -147.74 161.23 36.02 Favored Pre-proline 0 N--CA 1.472 0.638 0 N-CA-C 108.38 -0.97 . . . . 15.0 108.38 164.487 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' B' ' 213' ' ' LEU . 35.4 Cg_endo -67.98 -18.53 46.39 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 123.812 3.008 . . . . 15.0 115.37 -175.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . 0.79 ' H ' ' HG ' ' B' ' 213' ' ' LEU . 35.3 p90 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.263 -0.875 . . . . 15.0 111.668 -178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.4 tp . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.092 -0.336 . . . . 15.0 110.092 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.15 138.95 88.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 123.094 2.53 . . . . 15.0 112.798 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.82 -29.52 63.34 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.786 2.991 . . . . 15.0 113.015 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -57.56 -9.99 5.5 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 115.797 -0.638 . . . . 15.0 114.29 -178.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.699 ' HE3' ' HB3' ' A' ' 24' ' ' TYR . 78.9 m95 -89.65 105.11 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 15.0 110.215 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.06 144.17 26.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.06 -0.973 . . . . 15.0 109.858 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -89.93 104.77 17.31 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.441 -0.578 . . . . 15.0 109.441 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.902 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -123.16 149.93 43.96 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.187 -174.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -89.53 128.08 35.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.132 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.659 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 54.9 p -89.93 132.85 35.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.65 -0.704 . . . . 15.0 110.494 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 17' ' ' ARG . 13.9 ttp85 -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.224 -1.353 . . . . 15.0 112.871 -167.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.667 ' HB2' ' HH2' ' A' ' 34' ' ' TRP . 4.3 m -70.27 -69.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.735 0.302 . . . . 15.0 111.497 -174.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -89.32 -10.09 48.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.966 0.358 . . . . 15.0 111.966 -172.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.47 53.62 16.27 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.253 -1.139 . . . . 15.0 110.253 -172.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -126.86 150.41 49.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.06 -0.57 . . . . 15.0 110.143 -168.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 m -89.14 110.25 21.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.851 0.834 . . . . 15.0 109.77 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.861 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 6.5 p90 -113.58 150.27 33.29 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.402 -1.272 . . . . 15.0 109.561 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.699 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 61.2 m-85 -89.64 114.99 26.69 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.074 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' HE2' ' HD2' ' A' ' 27' ' ' HIS . 33.9 t80 -100.89 111.71 23.98 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.118 -0.364 . . . . 15.0 110.399 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.685 ' OD1' HG12 ' A' ' 28' ' ' ILE . 30.4 t30 -108.46 121.12 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.783 0.325 . . . . 15.0 110.703 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 30' ' ' ASN . 3.2 p80 -97.82 -4.17 37.35 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.04 0.755 . . . . 15.0 113.04 -175.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.685 HG12 ' OD1' ' A' ' 26' ' ' ASN . 40.6 pt -70.71 -42.27 77.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.237 -0.985 . . . . 15.0 109.201 175.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 31' ' ' ALA . 9.9 t -90.3 -15.26 31.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.277 -0.42 . . . . 15.0 109.943 168.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.66 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 2.7 t30 67.61 18.37 9.92 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.626 0.77 . . . . 15.0 110.417 -178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.731 ' H ' HG23 ' A' ' 29' ' ' THR . . . -100.6 125.26 46.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.478 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 p -89.88 126.18 35.62 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.3 mm-40 -128.49 110.12 12.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.631 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.899 ' HB2' HD13 ' B' ' 213' ' ' LEU . 9.6 m0 -75.04 -22.49 58.38 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.638 -1.245 . . . . 15.0 107.638 172.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -90.14 158.01 17.47 Favored 'General case' 0 N--CA 1.423 -1.791 0 CA-C-N 112.615 -2.084 . . . . 15.0 108.731 -174.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 79.1 mtt180 -69.69 130.99 89.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 122.363 -0.211 . . . . 15.0 111.568 -168.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HB3' ' CZ2' ' A' ' 11' ' ' TRP . 21.6 Cg_exo -63.37 -36.02 58.24 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.841 2.36 . . . . 15.0 113.12 -176.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -121.49 123.83 42.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.405 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.545 -1.141 . . . . 15.0 111.258 176.843 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.702 0.287 . . . . 15.0 110.793 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 23.2 mt -83.69 128.29 38.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.859 -0.423 . . . . 15.0 109.859 177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.522 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.675 ' HB2' ' NE1' ' A' ' 34' ' ' TRP . 16.8 Cg_exo -74.45 136.9 22.28 Favored 'Trans proline' 0 C--N 1.314 -1.257 1 C-N-CA 127.083 5.189 . . . . 15.0 115.445 -177.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.538 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 72.1 Cg_endo -75.61 124.09 8.0 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 125.17 3.913 . . . . 15.0 113.779 162.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.899 HD13 ' HB2' ' A' ' 34' ' ' TRP . 1.4 pt? -119.99 171.5 5.56 Favored Pre-proline 0 N--CA 1.476 0.863 0 N-CA-C 107.853 -1.166 . . . . 15.0 107.853 162.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.798 ' HD2' ' HB2' ' B' ' 213' ' ' LEU . 21.9 Cg_endo -61.98 -9.79 15.6 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 124.49 3.46 . . . . 15.0 115.259 -176.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . 0.768 ' H ' ' HG ' ' B' ' 213' ' ' LEU . 14.1 p90 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.097 -0.954 . . . . 15.0 111.543 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.731 ' HB2' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 115.863 1.801 . . . . 15.0 115.863 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.688 ' HD2' ' N ' ' A' ' 7' ' ' LEU . 5.4 Cg_endo -48.48 -37.88 34.25 Favored 'Trans proline' 0 C--N 1.373 1.866 0 CA-C-N 122.149 1.803 . . . . 15.0 115.903 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 9.5 Cg_endo -52.8 -29.82 44.33 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 122.234 1.956 . . . . 15.0 113.392 177.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -108.69 -42.03 1.39 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.539 -0.839 . . . . 15.0 112.185 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.731 ' CD1' ' HB2' ' A' ' 7' ' ' LEU . 45.8 m95 -90.63 110.83 21.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.061 0.458 . . . . 15.0 110.386 -177.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -89.77 142.65 27.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 15.0 110.326 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.86 97.71 11.35 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.61 -0.515 . . . . 15.0 109.61 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.522 ' HD2' ' OH ' ' A' ' 23' ' ' TYR . 44.2 ttm180 -116.85 150.23 38.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.642 -175.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.8 ttt -89.7 128.44 36.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 15.0 110.164 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.488 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 24.0 p -89.83 147.55 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.424 -0.807 . . . . 15.0 109.543 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.672 ' HB3' ' O3P' ' B' ' 210' ' ' SEP . 74.4 ttt180 -69.84 -70.44 0.29 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.21 -1.359 . . . . 15.0 113.581 -159.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.2 m -69.81 -37.77 76.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.482 0.549 . . . . 15.0 112.482 -171.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.71 -13.3 37.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.439 0.533 . . . . 15.0 112.439 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.65 51.24 59.14 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.603 -0.808 . . . . 15.0 111.758 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.587 ' HD2' ' HZ3' ' A' ' 34' ' ' TRP . 84.6 mtt180 -125.73 150.13 47.96 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 120.466 0.174 . . . . 15.0 111.23 -171.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 m -89.43 101.5 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.917 0.865 . . . . 15.0 110.877 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 34' ' ' TRP . 19.1 p90 -104.58 150.29 24.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.886 -1.052 . . . . 15.0 109.701 -177.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.552 ' CB ' ' HE3' ' A' ' 11' ' ' TRP . 38.2 m-85 -89.89 104.9 17.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.165 -0.471 . . . . 15.0 110.103 -177.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.536 ' CE2' ' HD2' ' A' ' 27' ' ' HIS . 16.4 t80 -89.96 108.92 20.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 177.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.673 ' OD1' HG12 ' A' ' 28' ' ' ILE . 32.7 t30 -102.35 116.35 32.45 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.083 -0.385 . . . . 15.0 110.643 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.536 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 1.9 p80 -93.98 -5.5 47.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.213 0.82 . . . . 15.0 113.213 -174.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.673 HG12 ' OD1' ' A' ' 26' ' ' ASN . 29.9 pt -73.02 -38.43 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 119.038 -1.065 . . . . 15.0 108.806 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -90.27 -18.45 25.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.053 171.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 71.5 10.72 6.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.585 0.754 . . . . 15.0 109.935 -176.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.05 130.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 15.0 110.753 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.6 m -95.99 105.69 17.76 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.134 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 14.6 mm100 -108.8 149.68 28.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.046 0.451 . . . . 15.0 111.175 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.651 ' NE1' ' HB2' ' B' ' 211' ' ' PRO . 13.3 m95 -106.68 -31.98 8.21 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 122.008 0.909 . . . . 15.0 109.429 176.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' CD ' ' HG2' ' B' ' 214' ' ' PRO . 6.8 pm0 -87.68 147.5 25.21 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 113.466 -1.697 . . . . 15.0 108.682 -171.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -69.84 134.22 88.05 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 116.294 -0.412 . . . . 15.0 112.094 -167.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -73.02 -83.27 0.0 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.967 2.445 . . . . 15.0 110.556 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.3 t -142.32 94.95 2.72 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.562 -0.903 . . . . 15.0 108.562 171.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.083 0 CA-C-O 118.519 -1.156 . . . . 15.0 111.793 -177.259 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' B' ' 208' ' ' ARG . 2.2 mpt_? . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.773 0.321 . . . . 15.0 110.257 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 4.1 mp -105.67 108.46 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.163 -0.471 . . . . 15.0 109.81 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.672 ' O3P' ' HB3' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.651 ' HB2' ' NE1' ' A' ' 34' ' ' TRP . 16.8 Cg_exo -74.74 139.16 24.68 Favored 'Trans proline' 0 C--N 1.31 -1.483 1 C-N-CA 126.875 5.05 . . . . 15.0 115.224 -178.782 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.494 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 53.2 Cg_endo -71.3 132.78 21.48 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 124.886 3.724 . . . . 15.0 111.152 160.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.666 ' H ' HD12 ' B' ' 213' ' ' LEU . 1.1 mp -79.33 138.6 55.7 Favored Pre-proline 0 CA--C 1.507 -0.709 0 CA-C-O 121.827 0.822 . . . . 15.0 109.634 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' B' ' 213' ' ' LEU . 32.1 Cg_exo -58.94 -9.81 8.55 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 124.684 3.59 . . . . 15.0 113.962 -175.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . 0.489 ' HE1' ' HB3' ' A' ' 35' ' ' GLU . 14.9 p90 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 118.231 -0.89 . . . . 15.0 110.094 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HB2' ' CD ' ' A' ' 8' ' ' PRO . 89.3 mt . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 119.254 -0.403 . . . . 15.0 111.66 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.506 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 3.3 Cg_endo -42.17 -46.22 7.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 123.838 3.025 . . . . 15.0 116.075 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 8' ' ' PRO . 11.9 Cg_endo -54.17 -31.02 63.79 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.259 1.973 . . . . 15.0 113.577 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 26' ' ' ASN . . . -110.12 -41.86 1.24 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.618 -0.801 . . . . 15.0 112.707 -178.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.606 ' CD2' ' HB2' ' A' ' 26' ' ' ASN . 65.6 m95 -90.03 104.09 16.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.059 0.457 . . . . 15.0 111.002 -174.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.34 141.83 28.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.711 -0.677 . . . . 15.0 109.496 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.56 ' HE2' ' HB ' ' A' ' 22' ' ' VAL . 13.7 mtpt -89.88 100.83 13.57 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 122.338 1.066 . . . . 15.0 109.921 174.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.676 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 3.0 tpm_? -110.05 150.51 28.45 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.286 -1.779 . . . . 15.0 108.827 -173.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.37 121.57 31.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.394 0.616 . . . . 15.0 110.192 -173.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.64 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 29.5 p -90.01 137.56 32.24 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.675 -176.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' HD3' ' O3P' ' B' ' 210' ' ' SEP . 53.1 ttt180 -70.0 -26.23 63.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.632 -1.167 . . . . 15.0 113.429 -169.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.725 ' HB3' ' HH2' ' A' ' 34' ' ' TRP . 48.1 t -70.31 -70.13 0.31 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.391 -172.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -10.26 44.75 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.659 0.244 . . . . 15.0 111.659 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.53 55.77 8.27 Favored Glycine 0 N--CA 1.452 -0.245 0 N-CA-C 110.503 -1.039 . . . . 15.0 110.503 -172.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -132.85 150.63 52.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.407 -0.396 . . . . 15.0 110.574 -170.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.56 ' HB ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -89.37 97.23 6.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 122.219 1.009 . . . . 15.0 110.232 -178.294 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.64 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 17.9 p90 -89.95 150.78 22.01 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 113.487 -1.688 . . . . 15.0 108.782 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 94.9 m-85 -88.96 103.35 15.96 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.175 -1.046 . . . . 15.0 108.175 -175.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.634 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 39.5 t80 -96.57 118.34 32.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.359 -178.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.699 ' OD1' HG12 ' A' ' 28' ' ' ILE . 34.5 t30 -114.65 113.63 24.6 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.556 0.217 . . . . 15.0 110.889 -177.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.598 ' HD2' ' HE2' ' A' ' 25' ' ' PHE . 2.5 p80 -92.7 2.9 56.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.749 0.648 . . . . 15.0 112.749 -175.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.699 HG12 ' OD1' ' A' ' 26' ' ' ASN . 31.7 pt -74.95 -43.62 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 118.883 -1.127 . . . . 15.0 108.856 172.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 31' ' ' ALA . 9.6 t -90.53 -13.78 33.93 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.447 170.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 27' ' ' HIS . 4.8 t30 68.39 18.28 9.08 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.618 0.767 . . . . 15.0 110.73 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.685 ' H ' HG23 ' A' ' 29' ' ' THR . . . -98.61 148.39 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.91 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 p -116.17 118.23 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.877 -0.602 . . . . 15.0 110.78 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.592 ' HB2' ' HZ3' ' A' ' 11' ' ' TRP . 9.3 mm100 -117.59 110.4 17.87 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.749 0.277 . . . . 15.0 111.749 -175.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.725 ' HH2' ' HB3' ' A' ' 18' ' ' SER . 18.6 m95 -69.93 -38.47 76.23 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 122.074 0.94 . . . . 15.0 108.855 171.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.591 ' HG2' ' HG2' ' B' ' 214' ' ' PRO . 5.2 pt-20 -88.16 157.42 18.83 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 113.749 -1.568 . . . . 15.0 108.119 -177.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 47.7 mtp180 -69.68 135.77 88.06 Favored Pre-proline 0 N--CA 1.466 0.331 0 N-CA-C 112.8 0.667 . . . . 15.0 112.8 -163.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 22.7 Cg_exo -62.36 -29.96 80.14 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.298 2.666 . . . . 15.0 113.155 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 p -107.68 5.56 26.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.056 -0.52 . . . . 15.0 111.798 -175.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.917 -0.935 . . . . 15.0 112.073 -178.476 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 108.473 -0.936 . . . . 15.0 108.473 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.33 89.48 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 108.301 -1.0 . . . . 15.0 108.301 166.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' SEP . . . . . 0.521 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.723 ' HB2' ' HE1' ' A' ' 34' ' ' TRP . 9.9 Cg_exo -77.77 141.81 19.68 Favored 'Trans proline' 0 C--N 1.302 -1.909 1 C-N-CA 126.684 4.922 . . . . 15.0 114.458 -176.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' PRO . . . . . 0.483 ' HD2' ' HA ' ' B' ' 211' ' ' PRO . 56.1 Cg_endo -71.55 138.47 32.4 Favored 'Trans proline' 0 C--N 1.302 -1.892 0 C-N-CA 124.51 3.473 . . . . 15.0 109.829 157.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' LEU . . . . . 0.707 ' H ' HD12 ' B' ' 213' ' ' LEU . 1.8 mp -74.64 138.56 73.93 Favored Pre-proline 0 CA--C 1.51 -0.582 0 CA-C-O 121.643 0.735 . . . . 15.0 109.217 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' PRO . . . . . 0.591 ' HG2' ' HG2' ' A' ' 35' ' ' GLU . 31.4 Cg_exo -55.44 -9.87 2.89 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 125.174 3.916 . . . . 15.0 114.405 -172.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 35' ' ' GLU . 44.2 m-85 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.727 -0.654 . . . . 15.0 110.42 177.243 . . . . . . . . 1 1 . 1 stop_ save_