data_5gat_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 5gat _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 ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m -127.92 131.32 49.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.25 -0.906 . . . . 0.0 110.263 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 12.0 t -80.26 113.47 18.46 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -66.59 -11.55 53.84 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.333 -0.855 . . . . 0.0 111.021 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -96.83 -39.58 9.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.971 -1.081 . . . . 0.0 110.111 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.6 p -132.23 0.02 3.72 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.877 -1.14 . . . . 0.0 111.565 -177.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 60.02 6.15 0.89 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.94 -1.1 . . . . 0.0 112.212 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.495 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 9.5 t -66.11 133.36 50.57 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.22 -1.55 . . . . 0.0 109.69 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -102.6 -4.91 24.5 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.7 m -103.01 113.62 27.25 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.614 ' CB ' HD21 ' A' ' 34' ' ' ASN . 1.8 t -163.73 146.42 7.78 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.824 . . . . 0.0 109.412 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -79.31 -18.84 10.79 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.413 2.076 . . . . 0.0 111.843 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 tp -152.94 125.14 8.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -83.67 127.69 33.96 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.276 0.56 . . . . 0.0 109.87 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -109.27 171.62 7.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.562 -0.712 . . . . 0.0 109.56 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.98 153.99 47.03 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.276 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.3 t-20 -93.61 139.29 22.77 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.293 -0.88 . . . . 0.0 109.105 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.22 -7.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.683 1.588 . . . . 0.0 112.212 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 40.2 mt-10 -97.89 3.35 49.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.18 14.59 68.71 Favored Glycine 0 N--CA 1.495 2.574 0 O-C-N 121.46 -0.775 . . . . 0.0 111.866 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -93.79 137.01 23.32 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.733 -1.451 . . . . 0.0 108.923 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.2 135.53 20.84 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.808 1.672 . . . . 0.0 112.389 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.5 mt -130.91 160.7 33.71 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.4 p -86.9 -138.87 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.511 -1.368 . . . . 0.0 109.247 178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.614 HD21 ' CB ' ' A' ' 20' ' ' THR . 2.0 p30 -82.81 -71.66 0.48 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.744 -1.223 . . . . 0.0 111.645 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.528 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.81 -33.73 76.32 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.6 m -57.03 -55.92 28.4 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.105 -1.622 . . . . 0.0 110.293 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.44 95.06 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.34 -43.98 80.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -1.17 . . . . 0.0 111.308 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 48.3 t80 -78.93 -49.56 12.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 112.073 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.3 -49.4 77.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.98 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -59.93 -41.95 92.88 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.932 -1.105 . . . . 0.0 110.594 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.35 -30.06 66.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 55.9 m80 -92.46 -29.86 16.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.816 -1.177 . . . . 0.0 110.703 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 12.46 38.23 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.96 142.09 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 120.947 -1.325 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 m -62.63 145.19 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.545 -0.722 . . . . 0.0 110.186 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.579 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -145.5 137.18 12.95 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 50' ' ' SER . 56.0 Cg_exo -34.52 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.289 1.993 . . . . 0.0 113.664 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LYS . 95.1 mt -63.92 -3.27 2.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 48' ' ' PRO . 8.2 p -52.56 -12.31 0.27 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 49' ' ' LEU . 88.4 mt -77.74 3.18 14.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' LEU . 26.1 tptp -58.0 128.17 35.75 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.682 0.753 . . . . 0.0 109.629 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.633 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -144.61 142.92 30.5 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.804 0.812 . . . . 0.0 109.711 178.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.459 ' N ' ' HG1' ' A' ' 53' ' ' THR . 94.0 m-20 -92.65 -3.71 54.5 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.633 ' H ' ' HG1' ' A' ' 53' ' ' THR . 57.7 t -108.61 125.15 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.83 . . . . 0.0 109.275 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -72.62 127.68 33.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.942 . . . . 0.0 109.164 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -88.13 134.17 33.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.199 -0.938 . . . . 0.0 109.85 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -98.93 172.1 7.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.281 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.21 -177.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -140.28 150.65 44.31 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.418 -0.801 . . . . 0.0 109.524 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -73.4 108.16 6.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.11 -0.994 . . . . 0.0 109.07 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.4 p -66.49 -9.98 39.94 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.521 -0.737 . . . . 0.0 109.176 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -96.5 -40.02 9.27 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.28 -0.888 . . . . 0.0 110.81 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.1 p -133.7 5.74 3.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.859 -1.151 . . . . 0.0 111.217 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 55.7 3.89 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 112.24 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.483 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -62.48 131.39 49.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.096 -1.628 . . . . 0.0 109.272 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -98.66 -7.85 27.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.441 -0.787 . . . . 0.0 109.46 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -101.59 116.12 32.04 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.995 -1.066 . . . . 0.0 109.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -162.61 144.41 8.08 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 120.973 -1.08 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.3 -18.67 10.91 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.177 1.918 . . . . 0.0 111.832 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 tp -154.31 121.77 5.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.167 -0.958 . . . . 0.0 110.302 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -81.04 126.5 31.5 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -109.33 175.22 5.53 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -141.26 157.73 44.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.274 -0.891 . . . . 0.0 109.591 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.8 t30 -91.21 142.7 27.43 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -45.99 -7.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.093 1.195 . . . . 0.0 111.821 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -100.33 2.82 42.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -0.957 . . . . 0.0 109.977 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.81 20.97 57.06 Favored Glycine 0 N--CA 1.494 2.508 0 O-C-N 121.152 -0.967 . . . . 0.0 111.42 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -96.5 112.24 59.45 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.773 -1.428 . . . . 0.0 108.837 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -49.55 133.65 32.09 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.961 1.774 . . . . 0.0 113.634 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.0 mt -130.66 159.99 35.58 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.5 p -86.16 -137.81 0.08 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.31 -1.494 . . . . 0.0 108.598 178.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 3.5 p30 -83.21 -70.66 0.54 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.623 -1.298 . . . . 0.0 111.77 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -64.86 -32.65 74.45 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -56.81 -52.53 64.7 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.106 -1.621 . . . . 0.0 110.207 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.98 -44.39 61.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.083 -1.056 . . . . 0.0 110.793 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.72 -41.26 88.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.388 . . . . 0.0 110.258 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.657 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -71.72 -51.8 21.0 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.966 -1.084 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.53 -49.48 76.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.108 -0.995 . . . . 0.0 109.212 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.6 -47.81 84.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 109.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.47 -33.92 71.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.325 -0.859 . . . . 0.0 112.128 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.657 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 67.1 m80 -93.76 -31.37 14.43 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.63 -1.294 . . . . 0.0 110.824 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.11 48.29 74.98 Favored Glycine 0 N--CA 1.494 2.546 0 O-C-N 120.823 -1.173 . . . . 0.0 110.945 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' VAL . 15.5 m -140.97 157.31 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.018 -1.284 . . . . 0.0 110.203 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' VAL . 13.0 m -37.4 119.22 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-O 122.652 1.215 . . . . 0.0 110.841 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -41.52 102.52 0.27 Allowed Pre-proline 0 N--CA 1.492 1.638 0 CA-C-N 114.242 -1.345 . . . . 0.0 113.561 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -94.11 83.47 0.15 Allowed 'Trans proline' 0 N--CA 1.488 1.152 0 C-N-CA 122.927 2.418 . . . . 0.0 110.383 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.41 -23.17 67.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.85 . . . . 0.0 110.685 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.8 p -53.28 -29.98 36.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.077 -1.014 . . . . 0.0 111.132 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.45 -21.36 53.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.663 -1.273 . . . . 0.0 109.715 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HD2' ' H ' ' A' ' 53' ' ' THR . 20.5 tptp -59.31 156.89 11.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.982 -1.074 . . . . 0.0 109.617 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.413 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -142.0 149.71 40.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.264 -0.897 . . . . 0.0 108.974 178.178 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.5 -5.32 57.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.612 -0.68 . . . . 0.0 109.411 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.07 129.92 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -122.7 135.31 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 CA-C-O 121.595 0.712 . . . . 0.0 109.792 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HZ1' ' CB ' ' A' ' 57' ' ' LYS . 3.3 ttmp? -81.53 132.44 35.31 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -83.26 130.23 35.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.254 -0.904 . . . . 0.0 109.034 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' A' ' 59' ' ' ARG . 22.2 mmm-85 -98.31 172.05 7.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.081 -1.012 . . . . 0.0 109.66 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 p30 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 0.0 111.174 -177.649 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 N--CA 1.494 1.767 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -143.83 145.03 32.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.147 -0.971 . . . . 0.0 109.441 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.7 t -70.35 110.82 5.51 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.028 -1.045 . . . . 0.0 108.389 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.4 p -66.74 -10.08 43.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.562 -0.711 . . . . 0.0 109.463 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -96.47 -41.83 8.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.543 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -129.17 3.57 5.22 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.809 -1.182 . . . . 0.0 111.714 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 61.02 3.52 0.68 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.125 -0.984 . . . . 0.0 112.61 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 t -64.92 132.8 50.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.359 -1.463 . . . . 0.0 109.756 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -98.66 -12.22 21.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.487 -0.758 . . . . 0.0 109.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -99.98 121.95 42.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -0.977 . . . . 0.0 110.305 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.448 ' HG1' ' H ' ' A' ' 22' ' ' LEU . 5.5 t -163.97 144.75 6.82 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 109.942 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.67 -17.48 11.11 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.013 1.809 . . . . 0.0 111.327 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.448 ' H ' ' HG1' ' A' ' 20' ' ' THR . 37.0 tp -152.65 128.85 10.47 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 122.002 0.906 . . . . 0.0 109.801 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -88.22 125.36 34.6 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.488 0.661 . . . . 0.0 109.559 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -107.08 174.31 5.94 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.95 150.95 43.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.124 -0.985 . . . . 0.0 108.995 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.9 t-20 -90.97 140.58 26.12 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 108.798 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -42.96 -9.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.779 1.653 . . . . 0.0 112.457 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.2 mt-10 -96.17 2.53 53.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 108.959 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 7.96 83.35 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -85.24 137.73 36.95 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 120.602 -1.528 . . . . 0.0 107.771 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.07 134.21 15.84 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.073 1.849 . . . . 0.0 112.835 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.8 mt -124.1 160.03 28.67 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.7 p -82.19 -144.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.341 -1.474 . . . . 0.0 108.226 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.76 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.1 p-10 -80.87 -65.71 0.98 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.125 -0.984 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.76 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.96 -39.22 93.64 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.6 m -58.23 -52.27 66.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.729 -1.857 . . . . 0.0 109.619 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.46 -45.0 95.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.7 mt -68.75 -40.66 79.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.102 -1.234 . . . . 0.0 111.338 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.63 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.0 t80 -77.82 -48.07 17.38 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.123 -0.985 . . . . 0.0 111.286 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.18 -48.93 79.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 110.531 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.08 -40.42 89.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.955 -1.091 . . . . 0.0 109.559 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.16 -35.17 73.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.947 . . . . 0.0 111.551 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.63 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 45.5 m80 -92.37 -33.18 14.67 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.562 -1.336 . . . . 0.0 111.212 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.89 10.88 56.93 Favored Glycine 0 N--CA 1.491 2.319 0 O-C-N 120.641 -1.287 . . . . 0.0 111.1 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.66 145.74 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 120.757 -1.437 . . . . 0.0 110.367 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -49.89 153.41 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -0.928 . . . . 0.0 109.023 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -151.77 136.62 10.45 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.132 -0.98 . . . . 0.0 108.971 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -35.48 96.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.116 1.877 . . . . 0.0 113.358 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 51' ' ' LEU . 83.7 mt -59.15 -15.6 15.42 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.7 m -56.7 -5.82 0.26 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.6 -0.687 . . . . 0.0 109.68 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 49' ' ' LEU . 89.5 mt -77.73 -19.54 55.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.138 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 13.9 tmtt? -53.08 150.55 5.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 109.617 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 t -149.63 158.27 44.02 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.578 -0.701 . . . . 0.0 109.424 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 84.6 m-20 -88.08 -6.89 57.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.515 -0.741 . . . . 0.0 110.259 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -112.32 130.69 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.357 -0.839 . . . . 0.0 109.447 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.55 133.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.728 -0.608 . . . . 0.0 110.27 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.1 130.04 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -82.49 130.24 35.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.835 . . . . 0.0 109.901 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -96.37 158.43 15.44 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.866 0.841 . . . . 0.0 109.225 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 121.626 0.727 . . . . 0.0 110.191 -179.112 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.446 0.641 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.0 m -143.86 134.43 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.377 -0.827 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.4 t -64.37 109.22 1.85 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.779 -1.201 . . . . 0.0 108.988 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -67.51 -9.99 47.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.704 -0.623 . . . . 0.0 110.174 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -98.79 -40.01 8.34 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.917 . . . . 0.0 110.937 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.46 4.62 4.7 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.918 -1.114 . . . . 0.0 110.533 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 56.13 5.27 0.16 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 113.039 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 t -62.31 129.76 42.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.017 -1.677 . . . . 0.0 109.265 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -98.38 -4.93 33.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.422 -0.799 . . . . 0.0 110.148 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -111.21 121.31 44.96 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.381 -0.825 . . . . 0.0 109.34 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.04 147.68 6.91 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.913 -1.117 . . . . 0.0 109.921 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.22 -18.3 12.73 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.03 1.82 . . . . 0.0 112.076 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.5 tp -154.07 128.05 8.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.248 -0.908 . . . . 0.0 110.182 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -88.04 127.77 35.4 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.388 0.614 . . . . 0.0 110.016 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.41 176.3 5.13 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 25' ' ' ARG . 10.6 ptt-85 -137.39 151.28 48.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLU . 7.8 t-20 -86.88 141.81 33.77 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.364 -0.835 . . . . 0.0 108.956 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.53 -11.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.314 1.343 . . . . 0.0 111.884 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.2 mt-10 -99.71 6.38 45.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.383 -0.823 . . . . 0.0 109.745 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.47 15.75 70.47 Favored Glycine 0 N--CA 1.492 2.379 0 O-C-N 121.309 -0.87 . . . . 0.0 111.245 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -91.9 114.63 62.63 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 120.654 -1.497 . . . . 0.0 109.297 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.31 132.55 24.09 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.852 1.701 . . . . 0.0 112.814 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.8 mt -127.38 159.84 33.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.3 p -84.19 -140.39 0.07 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.4 -1.437 . . . . 0.0 108.836 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.494 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -82.11 -70.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 112.046 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -33.73 75.97 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 113.613 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.17 -56.59 19.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.162 -1.587 . . . . 0.0 110.258 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.73 -41.98 99.76 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.88 -40.16 83.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.098 -1.236 . . . . 0.0 110.988 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 43.1 t80 -80.73 -46.87 14.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 111.721 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 tp -60.91 -50.04 75.01 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.101 -1.0 . . . . 0.0 110.19 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HZ1' ' CB ' ' A' ' 41' ' ' LYS . 3.1 ttmp? -59.92 -49.08 79.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.014 -1.054 . . . . 0.0 110.271 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.96 -32.49 70.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.234 -0.916 . . . . 0.0 111.375 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 73.8 m80 -93.91 -38.2 11.32 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.644 -1.285 . . . . 0.0 111.415 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.73 60.53 Favored Glycine 0 N--CA 1.492 2.416 0 O-C-N 120.555 -1.34 . . . . 0.0 111.524 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.08 163.97 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.865 -1.373 . . . . 0.0 109.899 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.6 m -51.36 145.41 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.153 -0.967 . . . . 0.0 109.379 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 49' ' ' LEU . 5.4 ttm180 -130.37 112.31 16.74 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.739 -0.6 . . . . 0.0 109.769 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.445 ' C ' ' H ' ' A' ' 50' ' ' SER . 71.2 Cg_exo -47.51 96.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 120.936 1.09 . . . . 0.0 110.011 177.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ARG . 90.0 mt -56.25 -10.48 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.224 -0.923 . . . . 0.0 108.763 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 48' ' ' PRO . 20.6 m -59.93 -10.82 4.47 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.71 -29.01 61.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 13.3 tmtt? -50.89 147.85 4.65 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.882 . . . . 0.0 110.185 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.39 158.35 44.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.426 -0.797 . . . . 0.0 109.679 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.507 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 88.8 m-20 -85.76 -10.46 55.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.95 128.54 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.229 -0.92 . . . . 0.0 109.415 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.5 mt -120.68 134.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -70.79 120.67 16.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.089 -1.007 . . . . 0.0 108.947 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -83.44 134.9 34.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 59' ' ' ARG . 17.8 mmm-85 -102.37 167.54 9.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.35 -178.698 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -139.26 146.96 41.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.328 -0.857 . . . . 0.0 109.442 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.8 t -75.42 111.0 10.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.153 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.6 p -69.0 -10.62 58.43 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.717 -0.614 . . . . 0.0 110.579 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -97.36 -39.25 9.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.025 -1.047 . . . . 0.0 110.678 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.514 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.3 p -129.59 6.14 5.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.928 -1.107 . . . . 0.0 111.173 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 56.39 1.41 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.103 -0.998 . . . . 0.0 112.561 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.514 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -63.65 130.92 46.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.27 -1.519 . . . . 0.0 109.332 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -102.55 -6.32 22.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -102.91 117.93 35.71 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.81 148.75 6.67 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 109.948 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.1 -17.6 13.37 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.037 1.825 . . . . 0.0 112.226 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.1 tp -156.91 122.26 4.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.971 -1.081 . . . . 0.0 110.889 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -79.99 128.1 33.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -108.36 173.33 6.37 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -140.04 149.58 43.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.516 -0.74 . . . . 0.0 109.176 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.5 t30 -87.89 140.95 31.22 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -47.2 -6.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.177 1.251 . . . . 0.0 112.002 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' ASN . 66.8 mm-40 -101.64 -0.36 34.84 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.325 -0.859 . . . . 0.0 109.557 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 23.3 38.58 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.281 -0.887 . . . . 0.0 111.287 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.56 111.67 60.65 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 120.842 -1.387 . . . . 0.0 108.648 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.53 131.28 32.24 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 121.922 1.748 . . . . 0.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -129.78 159.47 36.43 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.14 -140.45 0.06 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.384 -1.448 . . . . 0.0 108.732 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.508 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 21.9 p-10 -81.84 -69.91 0.58 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 111.667 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -65.56 -33.31 75.61 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -55.62 -55.71 28.9 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 119.957 -1.714 . . . . 0.0 109.888 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -41.39 97.33 Favored Glycine 0 N--CA 1.489 2.226 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.781 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.88 -40.01 79.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.874 -1.368 . . . . 0.0 111.007 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 19.7 t80 -80.74 -42.19 22.28 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.012 -1.055 . . . . 0.0 111.004 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.5 -53.31 56.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.193 -0.942 . . . . 0.0 110.406 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.07 -40.8 90.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.907 -1.121 . . . . 0.0 110.578 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.99 -30.63 68.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.077 -1.014 . . . . 0.0 111.092 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CZ ' ' A' ' 39' ' ' PHE . 69.1 m80 -98.38 -21.62 16.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.762 -1.211 . . . . 0.0 110.516 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.06 9.36 40.66 Favored Glycine 0 N--CA 1.491 2.36 0 O-C-N 120.523 -1.36 . . . . 0.0 110.844 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.68 145.2 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.042 -1.269 . . . . 0.0 109.136 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.1 m -56.01 125.22 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' PRO . 19.4 ttp180 -93.85 131.15 32.62 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.415 -0.803 . . . . 0.0 109.208 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ARG . 84.5 Cg_exo -40.38 104.88 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.163 1.242 . . . . 0.0 110.614 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.91 -12.97 3.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.603 -0.686 . . . . 0.0 109.426 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -60.96 -19.6 61.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.423 -0.798 . . . . 0.0 110.15 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.2 mt -77.07 -24.6 51.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.102 -0.999 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -57.35 157.2 6.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.925 . . . . 0.0 108.786 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.07 159.45 43.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.964 -1.085 . . . . 0.0 109.525 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -86.49 -6.88 58.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 109.598 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.09 136.66 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.8 mt -127.94 140.01 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.312 -0.868 . . . . 0.0 109.878 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -81.84 130.03 34.94 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -85.13 134.93 34.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 108.96 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.448 HH11 ' HG2' ' A' ' 59' ' ' ARG . 42.3 mtt-85 -98.05 164.02 12.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.117 -0.99 . . . . 0.0 109.318 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 . . . . . 0 N--CA 1.488 1.475 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 -178.507 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.29 0.566 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.7 m -147.58 145.31 28.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.362 -0.836 . . . . 0.0 109.255 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.8 t -71.58 111.38 6.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.141 -0.974 . . . . 0.0 109.015 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 p -68.36 -9.12 45.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -96.92 -42.35 7.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 11.5 p -129.86 3.02 4.89 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.968 -1.083 . . . . 0.0 111.196 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 58.75 4.86 0.42 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.189 -0.944 . . . . 0.0 112.897 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.457 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -66.22 132.84 49.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.087 -1.633 . . . . 0.0 110.536 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -101.67 -2.36 30.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.569 -0.707 . . . . 0.0 109.963 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -108.98 119.1 38.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.336 -0.853 . . . . 0.0 108.747 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -164.15 144.75 6.64 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -76.34 -18.61 15.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.139 1.893 . . . . 0.0 111.96 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD21 HH21 ' A' ' 24' ' ' ARG . 28.0 tp -154.52 124.72 6.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.184 -0.947 . . . . 0.0 110.306 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -83.98 128.86 34.84 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.58 0.705 . . . . 0.0 110.159 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.404 HH21 HD21 ' A' ' 22' ' ' LEU . 29.3 mmt180 -111.97 178.71 4.22 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -139.26 154.55 47.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 109.497 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 15.6 t30 -93.4 141.46 23.97 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -44.12 -10.6 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.576 1.518 . . . . 0.0 112.385 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.1 mm-40 -92.79 5.75 50.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.011 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.7 5.58 88.03 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -86.33 146.49 42.39 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 120.948 -1.325 . . . . 0.0 108.894 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.03 138.44 18.31 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.299 1.999 . . . . 0.0 113.168 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.9 mt -129.25 159.98 34.39 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.594 ' SG ' ' ND2' ' A' ' 34' ' ' ASN . 30.1 p -85.0 -134.07 0.05 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.447 -1.408 . . . . 0.0 109.123 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.669 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -83.19 -83.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.136 -0.977 . . . . 0.0 112.131 -178.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.669 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -61.24 -27.96 68.82 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 m -56.37 -54.09 49.63 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 119.967 -1.708 . . . . 0.0 110.203 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.36 -44.65 64.17 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.461 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.908 -1.348 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 42.9 t80 -76.09 -46.4 29.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.596 -0.69 . . . . 0.0 111.68 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.08 -50.44 71.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.944 -1.097 . . . . 0.0 110.965 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -59.92 -42.15 93.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.94 -30.36 67.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.046 -1.034 . . . . 0.0 110.622 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -94.13 -36.94 11.84 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.717 -1.239 . . . . 0.0 111.143 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.08 10.19 55.85 Favored Glycine 0 N--CA 1.493 2.435 0 O-C-N 120.571 -1.331 . . . . 0.0 111.507 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.38 146.93 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.897 -1.354 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 m -54.16 144.3 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.305 -0.872 . . . . 0.0 109.386 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' PRO . 2.5 tpm_? -150.03 128.52 6.0 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 50' ' ' SER . 41.8 Cg_exo -34.27 108.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.124 1.883 . . . . 0.0 112.977 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.69 -8.39 2.02 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 48' ' ' PRO . 78.7 p -58.61 -13.94 7.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.442 -0.787 . . . . 0.0 109.497 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.33 -30.61 66.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 108.335 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.553 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 10.1 tmtt? -55.87 155.75 5.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.462 -0.774 . . . . 0.0 109.711 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.06 148.13 36.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.451 -0.781 . . . . 0.0 109.519 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.553 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 75.8 m-20 -87.97 -4.61 58.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.495 -0.753 . . . . 0.0 109.216 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -110.27 125.92 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.98 134.1 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.555 0.693 . . . . 0.0 110.15 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -81.51 131.93 35.3 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -80.51 131.77 35.59 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.16 -0.962 . . . . 0.0 108.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -100.37 167.39 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.827 . . . . 0.0 108.966 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.9 p30 . . . . . 0 C--N 1.3 -1.561 0 O-C-N 121.454 -0.779 . . . . 0.0 110.014 -178.671 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.0 m -141.28 148.76 40.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.722 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.3 t -77.03 112.89 14.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.469 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -10.27 48.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 109.987 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -98.96 -40.15 8.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.346 -0.846 . . . . 0.0 110.511 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.553 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 12.9 p -132.38 10.53 4.46 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.952 -1.093 . . . . 0.0 111.591 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 52.0 -0.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.684 -1.26 . . . . 0.0 112.617 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.527 ' H ' ' C ' ' A' ' 15' ' ' CYS . 6.3 t -60.06 134.96 57.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.156 -1.59 . . . . 0.0 109.788 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -102.89 -11.98 17.86 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.345 -0.847 . . . . 0.0 109.384 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -98.27 119.98 37.89 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.189 -0.945 . . . . 0.0 108.976 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -163.43 146.23 8.02 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.8 -20.76 13.16 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.188 1.925 . . . . 0.0 112.055 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.7 tp -155.41 120.55 4.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 110.13 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.33 129.23 34.53 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -109.93 -179.29 3.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.56 149.86 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.259 -0.901 . . . . 0.0 109.398 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.2 t30 -88.03 141.0 30.98 Favored Pre-proline 0 N--CA 1.489 1.521 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.25 -9.82 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.607 1.538 . . . . 0.0 112.777 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.7 mt-10 -98.05 7.05 46.9 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.056 -1.027 . . . . 0.0 109.726 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.22 10.78 77.2 Favored Glycine 0 N--CA 1.494 2.547 0 O-C-N 121.276 -0.89 . . . . 0.0 111.316 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -90.91 142.16 27.3 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 120.712 -1.463 . . . . 0.0 108.415 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.25 133.8 15.13 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.8 1.666 . . . . 0.0 112.783 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -125.64 159.71 31.51 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.5 -143.76 0.07 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.424 -1.422 . . . . 0.0 107.664 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.552 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 29.8 p-10 -81.19 -68.08 0.72 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.865 -1.147 . . . . 0.0 111.921 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.552 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.12 -37.7 86.1 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.0 m -58.03 -56.73 18.28 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.125 -1.609 . . . . 0.0 110.651 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.92 99.13 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.67 -40.04 88.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.245 . . . . 0.0 110.146 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 57.9 t80 -80.32 -48.3 13.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.561 -0.712 . . . . 0.0 111.611 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.14 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 109.841 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.05 -43.36 95.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.946 -1.096 . . . . 0.0 110.714 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.16 -31.0 68.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.039 -1.038 . . . . 0.0 111.738 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.644 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 55.2 m80 -96.84 -34.31 11.33 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.69 -1.256 . . . . 0.0 111.002 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.65 13.62 46.61 Favored Glycine 0 N--CA 1.49 2.266 0 O-C-N 120.587 -1.32 . . . . 0.0 111.203 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.35 140.79 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.931 -1.335 . . . . 0.0 110.205 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -59.36 140.08 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-O 121.375 0.607 . . . . 0.0 109.684 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.595 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -152.36 138.27 11.62 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 108.576 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.427 ' C ' ' H ' ' A' ' 50' ' ' SER . 44.6 Cg_exo -33.05 108.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.44 2.094 . . . . 0.0 113.904 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' A' ' 51' ' ' LEU . 88.1 mt -61.77 -7.23 3.31 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 48' ' ' PRO . 38.7 m -57.83 -9.99 1.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 0.0 109.016 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.5 mt -70.75 -29.48 65.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.261 -0.9 . . . . 0.0 108.638 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -57.64 154.97 10.56 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.375 -0.828 . . . . 0.0 109.641 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.48 150.25 40.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.254 -0.904 . . . . 0.0 109.26 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -86.94 -7.17 58.43 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.308 -0.87 . . . . 0.0 109.809 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 p -108.38 129.69 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.12 133.56 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.452 -0.78 . . . . 0.0 110.059 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -84.04 131.28 34.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.463 -0.773 . . . . 0.0 109.036 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -82.06 129.89 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 59' ' ' ARG . 22.3 mtt-85 -98.08 169.94 9.26 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.327 -0.858 . . . . 0.0 109.003 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.207 -0.933 . . . . 0.0 110.901 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.26 0.552 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m -143.99 146.97 33.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 0.0 109.731 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -71.42 109.69 5.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.049 -1.032 . . . . 0.0 109.749 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 p -68.66 -7.76 36.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.919 -0.488 . . . . 0.0 109.745 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.491 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.0 OUTLIER -98.07 -40.08 8.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.305 -0.872 . . . . 0.0 110.573 -179.206 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.8 p -132.1 6.09 4.21 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.967 -1.083 . . . . 0.0 110.53 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 57.11 4.96 0.21 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.9 . . . . 0.0 112.567 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.469 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.8 t -64.22 132.4 50.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.137 -1.602 . . . . 0.0 109.601 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.03 -9.95 22.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.474 -0.766 . . . . 0.0 109.364 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -100.34 118.94 37.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.371 -0.831 . . . . 0.0 109.332 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.591 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 5.5 t -165.87 141.21 4.03 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.035 -1.041 . . . . 0.0 110.268 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.79 -17.99 10.66 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.352 2.035 . . . . 0.0 112.811 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD2' HH12 ' A' ' 24' ' ' ARG . 42.5 tp -150.69 126.17 10.15 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.823 -1.173 . . . . 0.0 109.96 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -88.72 123.68 33.39 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.6 0.714 . . . . 0.0 111.223 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.473 HH12 ' CD2' ' A' ' 22' ' ' LEU . 1.7 mmt-85 -107.13 179.63 4.2 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.9 151.9 45.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.24 -0.912 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -88.59 139.57 29.73 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.557 -0.714 . . . . 0.0 109.208 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.53 -13.29 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.938 1.758 . . . . 0.0 112.493 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -94.93 8.29 43.27 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 6.19 88.33 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -86.9 143.59 35.5 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.859 -1.377 . . . . 0.0 108.37 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.1 140.49 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.391 2.06 . . . . 0.0 113.056 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.2 mt -127.1 157.49 39.53 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.3 p -82.4 -156.45 0.17 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.754 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -80.04 -48.21 13.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.625 -1.297 . . . . 0.0 111.942 -179.331 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.754 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -68.97 -42.57 76.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.542 -1.349 . . . . 0.0 112.692 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.5 m -57.81 -53.95 52.41 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.549 -1.344 . . . . 0.0 110.703 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.69 -41.22 99.56 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.98 -45.64 66.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.148 -1.207 . . . . 0.0 112.819 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 28.3 t80 -79.0 -43.4 24.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.656 -1.277 . . . . 0.0 111.218 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.2 -51.19 70.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.094 -1.004 . . . . 0.0 110.813 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.82 -40.33 97.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.039 -1.038 . . . . 0.0 110.899 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.97 -35.79 74.71 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.195 -0.941 . . . . 0.0 111.028 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.4 m80 -93.65 -31.55 14.42 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.655 -1.278 . . . . 0.0 110.623 -178.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.69 16.82 61.76 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 120.772 -1.205 . . . . 0.0 111.235 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.51 170.04 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.902 -1.352 . . . . 0.0 109.439 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 m -48.97 142.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.828 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -120.7 107.16 38.72 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -46.13 96.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.472 1.448 . . . . 0.0 110.936 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.49 -16.57 25.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.451 -0.78 . . . . 0.0 110.057 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.5 p -61.18 -11.93 10.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.962 -1.086 . . . . 0.0 109.346 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.91 -24.92 40.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 109.499 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -54.07 155.79 3.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.18 -0.95 . . . . 0.0 109.001 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.19 154.03 41.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.174 -0.954 . . . . 0.0 109.49 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -89.33 -2.69 58.53 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -109.11 124.79 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.21 142.72 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.574 -0.704 . . . . 0.0 109.211 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -78.79 123.39 27.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.531 -0.73 . . . . 0.0 110.08 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -86.0 135.52 33.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.402 -0.811 . . . . 0.0 109.4 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -110.19 165.57 11.65 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.434 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -138.59 150.47 46.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.313 -0.867 . . . . 0.0 109.799 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.4 t -76.54 111.3 11.88 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.8 p -68.3 -9.11 45.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.56 -0.713 . . . . 0.0 110.077 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.423 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.1 m-80 -97.39 -39.65 9.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.442 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.523 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.6 p -131.77 13.07 4.87 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.95 -1.094 . . . . 0.0 111.378 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 59.65 6.53 0.86 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.109 -0.995 . . . . 0.0 112.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.553 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 15.7 m -64.01 121.2 13.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.354 -1.466 . . . . 0.0 110.174 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -99.65 0.11 41.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.562 -0.711 . . . . 0.0 109.36 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -120.05 130.08 54.53 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.565 -0.709 . . . . 0.0 109.229 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -168.37 150.02 4.82 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.97 . . . . 0.0 109.62 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -82.62 -17.58 7.26 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.903 1.735 . . . . 0.0 110.812 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.401 HD21 HH21 ' A' ' 24' ' ' ARG . 19.3 tp -150.01 121.64 8.03 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.918 0.866 . . . . 0.0 110.129 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -84.98 123.08 30.12 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.591 0.71 . . . . 0.0 109.446 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.401 HH21 HD21 ' A' ' 22' ' ' LEU . 27.9 mmt180 -104.97 170.17 8.02 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -137.46 151.25 48.28 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.315 -0.865 . . . . 0.0 109.585 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.2 t30 -89.44 142.75 29.86 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -43.85 -11.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.506 1.471 . . . . 0.0 112.715 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -101.9 4.88 40.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.094 -1.004 . . . . 0.0 109.836 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.0 21.4 57.41 Favored Glycine 0 N--CA 1.493 2.442 0 O-C-N 121.189 -0.944 . . . . 0.0 111.432 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -95.64 112.26 58.44 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 120.795 -1.415 . . . . 0.0 109.555 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -48.91 138.79 26.36 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 121.931 1.754 . . . . 0.0 113.602 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.8 mt -135.48 159.5 41.39 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.432 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.1 p -82.86 -145.9 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.247 -1.533 . . . . 0.0 107.919 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -81.53 -63.43 1.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.025 -1.047 . . . . 0.0 110.815 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.175 -0.953 . . . . 0.0 113.377 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.3 m -58.71 -53.9 53.15 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.01 -1.681 . . . . 0.0 110.475 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.99 96.71 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.67 -40.07 80.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.168 -1.195 . . . . 0.0 110.252 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 39.5 t80 -75.73 -50.55 14.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 111.653 -178.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -60.03 -50.4 73.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 110.471 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.533 ' CB ' ' HZ1' ' A' ' 41' ' ' LYS . 7.4 ttpm? -59.98 -45.05 93.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.812 -1.18 . . . . 0.0 110.494 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.03 -38.73 75.97 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.998 -1.064 . . . . 0.0 110.714 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 65.6 m80 -86.43 -40.0 15.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.14 17.72 68.3 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 120.77 -1.207 . . . . 0.0 110.914 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.6 m -140.1 171.7 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.088 -1.243 . . . . 0.0 109.237 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 m -44.9 138.82 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.506 ' HG2' HH11 ' A' ' 47' ' ' ARG . 3.9 ttt-85 -99.72 133.29 21.88 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.43 -0.794 . . . . 0.0 109.032 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 50' ' ' SER . 55.4 Cg_endo -71.83 81.58 1.34 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.14 1.227 . . . . 0.0 109.908 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.91 -10.11 0.71 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.4 -0.813 . . . . 0.0 108.868 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 48' ' ' PRO . 37.7 m -58.67 -11.04 2.67 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.95 6.07 34.01 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.553 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 42.6 tptt -59.32 130.08 45.19 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.351 -0.843 . . . . 0.0 110.661 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.43 153.68 35.15 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.285 0.564 . . . . 0.0 109.999 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -98.33 -2.95 38.18 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.473 -0.767 . . . . 0.0 108.96 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.23 131.15 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.547 -0.721 . . . . 0.0 109.25 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.405 HG22 HD11 ' A' ' 56' ' ' ILE . 93.9 mt -124.54 137.45 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 CA-C-O 121.431 0.634 . . . . 0.0 109.713 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -70.16 123.51 21.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.377 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -87.62 135.84 33.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.216 -0.928 . . . . 0.0 109.681 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.437 ' HG2' HH11 ' A' ' 59' ' ' ARG . 36.6 mtt-85 -105.02 170.7 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.875 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 C--N 1.301 -1.526 0 CA-C-O 121.52 0.676 . . . . 0.0 109.924 -178.861 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.371 0.605 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.62 147.92 38.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.042 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -70.87 109.96 5.33 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 109.461 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -66.09 -12.5 55.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.866 -0.521 . . . . 0.0 110.395 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.527 HD21 ' NH2' ' A' ' 47' ' ' ARG . 6.3 m120 -101.06 -35.21 9.43 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.382 -0.824 . . . . 0.0 112.103 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 7.4 p -131.64 8.29 4.53 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.613 -1.304 . . . . 0.0 110.511 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 54.77 1.61 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 0.0 112.961 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.436 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 6.7 t -63.93 130.55 44.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.012 -1.68 . . . . 0.0 109.639 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -100.26 -10.2 21.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -102.54 120.66 40.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.368 -0.833 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 t -163.33 145.17 7.65 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.725 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.67 -20.3 15.7 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.774 1.65 . . . . 0.0 111.244 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.2 tp -152.87 130.07 11.21 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.383 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -87.47 124.32 33.31 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -105.32 171.97 7.04 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -135.96 150.38 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.312 -0.868 . . . . 0.0 108.956 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.5 t-20 -91.34 139.49 25.38 Favored Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.49 -11.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.062 1.841 . . . . 0.0 113.052 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.6 mt-10 -99.98 5.64 45.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.939 -1.101 . . . . 0.0 109.663 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 16.1 69.17 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.262 -0.899 . . . . 0.0 111.349 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -93.71 113.49 60.53 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.725 -1.456 . . . . 0.0 108.91 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.9 138.09 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 121.558 1.505 . . . . 0.0 112.952 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.4 mt -131.5 159.99 36.51 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.1 p -86.59 -141.81 0.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.521 -1.362 . . . . 0.0 108.418 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.545 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 31.7 p-10 -81.99 -69.92 0.58 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.757 -1.214 . . . . 0.0 112.106 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.545 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.92 -32.93 73.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.072 -1.018 . . . . 0.0 113.299 -176.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 m -58.01 -56.4 22.55 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.95 98.41 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.309 -1.117 . . . . 0.0 110.309 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.22 -39.99 78.25 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.263 -1.139 . . . . 0.0 112.433 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -79.19 -48.85 13.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.676 -1.265 . . . . 0.0 112.27 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.01 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.019 -1.051 . . . . 0.0 109.917 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.78 -42.82 98.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.161 -0.962 . . . . 0.0 110.363 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.3 mt -70.0 -34.82 73.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.065 -1.022 . . . . 0.0 111.224 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.645 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 54.0 m80 -92.13 -39.59 11.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.754 -1.216 . . . . 0.0 110.93 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.41 18.29 69.48 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 120.567 -1.333 . . . . 0.0 111.56 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.4 m -139.21 174.85 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.925 -1.338 . . . . 0.0 109.444 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -43.84 136.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.407 -0.808 . . . . 0.0 109.566 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.527 ' NH2' HD21 ' A' ' 14' ' ' ASN . 54.8 ttp180 -119.3 98.44 50.48 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.886 -0.509 . . . . 0.0 109.974 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.05 98.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 121.682 1.588 . . . . 0.0 110.937 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.1 -12.37 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 109.33 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 t -60.02 -11.98 7.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.316 -0.865 . . . . 0.0 109.746 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.5 mt -78.35 -15.06 59.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.078 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -55.28 147.01 17.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.974 -1.079 . . . . 0.0 109.628 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.79 152.61 39.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.406 -0.809 . . . . 0.0 109.484 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -88.46 -8.38 55.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.414 -0.804 . . . . 0.0 109.875 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -110.02 123.97 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.341 -0.85 . . . . 0.0 109.355 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.3 mt -115.75 129.96 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.652 -0.655 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.13 129.96 37.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.31 -0.869 . . . . 0.0 109.587 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 58' ' ' LYS . 13.3 mptt -85.69 129.99 34.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.329 -0.857 . . . . 0.0 109.457 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -97.72 167.44 10.95 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.198 -0.939 . . . . 0.0 109.576 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.653 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.967 -178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -145.04 149.3 34.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.411 -0.806 . . . . 0.0 109.266 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.34 111.1 7.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.043 -1.036 . . . . 0.0 108.518 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -67.83 -9.14 42.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.385 -0.822 . . . . 0.0 109.832 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.88 -40.96 9.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.319 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 14.4 p -131.22 4.0 4.36 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.998 -1.064 . . . . 0.0 111.793 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 57.11 3.63 0.15 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.902 -1.124 . . . . 0.0 112.964 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.484 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -65.14 134.56 54.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.126 -1.609 . . . . 0.0 109.224 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -99.8 -5.41 28.65 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.562 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -103.08 117.25 34.15 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.43 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -161.09 142.73 8.91 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 108.955 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.84 -19.62 9.59 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.827 1.685 . . . . 0.0 112.832 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.582 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.9 tp -154.86 123.71 6.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 0.0 109.548 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.92 127.77 32.65 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.429 0.633 . . . . 0.0 111.043 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -114.49 178.1 4.4 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -147.49 158.35 43.95 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.001 -1.062 . . . . 0.0 110.17 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.579 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.5 t-20 -85.9 142.83 36.89 Favored Pre-proline 0 N--CA 1.491 1.616 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.95 -8.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.701 1.6 . . . . 0.0 112.03 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.5 mt-10 -98.73 7.17 46.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 109.407 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.18 11.15 79.07 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 121.349 -0.844 . . . . 0.0 111.587 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -87.44 136.9 32.72 Favored Pre-proline 0 N--CA 1.497 1.9 0 O-C-N 120.583 -1.539 . . . . 0.0 108.666 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.04 134.56 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.28 1.987 . . . . 0.0 113.388 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -132.55 161.64 33.31 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.36 -166.23 1.54 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 6.4 m120 -73.29 -42.03 62.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.714 -1.241 . . . . 0.0 111.214 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.432 ' CB ' ' HZ1' ' A' ' 52' ' ' LYS . . . -67.15 -52.1 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.781 -1.199 . . . . 0.0 111.29 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -62.57 -50.35 71.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.684 -1.26 . . . . 0.0 111.113 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.03 72.09 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.637 -1.268 . . . . 0.0 110.424 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.9 mt -66.2 -39.92 90.02 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.013 -1.287 . . . . 0.0 109.954 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 29.9 t80 -72.58 -48.04 43.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.251 -0.906 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.15 -53.04 61.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 111.102 -176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.845 -1.16 . . . . 0.0 110.641 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.94 -38.22 76.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 110.615 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 77.1 m80 -87.07 -38.95 16.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.748 -1.22 . . . . 0.0 110.518 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.79 10.66 32.8 Favored Glycine 0 N--CA 1.492 2.374 0 O-C-N 120.718 -1.239 . . . . 0.0 111.056 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.7 140.52 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.279 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.94 146.14 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.591 0.71 . . . . 0.0 110.741 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -158.33 137.7 8.34 Favored Pre-proline 0 N--CA 1.49 1.551 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -31.22 113.31 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.814 2.343 . . . . 0.0 114.148 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.65 -13.64 59.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -56.7 -11.55 1.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.41 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.86 -30.11 65.1 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HZ1' ' CB ' ' A' ' 35' ' ' ALA . 47.6 tptt -55.04 162.82 1.2 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 153.66 41.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.071 -1.018 . . . . 0.0 109.538 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -88.72 -4.34 58.55 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.326 -0.859 . . . . 0.0 109.033 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.34 129.32 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.0 mt -119.46 130.13 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.37 -0.831 . . . . 0.0 109.846 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -80.64 133.01 35.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.405 -0.809 . . . . 0.0 109.21 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -84.2 129.52 34.89 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' A' ' 59' ' ' ARG . 53.9 mtt-85 -98.59 169.53 9.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.419 -0.8 . . . . 0.0 109.794 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 p30 . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.714 0.769 . . . . 0.0 110.385 -178.372 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 m -130.19 135.09 47.79 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.124 -0.985 . . . . 0.0 110.492 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -80.63 111.4 17.03 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -66.82 -11.59 55.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.516 -0.74 . . . . 0.0 110.054 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -100.21 -37.23 9.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.923 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 4.8 p -132.75 7.49 4.09 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.666 -1.271 . . . . 0.0 111.482 -178.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.488 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 58.28 -3.71 0.07 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.94 -1.1 . . . . 0.0 112.786 176.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.515 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 5.6 t -64.62 133.38 52.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.162 -1.586 . . . . 0.0 110.71 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 27.8 mp0 -104.78 -5.51 21.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.664 -0.648 . . . . 0.0 109.68 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -100.05 114.29 27.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.145 -0.972 . . . . 0.0 109.187 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -165.23 147.83 6.8 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.213 -0.929 . . . . 0.0 109.74 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.92 -17.57 10.74 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.23 1.953 . . . . 0.0 112.408 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.7 tp -155.32 121.02 5.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.17 -0.956 . . . . 0.0 110.53 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -80.95 130.23 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -109.46 177.85 4.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.515 -0.741 . . . . 0.0 109.973 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -137.84 151.29 47.93 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.379 -0.825 . . . . 0.0 110.006 -179.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.5 t-20 -90.58 141.07 26.85 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 109.331 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.99 -11.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.468 1.445 . . . . 0.0 112.167 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.4 mt-10 -97.4 6.95 47.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 0.0 109.283 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' ASN . . . 84.08 9.57 82.1 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.46 -0.775 . . . . 0.0 112.055 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -87.6 146.34 39.15 Favored Pre-proline 0 N--CA 1.497 1.875 0 O-C-N 120.548 -1.56 . . . . 0.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.79 132.34 10.71 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.064 1.842 . . . . 0.0 112.874 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.8 mt -126.27 159.99 31.56 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 p -84.48 -142.43 0.08 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.597 -1.314 . . . . 0.0 108.759 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.538 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 6.2 p-10 -81.09 -70.39 0.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.554 -1.341 . . . . 0.0 112.104 -178.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.76 -30.77 71.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.938 -1.101 . . . . 0.0 112.918 -176.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 m -58.61 -56.97 15.31 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.139 -1.601 . . . . 0.0 109.839 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.76 -45.79 95.52 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.12 -40.01 90.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.225 -1.162 . . . . 0.0 110.933 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.4 t80 -77.82 -49.76 13.66 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.303 -0.873 . . . . 0.0 111.336 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.48 -50.04 74.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.892 -1.13 . . . . 0.0 110.483 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -59.96 -45.17 93.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.068 -1.02 . . . . 0.0 110.733 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.0 -30.9 68.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.126 -0.984 . . . . 0.0 110.258 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.9 m80 -88.97 -38.29 14.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.92 -1.112 . . . . 0.0 110.611 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 10.02 55.29 Favored Glycine 0 N--CA 1.492 2.432 0 O-C-N 120.59 -1.319 . . . . 0.0 111.02 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 m -141.63 146.77 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.888 -1.36 . . . . 0.0 110.097 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.4 m -58.6 145.23 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.3 -0.875 . . . . 0.0 109.067 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.9 tpp180 -149.8 130.85 7.2 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 108.626 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.4 Cg_exo -34.13 116.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 122.09 1.86 . . . . 0.0 113.046 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.84 -7.25 2.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 48' ' ' PRO . 13.9 m -58.57 -17.57 22.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.22 -32.99 69.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.312 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 53' ' ' THR . 24.6 ttpp -57.87 160.51 4.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 108.8 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.478 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -142.94 150.13 39.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.298 -0.876 . . . . 0.0 109.695 178.398 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -83.01 -6.83 59.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.562 -0.711 . . . . 0.0 109.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.73 127.75 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 109.43 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -119.67 131.15 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -81.07 133.17 35.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -82.88 130.33 35.12 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -99.86 169.94 8.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.093 -1.004 . . . . 0.0 109.225 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.881 0.848 . . . . 0.0 111.048 -178.196 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.409 0.623 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.9 m -146.32 141.19 27.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.515 -0.741 . . . . 0.0 109.113 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.26 109.65 3.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.675 -1.266 . . . . 0.0 109.164 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.7 p -66.25 -10.23 40.1 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.559 -0.713 . . . . 0.0 109.891 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -98.48 -39.82 8.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.852 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.2 p -131.7 8.03 4.49 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.854 -1.154 . . . . 0.0 111.413 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 54.57 4.33 0.06 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.854 -1.154 . . . . 0.0 112.707 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.453 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -64.51 133.32 52.15 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.078 -1.638 . . . . 0.0 109.98 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -101.54 -8.69 21.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.386 -0.821 . . . . 0.0 109.498 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -101.08 117.92 35.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 109.034 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.6 t -163.2 142.57 6.71 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 120.981 -1.074 . . . . 0.0 110.147 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.78 -20.22 15.56 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.123 1.882 . . . . 0.0 111.524 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.6 tp -154.61 125.02 6.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.269 -0.895 . . . . 0.0 110.273 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -83.55 127.48 33.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.732 -0.605 . . . . 0.0 109.587 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -107.77 173.82 6.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.437 -0.79 . . . . 0.0 109.691 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -138.11 153.91 49.24 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.7 t-20 -91.84 141.02 25.06 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.361 -0.837 . . . . 0.0 108.983 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.41 -12.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.607 1.538 . . . . 0.0 112.49 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -100.18 6.06 44.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.192 -0.943 . . . . 0.0 109.552 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 21.99 54.34 Favored Glycine 0 N--CA 1.492 2.427 0 O-C-N 121.463 -0.773 . . . . 0.0 111.611 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -96.95 110.61 54.55 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.695 -1.474 . . . . 0.0 109.365 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.16 136.65 30.4 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.116 1.877 . . . . 0.0 113.412 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -134.31 161.12 35.85 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.53 -142.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.562 -1.336 . . . . 0.0 107.987 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.496 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 19.6 p-10 -82.01 -69.55 0.61 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.774 -1.204 . . . . 0.0 111.895 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.39 -36.98 84.0 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.2 m -56.93 -54.32 47.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.952 -1.717 . . . . 0.0 110.066 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.52 -45.12 96.88 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.14 -40.4 82.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.142 -1.211 . . . . 0.0 110.518 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.7 t80 -79.34 -50.96 10.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -0.864 . . . . 0.0 112.296 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.01 -48.8 80.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.129 -0.982 . . . . 0.0 110.126 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -59.94 -46.19 90.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.023 -1.048 . . . . 0.0 109.747 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.95 -33.8 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.247 -0.908 . . . . 0.0 110.851 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.635 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.3 m80 -90.87 -38.55 12.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.622 -1.298 . . . . 0.0 111.192 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.29 9.12 28.41 Favored Glycine 0 N--CA 1.492 2.393 0 O-C-N 120.466 -1.396 . . . . 0.0 110.551 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.13 143.65 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 109.738 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.03 146.09 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.467 -0.77 . . . . 0.0 109.884 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 48' ' ' PRO . 11.3 tpp180 -150.05 133.03 8.37 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 50' ' ' SER . 31.3 Cg_exo -33.72 108.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.112 1.875 . . . . 0.0 112.974 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.37 -6.94 0.75 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 48' ' ' PRO . 71.0 m -60.9 -11.28 7.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.581 -0.7 . . . . 0.0 110.354 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.99 -30.97 68.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.813 -1.179 . . . . 0.0 108.893 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.9 ttpt -55.83 159.05 3.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 0.0 109.824 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -147.07 154.4 41.13 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.602 0.715 . . . . 0.0 109.642 178.688 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -85.78 -7.38 58.79 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.9 125.52 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -117.35 131.75 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.554 -0.716 . . . . 0.0 109.929 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -71.02 123.13 21.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -82.46 132.25 35.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.186 -0.946 . . . . 0.0 109.803 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -102.91 169.99 8.25 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.988 0.899 . . . . 0.0 111.404 -177.14 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -138.76 152.14 47.68 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.395 -0.816 . . . . 0.0 109.185 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -75.19 111.63 10.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.035 -1.04 . . . . 0.0 109.38 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.7 p -67.63 -9.98 48.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.718 -0.614 . . . . 0.0 109.986 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -98.23 -42.71 7.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.204 -0.935 . . . . 0.0 110.583 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.9 p -126.72 2.33 6.75 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.935 -1.103 . . . . 0.0 111.198 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 57.28 3.43 0.16 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.051 . . . . 0.0 112.688 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.455 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 5.8 t -64.55 131.04 45.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.281 -1.512 . . . . 0.0 109.838 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -98.21 -3.91 36.53 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -105.32 115.92 31.07 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t -164.22 143.5 6.11 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -77.16 -17.96 14.67 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.035 1.823 . . . . 0.0 112.897 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.7 tp -156.56 125.31 5.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.738 -1.226 . . . . 0.0 110.723 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -81.99 123.89 29.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -105.46 178.32 4.59 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -139.13 152.15 47.24 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.834 -179.146 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.3 t30 -92.42 141.78 25.21 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 109.527 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -43.67 -11.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.011 1.807 . . . . 0.0 112.501 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.6 mt-10 -96.78 6.76 48.05 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.246 -0.909 . . . . 0.0 109.463 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.08 9.23 82.7 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -88.46 148.52 42.44 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 120.62 -1.517 . . . . 0.0 108.689 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.43 137.29 10.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.456 2.104 . . . . 0.0 112.983 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.1 mt -130.06 160.17 34.53 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.414 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.8 p -83.16 -140.03 0.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.333 -1.48 . . . . 0.0 109.032 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.541 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 22.6 p-10 -82.72 -70.64 0.54 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.92 -1.113 . . . . 0.0 112.158 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.541 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.58 -35.0 79.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.914 -1.116 . . . . 0.0 113.212 -177.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.1 m -56.99 -55.71 31.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.221 -1.549 . . . . 0.0 110.113 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.6 -44.17 97.94 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.022 -1.085 . . . . 0.0 110.633 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.4 mt -66.75 -39.98 88.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.093 -1.239 . . . . 0.0 111.203 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.633 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 45.2 t80 -72.63 -49.21 33.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.291 -0.881 . . . . 0.0 111.195 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.59 -49.77 76.21 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.402 -0.811 . . . . 0.0 110.823 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.99 -46.41 89.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.963 -1.085 . . . . 0.0 109.665 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.91 -37.44 75.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.598 -0.689 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.633 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 65.8 m80 -88.03 -41.07 13.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.634 -1.291 . . . . 0.0 110.494 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.9 7.63 37.33 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.652 -1.28 . . . . 0.0 110.154 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.86 142.8 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.246 -1.15 . . . . 0.0 109.951 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -59.21 139.29 19.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.397 -0.814 . . . . 0.0 108.999 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -147.31 130.52 8.09 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 50' ' ' SER . 39.6 Cg_exo -36.4 116.04 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 122.113 1.875 . . . . 0.0 113.002 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.64 -6.43 7.73 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 48' ' ' PRO . 18.6 t -57.05 -15.35 5.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.89 -37.96 64.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.186 -0.946 . . . . 0.0 109.318 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 53' ' ' THR . 29.8 tttp -56.42 167.05 0.75 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.063 -1.023 . . . . 0.0 109.347 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.403 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -148.01 155.75 41.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.348 -0.845 . . . . 0.0 109.584 178.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.87 -0.18 57.13 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.81 127.47 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -124.91 136.3 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -86.77 138.87 31.26 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.357 -0.839 . . . . 0.0 108.795 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -84.32 135.74 34.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.494 HH11 ' HG2' ' A' ' 59' ' ' ARG . 5.4 mmt-85 -100.65 166.77 10.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.876 . . . . 0.0 109.437 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 . . . . . 0 C--N 1.3 -1.569 0 CA-C-O 121.689 0.757 . . . . 0.0 110.088 -178.489 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.612 0.72 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.3 m -144.84 148.47 34.02 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.5 t -76.03 110.72 10.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.144 -0.972 . . . . 0.0 109.389 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.6 p -66.9 -11.12 55.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.683 -0.635 . . . . 0.0 110.492 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -98.07 -38.67 9.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.359 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.541 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 10.2 p -132.71 4.63 3.91 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 55.73 6.61 0.21 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 112.472 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.541 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 15.0 t -66.12 130.35 42.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 119.985 -1.697 . . . . 0.0 109.697 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.495 HE21 ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -99.97 -4.44 30.08 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.065 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -105.47 115.44 30.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.496 -0.753 . . . . 0.0 109.259 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -165.46 147.82 6.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -78.7 -18.19 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.115 1.876 . . . . 0.0 112.665 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.1 tp -152.76 125.03 8.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.12 -0.988 . . . . 0.0 110.289 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -86.51 127.78 34.91 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 121.417 0.627 . . . . 0.0 109.53 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -109.41 176.93 4.9 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 25' ' ' ARG . 13.9 ptt-85 -136.53 153.19 51.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.407 -0.808 . . . . 0.0 110.039 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.6 t-20 -88.96 138.86 29.05 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.031 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.78 -11.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.564 1.51 . . . . 0.0 111.718 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.7 mt-10 -101.1 5.62 42.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.33 -0.857 . . . . 0.0 109.395 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 12.64 70.82 Favored Glycine 0 N--CA 1.491 2.356 0 O-C-N 121.52 -0.737 . . . . 0.0 111.877 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -93.55 114.6 63.37 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 120.381 -1.658 . . . . 0.0 109.195 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.08 141.4 22.82 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.461 2.107 . . . . 0.0 114.3 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -134.57 159.9 39.76 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.4 p -85.93 -148.06 0.12 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.48 -1.387 . . . . 0.0 108.149 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.503 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 14.4 p-10 -77.12 -67.45 0.71 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.009 -1.057 . . . . 0.0 111.906 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.21 -37.6 87.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 0.0 113.241 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.46 -55.67 32.08 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 119.884 -1.76 . . . . 0.0 110.271 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.2 96.55 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.371 -1.091 . . . . 0.0 110.371 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.1 mt -67.44 -40.26 85.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.43 -1.041 . . . . 0.0 110.067 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 59.3 t80 -75.8 -46.35 31.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.497 -0.752 . . . . 0.0 111.61 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.57 -50.15 70.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.12 -45.54 92.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 0.0 110.342 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.51 -33.25 69.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.065 -1.022 . . . . 0.0 111.955 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.641 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 50.0 m80 -91.8 -38.49 12.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.563 -1.335 . . . . 0.0 111.521 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.08 5.12 25.17 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.637 -1.289 . . . . 0.0 111.281 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.3 141.43 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.121 -1.223 . . . . 0.0 109.596 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -55.87 144.67 7.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 CA-C-O 121.402 0.62 . . . . 0.0 110.03 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.2 tpt180 -150.71 129.19 6.04 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.5 Cg_exo -31.29 108.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.164 1.909 . . . . 0.0 113.337 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.07 -12.94 9.46 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -60.0 -9.99 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.63 -37.15 73.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.968 -1.082 . . . . 0.0 109.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -54.06 166.65 0.35 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.551 ' HG1' ' N ' ' A' ' 54' ' ' ASP . 5.7 t -148.15 155.86 41.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.863 -1.148 . . . . 0.0 110.109 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.551 ' N ' ' HG1' ' A' ' 53' ' ' THR . 94.4 m-20 -85.99 -0.8 56.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.6 -0.688 . . . . 0.0 110.199 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 p -118.58 129.6 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.303 -0.873 . . . . 0.0 108.889 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.42 HD11 HG22 ' A' ' 56' ' ' ILE . 97.2 mt -121.04 135.23 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.65 129.89 35.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -0.861 . . . . 0.0 109.609 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -82.69 130.52 35.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.977 -1.077 . . . . 0.0 108.353 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -104.04 170.6 7.82 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.338 -0.851 . . . . 0.0 109.527 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.824 0.821 . . . . 0.0 110.382 -178.889 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.8 m -131.4 141.44 49.86 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.637 0.732 . . . . 0.0 110.194 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.2 t -71.74 112.53 7.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.52 -0.738 . . . . 0.0 109.041 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -68.61 -9.72 51.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.714 -0.616 . . . . 0.0 109.993 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -97.33 -39.1 9.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 0.0 110.169 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 11.2 p -132.1 9.11 4.44 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.854 -1.154 . . . . 0.0 111.439 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 55.85 0.85 0.05 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.626 -1.296 . . . . 0.0 112.509 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 7.1 t -63.32 128.32 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 119.985 -1.697 . . . . 0.0 108.719 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -100.46 -8.88 22.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.655 -0.653 . . . . 0.0 109.245 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -99.85 119.6 38.45 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 t -162.22 145.42 8.98 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -84.2 -15.82 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.4 2.067 . . . . 0.0 111.497 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 tp -151.89 123.18 7.73 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.85 0.833 . . . . 0.0 109.942 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -87.21 127.06 35.16 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.571 0.7 . . . . 0.0 110.295 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -107.48 175.83 5.36 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -140.18 151.16 45.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.066 -1.021 . . . . 0.0 109.441 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLU . 26.4 t30 -92.03 140.76 24.75 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.296 -0.878 . . . . 0.0 109.093 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.64 1.56 . . . . 0.0 112.623 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' ASN . 92.9 mt-10 -98.55 3.85 48.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.107 -0.996 . . . . 0.0 109.068 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.69 12.9 71.11 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -92.14 138.21 24.59 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.77 -1.429 . . . . 0.0 108.339 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.76 137.29 19.89 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.982 1.788 . . . . 0.0 112.327 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.6 mt -128.37 159.98 33.65 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -83.01 -159.74 0.36 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 37.5 p-10 -79.39 -43.26 23.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.797 -1.189 . . . . 0.0 110.976 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.528 ' C ' HH12 ' A' ' 47' ' ' ARG . . . -67.29 -50.11 61.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.04 -1.038 . . . . 0.0 112.028 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.6 m -59.74 -53.96 51.91 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.678 -1.263 . . . . 0.0 110.293 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.43 -46.9 92.44 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.784 -1.327 . . . . 0.0 109.784 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.84 -41.01 79.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.974 -1.309 . . . . 0.0 110.703 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.6 t80 -80.31 -48.33 13.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.231 -0.918 . . . . 0.0 111.578 -178.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.17 -48.18 82.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.305 -0.872 . . . . 0.0 109.853 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -59.96 -45.93 91.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.816 -1.178 . . . . 0.0 110.305 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.97 -31.02 68.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.422 -0.799 . . . . 0.0 110.64 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.5 m80 -92.54 -34.83 13.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.86 -1.15 . . . . 0.0 111.149 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.71 15.43 54.23 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 120.669 -1.269 . . . . 0.0 111.024 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.69 170.41 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.061 -1.258 . . . . 0.0 109.47 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.6 m -49.39 143.3 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.182 -0.949 . . . . 0.0 110.431 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.528 HH12 ' C ' ' A' ' 35' ' ' ALA . 40.8 ttt180 -112.13 132.96 21.81 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' A' ' 50' ' ' SER . 30.6 Cg_endo -66.14 88.21 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 120.794 0.996 . . . . 0.0 110.438 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.44 ' C ' ' H ' ' A' ' 51' ' ' LEU . 47.8 mt -57.36 -10.42 1.36 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.329 -0.857 . . . . 0.0 109.112 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 52' ' ' LYS . 77.4 p -59.53 -10.02 3.04 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 49' ' ' LEU . 94.4 mt -78.99 16.5 0.9 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -60.66 121.16 11.52 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.497 0.665 . . . . 0.0 110.484 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.525 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 1.7 t -145.27 142.66 29.68 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.855 0.836 . . . . 0.0 110.08 178.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -93.03 0.01 57.25 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.525 ' H ' ' HG1' ' A' ' 53' ' ' THR . 94.9 t -114.43 129.97 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.56 -0.713 . . . . 0.0 109.916 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.41 133.23 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -68.78 124.82 24.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.194 -0.941 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -88.3 133.92 33.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -101.42 169.32 8.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.321 -0.862 . . . . 0.0 108.941 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 p30 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.474 -0.766 . . . . 0.0 110.898 -178.538 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -141.03 147.77 39.17 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.498 -0.751 . . . . 0.0 109.141 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.1 t -73.63 112.82 10.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.047 -1.033 . . . . 0.0 109.709 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -67.83 -11.77 59.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.829 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.07 -40.04 9.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 110.282 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.6 p -131.64 5.55 4.32 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.826 -1.171 . . . . 0.0 111.667 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 58.04 1.28 0.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.819 -1.176 . . . . 0.0 112.589 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.448 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -63.5 131.51 48.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.185 -1.572 . . . . 0.0 109.606 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -102.3 -7.95 21.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.582 -0.699 . . . . 0.0 109.413 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.3 m -104.1 120.78 41.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.401 -0.812 . . . . 0.0 109.072 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.646 ' CB ' HD21 ' A' ' 34' ' ' ASN . 0.1 OUTLIER -165.02 150.34 8.41 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.218 -0.926 . . . . 0.0 109.544 -179.739 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.93 -17.56 10.73 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.886 1.724 . . . . 0.0 111.854 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.0 tp -156.22 126.97 6.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.227 -0.92 . . . . 0.0 110.238 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -85.23 129.18 34.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.758 -0.589 . . . . 0.0 109.697 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -108.23 176.38 5.15 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.537 ' CD ' ' N ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -140.1 151.23 45.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.389 -0.82 . . . . 0.0 109.05 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.562 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.8 t-20 -88.96 141.01 29.25 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.271 -0.893 . . . . 0.0 109.158 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -44.38 -10.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.735 1.623 . . . . 0.0 112.032 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.7 mm-40 -97.49 5.81 49.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.197 -0.94 . . . . 0.0 109.073 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ASN . . . 82.9 15.59 72.31 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -91.97 138.95 24.45 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 120.734 -1.45 . . . . 0.0 108.489 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.0 131.03 15.04 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.922 1.748 . . . . 0.0 112.878 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -126.62 158.73 35.55 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -82.11 -144.58 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.426 -1.421 . . . . 0.0 108.818 178.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.646 HD21 ' CB ' ' A' ' 20' ' ' THR . 2.8 p30 -80.98 -66.2 0.92 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.835 -1.166 . . . . 0.0 111.857 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.485 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -64.58 -36.94 85.85 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.23 -55.55 33.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.033 -1.667 . . . . 0.0 110.311 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.28 96.1 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.6 mt -68.07 -40.02 82.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.03 -1.276 . . . . 0.0 109.806 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 71.9 t80 -74.2 -52.17 13.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.477 -0.765 . . . . 0.0 111.407 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 tp -60.88 -50.36 73.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.951 -1.093 . . . . 0.0 110.268 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.3 -48.29 82.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.857 -1.152 . . . . 0.0 110.945 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.15 -32.37 70.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.026 -1.047 . . . . 0.0 110.768 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 77.9 m80 -90.96 -39.01 12.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.551 -1.343 . . . . 0.0 110.427 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.98 10.08 31.19 Favored Glycine 0 N--CA 1.491 2.35 0 O-C-N 120.857 -1.152 . . . . 0.0 111.644 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.63 141.57 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.908 -1.348 . . . . 0.0 110.201 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.24 140.64 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 109.822 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -151.75 131.24 6.76 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ARG . 30.0 Cg_exo -33.52 112.97 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.228 0 C-N-CA 122.034 1.823 . . . . 0.0 112.788 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.77 -7.93 2.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.2 p -60.03 -12.37 7.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.388 -0.82 . . . . 0.0 109.858 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.023 -1.048 . . . . 0.0 108.561 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -57.45 162.73 2.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 108.693 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.93 151.34 38.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.109 -0.994 . . . . 0.0 109.608 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -88.5 -3.44 58.81 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.5 t -111.99 130.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -122.09 134.93 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.603 -0.686 . . . . 0.0 110.355 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -80.3 134.02 36.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.87 . . . . 0.0 108.705 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.89 127.52 32.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.15 -0.969 . . . . 0.0 109.038 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -99.45 166.54 11.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.433 -0.792 . . . . 0.0 108.966 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 C--N 1.299 -1.594 0 CA-C-O 122.144 0.973 . . . . 0.0 110.69 -178.443 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.56 0.695 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -144.44 141.6 29.73 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.5 t -66.71 107.53 2.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.95 -1.094 . . . . 0.0 109.464 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -67.96 -10.48 53.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.529 -0.732 . . . . 0.0 109.508 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -96.18 -37.98 10.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.93 . . . . 0.0 110.503 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.37 10.05 3.76 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.799 -1.188 . . . . 0.0 110.942 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 58.39 6.06 0.51 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.37 -0.831 . . . . 0.0 113.125 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -60.9 124.83 21.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.053 -1.654 . . . . 0.0 109.595 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -99.02 -0.65 41.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.539 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -117.86 126.51 52.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.466 -0.771 . . . . 0.0 109.731 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.405 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 3.4 t -165.8 147.84 6.27 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.729 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.98 -18.04 10.4 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.845 1.697 . . . . 0.0 110.973 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.2 tp -151.6 126.01 9.42 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.43 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.405 ' CE2' ' CG2' ' A' ' 20' ' ' THR . 78.3 m95 -86.82 125.86 34.25 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.871 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -105.45 170.11 8.07 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -133.75 150.21 51.48 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.425 -0.797 . . . . 0.0 109.828 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.3 t30 -93.06 141.72 24.44 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 109.573 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -45.27 -11.09 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.766 1.644 . . . . 0.0 112.149 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.7 mt-10 -97.2 5.08 50.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 109.301 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.33 12.53 80.44 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -91.91 143.18 27.36 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.815 -1.403 . . . . 0.0 108.721 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.08 139.64 21.79 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.638 1.558 . . . . 0.0 112.756 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.8 mt -129.17 157.78 40.84 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.2 p -82.1 -144.39 0.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.246 -1.534 . . . . 0.0 107.967 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.757 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -81.52 -65.39 1.02 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.872 -1.143 . . . . 0.0 111.026 -179.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.757 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.8 -38.17 89.62 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.4 m -58.47 -56.01 27.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 119.997 -1.689 . . . . 0.0 109.946 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.36 -46.78 93.7 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.65 -41.2 88.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -1.127 . . . . 0.0 111.241 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 63.7 t80 -77.79 -50.11 12.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 111.314 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.24 -50.09 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.102 -0.999 . . . . 0.0 110.089 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.91 -45.47 92.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.203 -0.935 . . . . 0.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.95 -30.38 67.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.087 -1.008 . . . . 0.0 111.09 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 58.2 m80 -92.86 -38.72 11.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.591 -1.318 . . . . 0.0 110.921 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.15 15.99 61.6 Favored Glycine 0 N--CA 1.492 2.419 0 O-C-N 120.678 -1.264 . . . . 0.0 111.441 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -138.41 151.3 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.853 -1.381 . . . . 0.0 110.175 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.33 150.93 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 109.191 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -160.53 127.81 2.66 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 109.274 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -38.4 110.85 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.216 1.944 . . . . 0.0 113.782 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 51' ' ' LEU . 96.1 mt -62.0 -10.0 8.66 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.6 m -54.8 -9.14 0.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.461 -0.774 . . . . 0.0 109.118 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.6 mt -78.42 -24.58 46.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.824 . . . . 0.0 109.474 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 11.5 tmtt? -52.63 150.84 4.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 109.082 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.54 149.57 36.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 109.868 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 91.1 m-20 -89.27 -7.31 55.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.529 -0.732 . . . . 0.0 109.172 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.2 t -110.01 128.41 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.2 mt -120.38 137.17 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-O 121.314 0.578 . . . . 0.0 109.509 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 57' ' ' LYS . 7.3 ttpm? -82.28 131.67 35.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.383 -0.823 . . . . 0.0 109.288 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -86.25 131.24 34.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.405 -0.81 . . . . 0.0 109.827 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -100.64 170.5 8.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.158 -0.964 . . . . 0.0 108.93 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.7 m120 . . . . . 0 C--N 1.3 -1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 110.296 -178.859 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.4 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.344 0.592 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.3 m -142.8 140.32 31.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.465 -0.772 . . . . 0.0 109.176 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -67.49 110.99 3.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.217 -0.927 . . . . 0.0 109.452 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -67.14 -10.87 54.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.612 -0.68 . . . . 0.0 110.264 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -98.42 -38.57 9.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.153 -0.967 . . . . 0.0 110.877 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 7.3 p -134.54 0.97 3.07 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.866 -1.146 . . . . 0.0 111.59 -177.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 52.82 48.89 21.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.81 -1.181 . . . . 0.0 110.519 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.515 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 1.2 m -84.05 109.94 18.07 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.588 -0.695 . . . . 0.0 109.311 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -88.29 0.73 55.81 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.288 -1.507 . . . . 0.0 109.831 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.6 m -126.08 117.84 24.03 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.417 ' OG1' ' OD1' ' A' ' 34' ' ' ASN . 3.5 t -160.96 144.73 10.0 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.176 -0.953 . . . . 0.0 109.731 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.43 -17.12 10.33 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.727 1.618 . . . . 0.0 112.01 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.8 tp -155.23 122.86 5.66 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.138 -0.976 . . . . 0.0 110.467 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -82.62 127.88 33.8 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.337 0.589 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -109.18 178.47 4.44 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.75 157.87 44.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.851 -1.155 . . . . 0.0 110.045 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 28' ' ' GLU . 9.4 t-20 -88.41 140.63 30.21 Favored Pre-proline 0 N--CA 1.493 1.682 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -49.16 -7.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 CA-C-N 119.954 1.019 . . . . 0.0 111.045 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -97.56 9.1 43.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.417 -0.802 . . . . 0.0 109.272 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 6.19 86.69 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 121.218 -0.926 . . . . 0.0 112.007 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' NE2' ' CB ' ' A' ' 28' ' ' GLU . 3.2 mp0 -89.44 147.69 38.66 Favored Pre-proline 0 N--CA 1.498 1.97 0 O-C-N 120.512 -1.581 . . . . 0.0 108.504 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.67 143.18 18.64 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.374 2.049 . . . . 0.0 113.733 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -134.22 160.5 37.68 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.4 p -84.5 -141.46 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.306 -1.496 . . . . 0.0 108.549 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.744 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.1 p-10 -80.96 -70.17 0.55 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.038 -1.039 . . . . 0.0 111.666 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.744 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -65.68 -30.95 71.71 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.5 m -57.29 -56.42 22.07 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 119.905 -1.747 . . . . 0.0 110.309 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.82 -46.05 94.95 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.45 -43.32 85.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.008 -1.29 . . . . 0.0 110.292 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 82.6 t80 -70.45 -52.44 22.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 0.0 111.97 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.21 -49.97 75.53 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.398 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -60.92 -45.61 93.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.142 -0.974 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.09 -35.69 74.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 111.387 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 80.3 m80 -91.75 -36.79 13.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.687 -1.258 . . . . 0.0 110.879 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.73 15.12 57.26 Favored Glycine 0 N--CA 1.493 2.492 0 O-C-N 120.908 -1.12 . . . . 0.0 112.002 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 m -141.31 142.63 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 CA-C-N 119.186 1.493 . . . . 0.0 110.434 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.08 140.64 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.259 0.552 . . . . 0.0 110.544 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.515 HH11 ' HG2' ' A' ' 47' ' ' ARG . 4.0 ttt-85 -156.07 136.99 9.17 Favored Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -34.42 110.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.299 2.0 . . . . 0.0 114.034 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 51' ' ' LEU . 88.9 mt -61.24 -12.42 13.08 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -55.7 -7.53 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.795 . . . . 0.0 109.313 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 49' ' ' LEU . 86.3 mt -69.93 -27.52 64.83 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 53' ' ' THR . 59.9 tttt -55.02 159.01 2.57 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.872 0.844 . . . . 0.0 109.651 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.53 155.63 40.65 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.387 0.613 . . . . 0.0 109.514 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -85.76 -8.06 58.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 0.0 108.696 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.3 t -109.21 122.91 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.21 132.09 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.659 -0.651 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -67.91 119.02 11.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.14 -0.975 . . . . 0.0 109.184 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.67 129.59 34.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.856 . . . . 0.0 108.916 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -100.99 165.65 11.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.246 -0.909 . . . . 0.0 109.384 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m120 . . . . . 0 C--N 1.3 -1.584 0 CA-C-O 121.67 0.747 . . . . 0.0 110.422 -178.36 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.8 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.632 0.73 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 m -140.73 152.94 45.68 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' PHE . 5.8 t -79.7 112.19 16.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.998 -1.064 . . . . 0.0 110.385 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.0 p -68.61 -10.06 53.64 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 109.914 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -96.66 -40.3 9.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.1 p -133.97 6.29 3.65 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.918 -1.114 . . . . 0.0 110.784 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' CYS . 95.5 m-85 54.46 5.89 0.1 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 113.119 177.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.452 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.5 t -64.17 129.27 39.3 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 119.964 -1.71 . . . . 0.0 110.467 -179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -99.6 -0.1 41.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -107.97 114.32 28.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 109.206 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -162.53 147.5 9.7 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -79.5 -16.71 11.75 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.944 1.762 . . . . 0.0 112.372 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 tp -154.38 123.93 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.802 -1.186 . . . . 0.0 109.968 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -82.7 126.19 32.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.505 -0.747 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -107.55 177.29 4.88 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.64 151.77 46.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.184 -0.948 . . . . 0.0 109.423 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.9 t30 -88.21 141.66 31.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 108.771 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.04 -9.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.682 1.588 . . . . 0.0 112.494 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.8 mt-10 -98.6 9.44 43.24 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.083 -1.011 . . . . 0.0 109.476 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.01 9.27 85.52 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.168 -0.958 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.04 146.18 35.93 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.596 -1.532 . . . . 0.0 108.629 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.67 137.55 18.24 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.104 1.869 . . . . 0.0 113.78 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.3 mt -130.13 158.65 39.09 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.2 -141.41 0.08 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.688 -1.257 . . . . 0.0 108.555 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 1.3 p-10 -82.35 -71.5 0.48 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.102 -0.999 . . . . 0.0 111.916 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.66 73.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.86 -1.15 . . . . 0.0 113.46 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.2 m -59.15 -58.34 9.05 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.811 -1.806 . . . . 0.0 110.379 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.24 95.8 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.71 -40.72 84.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.231 -1.158 . . . . 0.0 110.282 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 44.7 t80 -73.62 -45.81 50.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 111.587 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.75 -51.76 67.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.745 -1.222 . . . . 0.0 110.408 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.03 -48.99 79.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 111.647 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.69 -39.25 77.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.039 -1.038 . . . . 0.0 111.236 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 78.3 m80 -87.01 -30.19 21.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.392 -1.442 . . . . 0.0 109.981 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.76 12.43 3.57 Favored Glycine 0 N--CA 1.49 2.28 0 O-C-N 121.225 -0.922 . . . . 0.0 111.625 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.14 139.44 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.715 -1.462 . . . . 0.0 109.968 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.07 143.07 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 110.728 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 25.9 ttm180 -156.7 137.97 9.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.9 Cg_exo -30.49 115.22 0.05 OUTLIER 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.66 2.24 . . . . 0.0 113.53 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.07 -9.66 3.43 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 48' ' ' PRO . 68.0 m -59.75 -13.05 8.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.055 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.21 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.63 160.81 5.18 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.52 147.58 34.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.004 -1.06 . . . . 0.0 110.028 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -86.3 -8.07 58.0 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.5 t -105.88 122.59 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.2 mt -117.86 129.98 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.294 0.568 . . . . 0.0 109.865 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.9 131.24 41.27 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.08 127.99 34.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.947 -1.096 . . . . 0.0 110.604 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -98.09 167.39 10.92 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 . . . . . 0 C--N 1.3 -1.549 0 CA-C-O 121.933 0.873 . . . . 0.0 111.35 -177.026 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.576 0.703 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 m -139.72 143.45 37.04 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.65 109.11 4.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.646 -1.284 . . . . 0.0 108.83 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -67.55 -10.01 47.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.841 -0.537 . . . . 0.0 109.759 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -97.01 -42.84 7.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.367 -0.833 . . . . 0.0 110.754 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.6 p -129.13 5.14 5.3 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.857 -1.152 . . . . 0.0 110.737 -178.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 59.32 4.12 0.45 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.291 -0.881 . . . . 0.0 112.765 177.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.448 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -65.7 131.14 45.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.06 -1.65 . . . . 0.0 109.473 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -100.06 -9.29 22.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.516 -0.74 . . . . 0.0 109.67 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -100.02 120.08 39.27 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.278 -0.888 . . . . 0.0 109.181 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.44 ' HG1' HD21 ' A' ' 34' ' ' ASN . 10.0 t -163.14 142.93 6.91 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.12 -16.0 12.62 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.858 1.706 . . . . 0.0 112.358 179.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.6 tp -152.76 120.93 6.23 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 -179.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -79.99 127.09 31.87 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.696 0.76 . . . . 0.0 109.752 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -110.79 176.97 4.82 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.491 ' CD ' ' N ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -142.18 155.48 45.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.192 -0.943 . . . . 0.0 109.146 179.04 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.547 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.0 t30 -87.98 141.84 31.68 Favored Pre-proline 0 N--CA 1.489 1.509 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -47.12 -9.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 120.844 1.029 . . . . 0.0 111.398 178.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.7 mt-10 -98.41 0.67 45.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.355 -0.84 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.18 61.02 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 121.365 -0.834 . . . . 0.0 111.244 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -95.31 111.9 56.77 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.83 -1.394 . . . . 0.0 108.997 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.34 136.23 25.46 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.612 1.541 . . . . 0.0 113.091 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.5 mt -129.43 159.71 35.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.59 -145.44 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.516 -1.365 . . . . 0.0 108.095 178.216 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 3.5 p30 -80.8 -65.65 0.98 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.892 -1.13 . . . . 0.0 111.343 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.62 -40.02 95.64 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -176.807 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.3 m -56.65 -56.08 25.86 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.219 -1.551 . . . . 0.0 110.692 -178.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.09 -48.43 86.15 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.92 -40.92 95.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.085 -1.244 . . . . 0.0 110.212 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 61.0 t80 -71.3 -51.43 24.41 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.555 -0.715 . . . . 0.0 111.064 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.63 -50.03 75.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.813 . . . . 0.0 111.087 -177.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.91 -46.02 90.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.864 -1.148 . . . . 0.0 110.661 -179.143 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.95 -34.29 73.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.301 -0.874 . . . . 0.0 110.443 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 59.4 m80 -85.78 -40.81 15.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.668 -1.27 . . . . 0.0 110.279 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.34 9.53 30.73 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.65 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.21 140.05 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.005 -1.291 . . . . 0.0 109.966 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.46 141.04 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.568 -0.707 . . . . 0.0 110.086 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' PRO . 27.8 ttm180 -159.99 136.6 6.53 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 50' ' ' SER . 8.6 Cg_exo -29.39 113.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 122.65 2.234 . . . . 0.0 113.691 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.56 -8.19 4.08 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 48' ' ' PRO . 58.5 p -55.52 -13.04 1.33 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.82 -32.13 69.09 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -59.84 159.39 9.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.509 -0.745 . . . . 0.0 109.184 178.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 t -144.81 151.69 39.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.034 -1.041 . . . . 0.0 110.327 178.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -89.3 -4.26 58.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.3 t -109.63 127.2 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -123.31 139.15 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 121.653 0.739 . . . . 0.0 110.085 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -85.46 133.1 34.11 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -84.18 132.32 34.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.189 -0.944 . . . . 0.0 109.296 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.424 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 2.3 mmp_? -103.71 169.52 8.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.306 -0.871 . . . . 0.0 109.699 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m120 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.91 0.862 . . . . 0.0 110.738 -178.465 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 m . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -138.03 144.06 40.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.556 -0.715 . . . . 0.0 109.23 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.2 t -72.45 111.55 7.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.828 . . . . 0.0 109.469 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 p -66.52 -9.69 37.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.76 . . . . 0.0 109.599 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -99.8 -39.79 8.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.412 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.566 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 9.0 p -133.56 11.53 4.08 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.719 -1.238 . . . . 0.0 110.794 -178.734 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 48.4 p90 44.1 7.06 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 178.305 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.558 ' N ' ' O ' ' A' ' 15' ' ' CYS . 14.2 t -60.81 132.63 54.49 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.451 -1.406 . . . . 0.0 109.165 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.5 -0.06 41.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -179.292 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -113.37 116.74 30.14 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.581 -0.7 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -166.68 146.87 5.03 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.141 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.67 -17.9 12.27 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.101 1.867 . . . . 0.0 112.802 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -153.29 126.77 8.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.875 -1.14 . . . . 0.0 110.725 -178.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -86.6 128.6 35.0 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.209 0.528 . . . . 0.0 109.587 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -110.65 175.1 5.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.556 -0.715 . . . . 0.0 109.442 -179.013 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 25' ' ' ARG . 18.5 ptt-85 -136.78 151.73 49.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.296 -0.877 . . . . 0.0 110.037 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.5 t-20 -92.07 141.21 24.98 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.05 -11.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.431 1.421 . . . . 0.0 112.456 178.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.6 mm-40 -102.17 4.06 39.07 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.203 -0.936 . . . . 0.0 110.103 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.93 17.87 60.63 Favored Glycine 0 N--CA 1.495 2.593 0 O-C-N 121.172 -0.955 . . . . 0.0 111.699 179.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -93.35 113.07 59.08 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 120.631 -1.511 . . . . 0.0 109.01 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.65 131.15 32.43 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.926 1.75 . . . . 0.0 113.83 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -126.07 159.01 33.97 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.423 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.8 p -85.18 -142.73 0.09 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.374 -1.454 . . . . 0.0 108.575 178.418 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.532 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 10.9 p-10 -80.86 -69.82 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.919 -1.113 . . . . 0.0 111.479 -179.401 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -60.0 -38.09 81.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.32 -0.863 . . . . 0.0 113.037 -177.126 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.2 m -58.4 -54.91 41.71 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.161 -1.587 . . . . 0.0 110.065 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.4 94.58 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.86 -39.99 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.053 -1.263 . . . . 0.0 110.438 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 66.0 t80 -75.62 -50.04 16.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.384 -0.822 . . . . 0.0 111.527 -178.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.08 -50.05 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.061 -1.024 . . . . 0.0 109.939 -178.019 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -59.96 -46.87 88.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.889 -1.132 . . . . 0.0 110.17 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -37.45 75.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.203 -0.936 . . . . 0.0 111.293 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 71.1 m80 -88.57 -34.99 17.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.7 -1.25 . . . . 0.0 110.563 -178.601 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.28 10.32 47.25 Favored Glycine 0 N--CA 1.49 2.292 0 O-C-N 120.74 -1.225 . . . . 0.0 110.67 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.99 142.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.041 -1.27 . . . . 0.0 109.891 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.6 m -60.0 148.25 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.316 -0.865 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' PRO . 15.7 tpp180 -150.37 136.29 10.55 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.8 Cg_exo -28.88 105.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 122.497 2.131 . . . . 0.0 113.373 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.3 mt -60.29 -14.1 16.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.404 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.8 m -55.92 -7.67 0.35 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.566 -0.709 . . . . 0.0 110.0 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.5 mt -71.69 -28.97 64.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.096 -1.002 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -50.46 151.8 2.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.467 -0.771 . . . . 0.0 109.562 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.61 152.49 40.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.334 -0.854 . . . . 0.0 109.676 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -86.88 -10.09 54.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.332 -0.855 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.4 132.08 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.162 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -119.65 140.15 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.486 -0.759 . . . . 0.0 109.954 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -72.71 122.41 21.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.47 -0.769 . . . . 0.0 109.185 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.74 126.93 31.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.123 -0.985 . . . . 0.0 109.918 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.34 169.11 8.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.468 -0.77 . . . . 0.0 109.328 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 . . . . . 0 C--N 1.301 -1.526 0 CA-C-O 121.992 0.901 . . . . 0.0 110.772 -178.283 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.647 0.737 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -140.97 146.82 37.83 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -80.09 110.92 15.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.785 -1.197 . . . . 0.0 108.755 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.1 p -67.47 -9.83 45.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.632 -0.667 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -99.26 -41.03 7.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 110.845 -178.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.3 p -129.23 2.3 5.17 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.801 -1.187 . . . . 0.0 111.109 -177.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.49 4.03 0.32 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.202 -0.936 . . . . 0.0 112.988 177.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.478 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 8.6 t -67.53 133.81 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.364 -1.46 . . . . 0.0 109.729 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -100.81 -2.3 32.6 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.497 -0.752 . . . . 0.0 109.654 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 m -105.12 118.78 37.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.275 -0.891 . . . . 0.0 109.916 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -165.26 145.7 5.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.066 -1.021 . . . . 0.0 110.306 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.88 -16.21 11.52 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.089 1.859 . . . . 0.0 111.674 178.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 tp -153.53 128.67 9.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.11 -0.994 . . . . 0.0 110.386 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -88.87 125.97 35.17 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.783 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -108.34 174.31 5.93 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -138.96 150.21 45.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.136 -0.978 . . . . 0.0 110.453 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.485 HD22 ' CD2' ' A' ' 40' ' ' LEU . 9.1 t-20 -88.92 142.34 30.31 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.98 -6.36 0.66 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.452 1.435 . . . . 0.0 111.014 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 26' ' ' ASN . 98.5 mt-10 -92.05 1.26 57.31 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.43 6.92 80.21 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.51 141.67 32.44 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.729 -1.453 . . . . 0.0 108.889 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.65 141.29 19.5 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.004 1.803 . . . . 0.0 112.929 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.3 mt -130.74 159.8 36.22 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.004 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -82.28 -144.32 0.06 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.629 -1.294 . . . . 0.0 108.364 178.269 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.524 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 15.7 p-10 -80.28 -67.6 0.75 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.045 . . . . 0.0 111.806 -179.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.524 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -40.01 96.37 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -176.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.6 m -55.21 -54.89 37.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.133 -1.604 . . . . 0.0 109.811 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.3 -47.27 83.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.24 -39.97 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.273 . . . . 0.0 109.992 179.278 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.67 -57.05 6.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.594 -0.691 . . . . 0.0 111.815 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' CD2' HD22 ' A' ' 26' ' ' ASN . 17.4 tp -60.01 -49.98 75.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.016 -1.052 . . . . 0.0 110.048 -176.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 2.8 ttmp? -60.94 -50.22 74.28 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.973 -1.08 . . . . 0.0 111.183 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.03 -38.83 75.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.09 -1.006 . . . . 0.0 111.313 -178.074 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -83.92 -46.44 12.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.669 -1.269 . . . . 0.0 110.832 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.12 1.74 64.32 Favored Glycine 0 N--CA 1.491 2.367 0 C-N-CA 119.549 -1.31 . . . . 0.0 110.589 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.0 m -136.22 141.54 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.199 -1.177 . . . . 0.0 109.75 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -60.41 144.23 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.705 -0.622 . . . . 0.0 110.16 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 48' ' ' PRO . 44.1 ttt180 -152.51 137.38 10.86 Favored Pre-proline 0 N--CA 1.492 1.633 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.501 ' C ' ' H ' ' A' ' 50' ' ' SER . 27.5 Cg_exo -30.37 101.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 122.616 2.211 . . . . 0.0 113.063 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.59 -9.36 1.12 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.396 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 48' ' ' PRO . 59.7 p -59.86 -10.07 3.58 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.99 -30.05 66.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.85 157.42 2.39 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 151.53 39.59 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.902 -1.124 . . . . 0.0 109.912 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -85.67 -3.8 58.98 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -113.17 128.65 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.425 HD11 HG22 ' A' ' 56' ' ' ILE . 96.7 mt -119.95 133.37 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 109.256 -179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -77.82 128.97 34.84 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.876 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -85.09 132.41 34.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.376 -0.827 . . . . 0.0 109.72 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -102.1 170.26 8.22 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.071 -1.018 . . . . 0.0 109.23 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.318 -0.864 . . . . 0.0 110.662 -178.023 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 149.92 43.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.505 -0.747 . . . . 0.0 109.299 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -77.02 110.8 11.95 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 0.0 108.921 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 p -67.49 -10.36 50.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.67 -0.644 . . . . 0.0 109.431 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -96.77 -42.54 7.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.0 110.59 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 11.8 p -128.36 4.79 5.71 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.077 -1.014 . . . . 0.0 110.938 -178.105 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 57.08 1.99 0.1 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.278 -0.889 . . . . 0.0 112.616 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.41 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -61.93 133.38 55.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.183 -1.573 . . . . 0.0 108.837 -179.309 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' OE1' ' OG1' ' A' ' 19' ' ' THR . 0.0 OUTLIER -100.87 -12.94 18.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 0.0 109.439 -179.866 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.433 ' OG1' ' OE1' ' A' ' 18' ' ' GLN . 8.5 m -101.37 121.23 41.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.041 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.8 t -163.46 144.77 7.35 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.274 -0.891 . . . . 0.0 109.856 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.13 -20.41 11.42 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.356 2.038 . . . . 0.0 112.085 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.423 HD21 HH21 ' A' ' 24' ' ' ARG . 25.1 tp -151.56 125.02 8.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.212 -0.93 . . . . 0.0 109.999 -179.174 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -86.14 127.03 34.64 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.423 HH21 HD21 ' A' ' 22' ' ' LEU . 27.0 mmt180 -107.76 173.61 6.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.407 -0.808 . . . . 0.0 109.196 -179.29 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' A' ' 25' ' ' ARG . 49.7 mtt-85 -139.91 148.67 42.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.827 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.7 t30 -91.5 140.62 25.41 Favored Pre-proline 0 N--CA 1.49 1.542 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.0 -4.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.34 1.36 . . . . 0.0 112.118 178.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -99.1 -1.82 38.59 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.069 -1.019 . . . . 0.0 109.344 179.184 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 20.36 55.67 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -96.6 111.01 55.85 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 120.933 -1.334 . . . . 0.0 109.002 179.025 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -50.24 136.34 38.68 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.632 1.554 . . . . 0.0 112.835 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.1 mt -132.6 160.51 36.42 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.0 p -83.5 -145.72 0.08 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.667 -1.271 . . . . 0.0 108.326 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.779 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -80.73 -68.93 0.64 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.107 -0.996 . . . . 0.0 112.204 -179.464 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.759 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.44 -36.7 78.83 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.762 -1.211 . . . . 0.0 113.585 -176.666 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.3 m -59.18 -56.92 15.95 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.19 -1.569 . . . . 0.0 110.672 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -45.26 96.22 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.444 -1.033 . . . . 0.0 110.258 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 85.5 t80 -73.01 -50.99 19.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 112.083 -178.557 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.31 -50.49 73.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.028 -1.045 . . . . 0.0 111.301 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.05 -47.14 87.11 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.034 -1.041 . . . . 0.0 110.036 -179.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.11 -34.65 73.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.406 -0.809 . . . . 0.0 111.054 -178.03 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.573 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 67.4 m80 -91.23 -41.07 11.18 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.297 -1.502 . . . . 0.0 110.942 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.27 9.33 57.41 Favored Glycine 0 N--CA 1.491 2.339 0 O-C-N 120.496 -1.378 . . . . 0.0 110.959 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.41 141.71 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.846 -1.385 . . . . 0.0 109.676 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.57 143.44 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.462 -0.774 . . . . 0.0 111.201 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.434 HH11 ' HG3' ' A' ' 47' ' ' ARG . 21.5 ttm-85 -153.09 136.36 9.89 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -33.92 113.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.182 1.921 . . . . 0.0 113.188 -179.318 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 51' ' ' LEU . 85.1 mt -62.0 -10.13 9.0 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -54.98 -11.2 0.6 Allowed 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 49' ' ' LEU . 94.6 mt -70.55 -30.86 67.7 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.555 ' NZ ' HD22 ' A' ' 34' ' ' ASN . 46.4 tptt -60.43 160.08 9.31 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.478 ' HG1' ' N ' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -148.17 157.53 43.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.762 -1.211 . . . . 0.0 110.041 179.021 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' N ' ' HG1' ' A' ' 53' ' ' THR . 88.9 m-20 -89.34 -6.22 56.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.406 -0.809 . . . . 0.0 109.162 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.62 127.61 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 56' ' ' ILE . 84.3 mt -122.82 135.22 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.411 -0.805 . . . . 0.0 110.393 -178.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -78.69 129.68 34.98 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.18 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.58 133.98 34.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.927 179.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -100.98 170.33 8.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 108.907 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--N 1.3 -1.555 0 CA-C-O 121.675 0.75 . . . . 0.0 110.051 -178.963 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.498 0.666 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.49 145.39 35.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.442 -0.787 . . . . 0.0 109.18 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.88 109.79 4.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.997 -1.064 . . . . 0.0 109.559 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.4 p -68.14 -9.02 43.45 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.668 -0.645 . . . . 0.0 109.31 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -96.13 -41.79 8.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.325 -0.859 . . . . 0.0 110.693 -179.293 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 15.0 p -129.35 10.92 5.81 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.803 -1.186 . . . . 0.0 111.419 -178.594 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 54.54 2.53 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.909 -1.119 . . . . 0.0 112.854 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.423 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -64.5 134.08 53.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.237 -1.539 . . . . 0.0 109.29 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -100.17 -15.06 18.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.347 -0.846 . . . . 0.0 109.551 -179.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 m -96.75 122.25 39.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.014 -1.054 . . . . 0.0 109.224 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 t -161.07 142.36 8.76 Favored Pre-proline 0 N--CA 1.487 1.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.96 -20.1 11.9 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.8 1.666 . . . . 0.0 112.268 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.585 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.3 tp -155.73 123.3 5.57 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.069 -1.019 . . . . 0.0 109.561 -179.2 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -81.19 128.68 34.04 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.794 -0.566 . . . . 0.0 111.186 -177.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.58 ' HE ' HD21 ' A' ' 34' ' ' ASN . 29.0 mmt180 -109.55 177.74 4.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.351 -0.843 . . . . 0.0 109.827 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' HG2' HH11 ' A' ' 25' ' ' ARG . 5.8 ptt-85 -141.57 158.41 43.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.365 -0.834 . . . . 0.0 109.778 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.0 t-20 -94.98 145.11 28.96 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.287 -0.883 . . . . 0.0 109.333 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.42 -11.26 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.433 1.422 . . . . 0.0 112.104 178.241 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -100.03 4.16 44.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.324 -0.86 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.67 16.83 65.06 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 121.511 -0.743 . . . . 0.0 111.54 179.571 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.47 140.56 24.12 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 120.532 -1.569 . . . . 0.0 108.463 178.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.49 137.51 20.75 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.25 1.967 . . . . 0.0 113.698 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -134.19 159.96 39.3 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -88.99 -175.9 4.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 17.2 m120 -65.03 -40.09 94.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.58 -1.325 . . . . 0.0 111.355 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.85 -53.27 28.15 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 111.452 -179.015 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.44 -51.22 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.546 -1.346 . . . . 0.0 111.588 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.27 -49.95 72.99 Favored Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.344 -178.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.05 -40.07 87.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.102 -1.234 . . . . 0.0 110.007 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.632 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.4 t80 -71.54 -47.69 53.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.556 -0.715 . . . . 0.0 111.094 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.76 -52.71 63.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.364 -0.835 . . . . 0.0 111.551 -176.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.1 -43.69 95.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.767 -1.208 . . . . 0.0 110.375 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.9 -39.3 76.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 111.375 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.632 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.7 m80 -87.14 -39.96 15.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.651 -1.281 . . . . 0.0 110.533 -178.409 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.87 9.72 63.29 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.707 178.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.26 145.4 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.923 -1.34 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -57.53 146.97 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.401 -0.812 . . . . 0.0 109.268 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG2' HH11 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -150.1 133.86 8.88 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.597 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 50' ' ' SER . 46.5 Cg_exo -31.78 98.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.151 1.901 . . . . 0.0 113.532 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.0 mt -61.14 -9.41 4.65 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.702 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 48' ' ' PRO . 36.4 m -55.98 -5.46 0.17 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' A' ' 49' ' ' LEU . 91.6 mt -77.07 -16.23 59.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 0.0 108.822 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -55.39 148.6 14.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.418 -0.802 . . . . 0.0 109.557 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.17 152.07 40.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 109.396 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.98 128.81 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.42 130.54 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.597 -0.69 . . . . 0.0 109.192 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.51 127.4 32.45 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.297 -0.877 . . . . 0.0 108.877 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.55 129.72 34.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.461 HH11 ' HG3' ' A' ' 59' ' ' ARG . 25.6 mmm-85 -101.08 167.76 10.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 -179.651 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.935 0.874 . . . . 0.0 110.904 -178.307 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.556 0.693 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m -140.75 144.28 35.42 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.94 110.15 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.0 108.461 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 p -67.14 -9.7 42.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.745 -0.597 . . . . 0.0 109.717 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -97.88 -38.99 9.21 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.199 -0.938 . . . . 0.0 110.525 -178.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 14.0 p -133.46 1.6 3.44 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.759 -1.213 . . . . 0.0 110.96 -178.446 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 62.86 2.54 1.01 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.368 -0.832 . . . . 0.0 112.813 178.084 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.408 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -66.82 134.61 52.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.281 -1.512 . . . . 0.0 110.871 -178.354 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -100.29 -11.6 20.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.543 -0.723 . . . . 0.0 109.921 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 m -98.68 118.13 34.7 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.83 -1.169 . . . . 0.0 109.731 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.63 ' HG1' HD21 ' A' ' 34' ' ' ASN . 5.8 t -164.53 145.38 6.49 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.01 -17.37 10.73 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.957 1.771 . . . . 0.0 112.317 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.7 tp -150.86 123.56 8.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.033 . . . . 0.0 110.119 -178.176 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -83.95 123.49 30.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -105.56 171.17 7.47 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.54 157.41 43.67 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.576 0.703 . . . . 0.0 109.499 -179.569 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.8 t30 -97.06 141.07 22.5 Favored Pre-proline 0 N--CA 1.49 1.559 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.65 -9.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.556 1.504 . . . . 0.0 112.06 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -98.28 6.26 47.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.744 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.23 82.9 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -89.84 141.12 28.0 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 120.737 -1.449 . . . . 0.0 108.566 179.055 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -75.49 132.15 14.49 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.43 2.086 . . . . 0.0 112.867 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.1 mt -124.55 160.93 27.25 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 -143.51 0.1 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.356 -1.465 . . . . 0.0 108.432 177.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.63 HD21 ' HG1' ' A' ' 20' ' ' THR . 4.0 p30 -80.99 -69.66 0.59 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.016 -1.052 . . . . 0.0 111.476 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.51 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -60.34 -38.29 83.29 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.616 -0.678 . . . . 0.0 112.798 -176.592 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.37 -56.59 20.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.352 -1.467 . . . . 0.0 110.156 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.97 93.33 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.44 -44.51 90.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.173 -1.192 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 53.2 t80 -70.51 -46.22 64.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.768 -0.582 . . . . 0.0 111.531 -178.802 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.5 -50.64 70.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.995 . . . . 0.0 110.512 -177.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -62.31 -46.35 89.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.859 -1.151 . . . . 0.0 110.482 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -39.86 78.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 111.082 -178.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 56.6 m80 -87.23 -41.24 13.86 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.408 -1.432 . . . . 0.0 110.599 -178.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 9.47 47.14 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.818 -1.176 . . . . 0.0 110.989 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.63 141.71 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.078 -1.248 . . . . 0.0 109.542 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.3 m -60.65 141.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.233 0.539 . . . . 0.0 110.166 -179.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 36.8 ttt180 -153.01 138.42 11.58 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.387 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.9 Cg_exo -29.97 105.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.873 2.382 . . . . 0.0 114.3 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.9 -13.3 14.9 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 p -57.98 -9.97 1.6 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.539 0.685 . . . . 0.0 109.32 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.4 mt -71.62 -22.7 61.67 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.034 -1.041 . . . . 0.0 108.307 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.6 ttpt -55.17 160.25 2.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.95 . . . . 0.0 110.595 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -144.09 147.79 34.25 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.53 0.681 . . . . 0.0 109.658 178.858 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -87.36 -7.61 57.56 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.385 -0.822 . . . . 0.0 109.345 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.2 p -108.5 128.08 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.067 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.7 mt -119.52 135.61 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.532 -0.73 . . . . 0.0 109.317 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -74.1 124.27 25.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.0 108.859 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -79.94 128.53 33.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.729 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -98.6 165.04 12.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.049 -1.032 . . . . 0.0 108.978 179.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.949 . . . . 0.0 110.656 -178.769 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -138.68 144.78 39.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.293 -0.879 . . . . 0.0 109.059 179.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.1 t -72.83 111.57 8.08 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.013 -1.054 . . . . 0.0 109.449 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.1 p -66.66 -9.23 33.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.853 -0.529 . . . . 0.0 109.623 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -99.73 -40.09 7.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.373 -0.829 . . . . 0.0 110.726 -179.15 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 14.1 p -132.79 5.43 3.94 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.734 -1.229 . . . . 0.0 111.94 -177.522 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 56.59 4.34 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.893 -1.129 . . . . 0.0 112.68 177.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.439 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -65.59 132.41 48.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.134 -1.604 . . . . 0.0 110.043 -179.091 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -98.06 -5.14 34.51 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.7 m -103.95 117.35 34.1 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.225 -0.922 . . . . 0.0 109.776 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.442 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 11.0 t -164.47 146.46 6.98 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -82.51 -15.47 8.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.844 1.696 . . . . 0.0 112.167 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.6 tp -154.7 123.45 6.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.14 -0.975 . . . . 0.0 110.59 -178.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -83.25 126.72 32.96 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.55 0.69 . . . . 0.0 109.576 179.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -108.27 178.89 4.37 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 25' ' ' ARG . 7.0 ptt-85 -142.43 150.32 40.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.272 -0.893 . . . . 0.0 109.493 179.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.9 t30 -87.94 142.06 31.93 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -45.57 -10.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.374 1.383 . . . . 0.0 112.593 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.0 mt-10 -99.95 4.04 44.72 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.957 -1.089 . . . . 0.0 108.934 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 19.37 60.66 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.399 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -95.45 110.13 49.13 Favored Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 120.777 -1.425 . . . . 0.0 108.353 178.725 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.65 135.51 27.49 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.721 1.614 . . . . 0.0 113.482 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -128.99 162.23 28.08 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 27.8 p -85.85 -145.21 0.11 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.41 -1.431 . . . . 0.0 108.483 178.143 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.544 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -80.45 -66.93 0.82 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.776 -1.203 . . . . 0.0 111.829 -178.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.544 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.53 -39.43 93.53 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -176.564 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.59 -54.88 41.91 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.12 -1.613 . . . . 0.0 110.562 -178.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.04 -42.37 98.19 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.275 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.36 -42.2 79.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.28 -1.129 . . . . 0.0 111.8 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 30.9 t80 -78.89 -46.13 19.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 111.184 -179.002 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.04 -49.99 75.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.0 109.918 -177.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.03 -42.83 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 0.0 110.6 -179.239 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.01 -33.49 72.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.207 -0.933 . . . . 0.0 111.744 -178.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.6 m80 -92.07 -30.04 16.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.661 -1.275 . . . . 0.0 110.583 -178.095 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 12.38 41.73 Favored Glycine 0 N--CA 1.492 2.43 0 O-C-N 120.671 -1.268 . . . . 0.0 111.099 178.404 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.39 168.42 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.032 -1.275 . . . . 0.0 109.626 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -54.49 149.15 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.063 -179.223 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -128.87 134.85 26.77 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.84 102.91 1.27 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.967 1.111 . . . . 0.0 109.334 178.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -58.61 -10.91 2.53 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.46 -0.775 . . . . 0.0 109.286 -178.347 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -61.56 -15.67 40.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.638 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.44 -29.94 59.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.137 -0.977 . . . . 0.0 109.419 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -53.32 155.05 2.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.857 . . . . 0.0 109.728 -179.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.06 160.1 43.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.271 -0.893 . . . . 0.0 109.454 179.179 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -86.23 -5.61 59.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 108.75 179.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.23 127.51 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.04 135.77 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.414 -0.804 . . . . 0.0 109.624 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -74.21 121.69 21.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.199 -0.938 . . . . 0.0 108.79 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.31 134.63 34.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 108.64 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 59' ' ' ARG . 5.9 mmt-85 -101.32 165.39 11.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 108.67 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.558 -0.714 . . . . 0.0 109.7 -179.014 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.1 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 m -138.16 144.84 40.93 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.7 t -72.61 109.25 6.12 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.263 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -67.84 -9.62 46.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 109.743 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.56 -40.12 8.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.349 -0.844 . . . . 0.0 111.401 -178.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -126.71 1.36 6.77 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.766 -1.209 . . . . 0.0 111.152 -178.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 61.64 2.62 0.72 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.294 -0.878 . . . . 0.0 113.106 177.314 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 t -64.88 133.23 51.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.139 -1.6 . . . . 0.0 109.437 -179.034 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -97.09 -13.75 21.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.854 . . . . 0.0 110.221 -178.519 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 m -104.13 126.27 51.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.282 -0.886 . . . . 0.0 108.956 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.6 t -164.51 145.38 6.51 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.172 -0.955 . . . . 0.0 109.83 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.63 -20.89 11.79 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.386 2.057 . . . . 0.0 112.418 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.6 tp -153.44 121.96 6.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.99 . . . . 0.0 110.243 -178.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -81.05 123.35 28.3 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -103.6 172.57 6.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 109.072 -179.238 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -132.93 147.09 52.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 -179.535 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.4 t30 -88.22 140.12 30.5 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.441 -0.787 . . . . 0.0 109.135 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -42.04 -16.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.469 1.446 . . . . 0.0 112.249 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.2 mt-10 -100.06 6.84 44.99 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.116 -0.99 . . . . 0.0 110.041 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.91 15.99 66.33 Favored Glycine 0 N--CA 1.494 2.565 0 O-C-N 121.268 -0.895 . . . . 0.0 111.872 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -92.67 114.58 62.89 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 120.526 -1.573 . . . . 0.0 109.464 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.04 135.39 24.04 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.548 2.166 . . . . 0.0 114.229 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.3 mt -133.22 158.38 43.02 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.36 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -84.14 -140.22 0.07 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.221 -1.55 . . . . 0.0 108.448 177.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 5.8 p-10 -81.44 -69.34 0.62 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.949 -1.094 . . . . 0.0 111.347 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.479 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.5 -34.72 78.39 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.88 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.0 m -57.69 -53.6 56.41 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.048 -1.657 . . . . 0.0 110.53 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -39.89 91.19 Favored Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.515 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.77 -40.18 76.22 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.046 -1.267 . . . . 0.0 111.946 -178.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 54.2 t80 -78.21 -44.92 24.38 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.831 -1.168 . . . . 0.0 110.928 -179.277 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.8 -52.93 61.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.702 -177.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.39 -45.49 93.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.849 -1.157 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.14 -33.35 74.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.339 -0.851 . . . . 0.0 111.948 -177.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.613 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 69.5 m80 -98.13 -20.22 17.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.648 -1.283 . . . . 0.0 110.077 -178.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.61 13.5 58.85 Favored Glycine 0 N--CA 1.494 2.516 0 O-C-N 120.806 -1.184 . . . . 0.0 110.934 178.159 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.17 162.23 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.325 -1.103 . . . . 0.0 109.07 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -50.53 157.89 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -107.53 133.16 20.51 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.343 -0.848 . . . . 0.0 109.23 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 50' ' ' SER . 23.0 Cg_endo -65.25 84.29 0.2 Allowed 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 120.799 1.0 . . . . 0.0 109.545 178.294 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.74 -8.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.627 -0.67 . . . . 0.0 109.49 -178.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.521 ' H ' ' C ' ' A' ' 48' ' ' PRO . 44.5 p -60.01 -15.14 20.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 108.682 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.7 mt -84.08 13.29 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.372 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -58.45 122.35 13.11 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.666 0.746 . . . . 0.0 109.265 179.588 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -145.64 145.49 30.95 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.699 0.761 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.46 -0.76 54.49 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.474 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.7 t -113.29 130.0 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.9 mt -120.03 132.29 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -68.82 124.25 23.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.218 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -86.56 132.05 34.01 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.376 -0.828 . . . . 0.0 109.527 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.452 HH11 ' HG3' ' A' ' 59' ' ' ARG . 20.6 mmm-85 -100.47 172.31 7.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.357 -0.839 . . . . 0.0 109.037 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.358 -0.839 . . . . 0.0 111.204 -177.709 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.415 0.626 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -147.57 140.26 24.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.7 t -69.74 110.04 4.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.876 -1.14 . . . . 0.0 109.644 -179.865 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.7 p -67.19 -10.22 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.699 -0.626 . . . . 0.0 109.955 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -98.88 -39.19 8.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.173 -0.954 . . . . 0.0 110.4 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 10.0 p -133.32 4.49 3.71 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.829 -1.17 . . . . 0.0 111.394 -178.162 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 56.88 5.36 0.22 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.914 -1.117 . . . . 0.0 113.003 177.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.486 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -66.67 133.16 49.66 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.137 -1.602 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' NE2' ' HG1' ' A' ' 19' ' ' THR . 4.7 pp0? -101.63 -3.27 28.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.361 -0.837 . . . . 0.0 109.305 178.753 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.411 ' HG1' ' NE2' ' A' ' 18' ' ' GLN . 39.3 m -102.64 110.92 23.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.444 -0.785 . . . . 0.0 109.503 -179.436 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.401 ' HG1' ' H ' ' A' ' 22' ' ' LEU . 2.9 t -165.08 147.82 6.94 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.133 -0.979 . . . . 0.0 109.878 179.778 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -83.53 -16.21 6.97 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.359 2.039 . . . . 0.0 112.679 179.295 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' H ' ' HG1' ' A' ' 20' ' ' THR . 24.3 tp -152.86 119.64 5.71 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.968 -1.082 . . . . 0.0 109.689 -179.226 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -82.61 130.62 35.15 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.553 -179.229 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -110.08 176.04 5.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.081 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -134.03 147.3 50.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.81 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLU . 18.9 t-20 -87.75 142.96 32.95 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.647 -0.658 . . . . 0.0 109.725 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.38 -12.56 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.998 1.798 . . . . 0.0 113.074 178.385 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' ASN . 64.4 mm-40 -98.71 9.44 43.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.841 -1.162 . . . . 0.0 109.212 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.21 9.79 86.68 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 120.335 -0.936 . . . . 0.0 110.995 178.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.42 146.06 41.21 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.573 -1.546 . . . . 0.0 107.863 178.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.79 131.85 12.62 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 121.594 1.529 . . . . 0.0 113.425 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.4 mt -122.14 161.15 23.66 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 p -84.49 -147.82 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.083 -1.636 . . . . 0.0 108.861 178.676 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 7.4 p-10 -79.89 -64.42 1.19 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.856 -1.153 . . . . 0.0 111.532 -179.083 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.37 -37.76 86.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.003 -1.061 . . . . 0.0 113.597 -177.12 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -59.2 -55.7 31.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.142 -1.598 . . . . 0.0 111.128 -178.02 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.09 96.26 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.43 -40.64 89.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -1.211 . . . . 0.0 110.25 179.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 56.6 t80 -77.74 -48.91 15.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.288 -0.882 . . . . 0.0 112.422 -178.483 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.877 -1.139 . . . . 0.0 110.721 -176.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -60.01 -48.4 81.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.903 -1.123 . . . . 0.0 110.193 -179.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.76 -35.93 79.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 0.0 111.254 -177.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 57.9 m80 -88.91 -34.0 17.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.563 -1.336 . . . . 0.0 110.546 -178.546 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.67 11.19 2.61 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.848 -1.158 . . . . 0.0 111.669 178.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.83 140.33 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 CA-C-N 119.022 1.411 . . . . 0.0 110.122 179.732 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.5 m -59.05 141.18 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.572 -0.705 . . . . 0.0 109.678 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' A' ' 47' ' ' ARG . 4.6 ttt-85 -155.73 136.65 9.08 Favored Pre-proline 0 N--CA 1.49 1.529 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 50' ' ' SER . 50.4 Cg_exo -34.13 110.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.095 1.864 . . . . 0.0 113.84 -178.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.519 ' C ' ' H ' ' A' ' 51' ' ' LEU . 85.8 mt -63.28 -9.36 11.32 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.56 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 48' ' ' PRO . 56.2 p -53.72 -8.99 0.18 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' A' ' 49' ' ' LEU . 85.4 mt -69.99 -26.74 64.22 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.783 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -50.93 147.12 5.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.629 0.728 . . . . 0.0 109.705 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.45 150.13 38.58 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.606 -0.683 . . . . 0.0 109.18 178.746 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -85.41 -8.73 58.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.443 -0.785 . . . . 0.0 109.262 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -108.2 121.35 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.4 mt -112.08 130.06 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.637 -0.664 . . . . 0.0 109.279 -179.161 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.54 122.77 24.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 109.091 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.84 132.03 34.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -0.881 . . . . 0.0 108.749 179.308 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -100.02 166.95 10.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.328 -0.858 . . . . 0.0 108.961 -179.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.546 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.557 0 O-C-N 121.515 -0.741 . . . . 0.0 109.952 -178.569 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 m -142.66 147.78 36.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.245 -0.909 . . . . 0.0 109.159 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.8 t -74.39 109.1 7.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.988 -1.07 . . . . 0.0 108.838 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 p -67.59 -9.97 47.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.643 -0.661 . . . . 0.0 109.725 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -96.3 -37.68 10.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.127 -0.983 . . . . 0.0 110.193 -179.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 10.7 p -134.42 8.43 3.66 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.74 -1.225 . . . . 0.0 112.15 -178.492 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 56.83 2.75 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.757 -1.214 . . . . 0.0 112.843 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.464 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.1 t -63.67 130.93 46.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.015 -1.678 . . . . 0.0 109.126 -179.248 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -100.04 -7.13 25.39 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -100.64 117.53 34.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.217 -0.927 . . . . 0.0 109.049 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -163.3 144.88 7.56 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.133 -0.979 . . . . 0.0 109.288 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.16 -18.43 7.38 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.087 1.858 . . . . 0.0 112.757 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.571 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.5 tp -154.72 124.68 6.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.919 -1.113 . . . . 0.0 109.876 -178.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.17 126.98 33.21 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.752 0.787 . . . . 0.0 111.346 -178.181 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.527 ' HE ' ' ND2' ' A' ' 34' ' ' ASN . 28.7 mmt180 -109.86 177.63 4.66 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.507 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -141.78 154.98 45.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.095 -1.003 . . . . 0.0 109.539 179.089 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.6 t-20 -91.65 144.39 29.42 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.29 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.216 1.277 . . . . 0.0 111.888 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.4 mt-10 -100.2 -0.04 39.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.35 -0.844 . . . . 0.0 109.646 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.59 17.18 60.62 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 121.395 -0.815 . . . . 0.0 111.658 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -94.62 112.39 57.67 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.629 -1.512 . . . . 0.0 109.276 179.123 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.67 133.86 27.03 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.718 1.612 . . . . 0.0 112.955 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -127.25 158.52 36.95 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 24.6 p -87.54 -173.08 4.18 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 176.127 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 11.1 m120 -68.67 -40.78 80.0 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.654 -1.279 . . . . 0.0 112.42 -178.588 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -50.67 55.39 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.634 -1.292 . . . . 0.0 111.003 -178.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.46 -52.72 63.37 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.669 -1.27 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.47 69.27 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.1 mt -69.9 -41.27 74.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -1.223 . . . . 0.0 110.842 -179.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t80 -74.32 -47.98 31.21 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 111.227 -179.509 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.97 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.002 -1.061 . . . . 0.0 110.705 -177.584 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.98 -43.21 95.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.096 -1.003 . . . . 0.0 110.373 -179.499 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.56 -38.16 77.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.481 -0.762 . . . . 0.0 112.084 -178.499 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.561 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 29.8 m80 -93.06 -31.3 14.89 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.662 -1.274 . . . . 0.0 110.582 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 22.37 71.34 Favored Glycine 0 N--CA 1.493 2.491 0 O-C-N 120.663 -1.273 . . . . 0.0 111.492 178.316 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' ARG . 33.4 m -131.57 159.93 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.036 -1.273 . . . . 0.0 110.523 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 m -53.02 90.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-O 122.258 1.028 . . . . 0.0 109.642 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' VAL . 7.5 ttt-85 -51.05 110.27 1.7 Allowed Pre-proline 0 C--N 1.292 -1.909 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.383 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.18 98.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.31 1.34 . . . . 0.0 110.503 178.023 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.78 -10.57 3.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.341 -0.849 . . . . 0.0 109.67 -179.058 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 t -60.57 -14.26 19.03 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -79.57 -9.45 59.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 0.0 109.865 -178.542 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD2' ' H ' ' A' ' 53' ' ' THR . 22.0 tptp -51.99 139.36 22.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.087 -1.008 . . . . 0.0 110.487 -179.458 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.406 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -147.08 154.39 41.1 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.474 0.654 . . . . 0.0 109.732 178.814 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -90.17 -6.87 54.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 110.41 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.14 125.94 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.099 -1.001 . . . . 0.0 109.664 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -120.47 135.8 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.551 -0.718 . . . . 0.0 109.487 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HZ3' ' NH1' ' A' ' 59' ' ' ARG . 25.2 tptp -76.25 125.15 28.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.021 -1.05 . . . . 0.0 109.91 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -88.74 136.38 33.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' NH1' ' HZ3' ' A' ' 57' ' ' LYS . 19.3 mmm180 -99.58 166.81 10.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.096 -1.003 . . . . 0.0 109.377 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 . . . . . 0 C--N 1.302 -1.469 0 O-C-N 121.536 -0.728 . . . . 0.0 109.931 -179.145 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.1 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.417 0.627 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -139.31 142.81 37.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -0.788 . . . . 0.0 109.43 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.3 t -70.15 110.05 4.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.158 -0.963 . . . . 0.0 109.047 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -66.46 -9.09 30.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.608 -0.682 . . . . 0.0 109.502 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -100.01 -39.79 7.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.398 -0.814 . . . . 0.0 111.157 -179.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 9.4 p -132.04 4.45 4.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.84 -1.163 . . . . 0.0 111.578 -177.735 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 55.58 3.45 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.942 -1.099 . . . . 0.0 112.641 177.676 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.463 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 9.0 t -62.52 130.42 45.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.279 -1.513 . . . . 0.0 109.349 -179.145 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -98.36 -12.63 21.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.444 -0.785 . . . . 0.0 110.126 -178.759 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -99.56 118.46 36.17 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.824 -1.173 . . . . 0.0 109.222 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -164.05 143.18 6.16 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.099 -1.001 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.72 -17.43 18.03 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.175 1.917 . . . . 0.0 112.423 178.766 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 tp -155.92 121.93 5.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.983 -1.073 . . . . 0.0 110.8 -178.59 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -81.1 127.63 32.85 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -109.9 179.58 4.08 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.416 -0.803 . . . . 0.0 109.374 -179.335 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -136.67 151.67 49.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.534 -0.729 . . . . 0.0 110.014 -179.577 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 17.0 t-20 -88.63 141.28 30.07 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -44.6 -12.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.199 1.266 . . . . 0.0 112.027 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -100.01 6.42 45.07 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.266 -0.896 . . . . 0.0 109.587 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.2 71.93 Favored Glycine 0 N--CA 1.491 2.313 0 O-C-N 121.369 -0.832 . . . . 0.0 111.475 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -91.36 114.75 62.75 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.69 -1.477 . . . . 0.0 108.599 179.063 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.28 133.64 24.87 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.716 1.611 . . . . 0.0 113.18 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.9 mt -128.36 158.62 37.74 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.144 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 29.7 p -86.11 -132.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.382 -1.449 . . . . 0.0 109.107 178.582 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.556 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 2.3 p-10 -82.53 -85.09 0.11 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 112.21 -178.722 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.12 65.52 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.617 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 35.3 m -57.53 -53.01 63.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.041 -1.662 . . . . 0.0 109.895 -178.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -43.45 66.87 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.143 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.42 -40.04 92.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.867 -1.373 . . . . 0.0 111.04 -179.157 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.64 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 t80 -78.22 -45.34 23.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.064 -1.022 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.41 -52.66 62.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.046 -1.034 . . . . 0.0 110.448 -177.535 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -61.44 -41.88 97.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.87 -1.144 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.81 -29.74 67.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.136 -0.978 . . . . 0.0 110.313 -177.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.64 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 57.1 m80 -92.03 -33.12 14.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.745 -1.222 . . . . 0.0 110.978 -178.679 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.34 14.27 63.97 Favored Glycine 0 N--CA 1.495 2.568 0 O-C-N 120.576 -1.327 . . . . 0.0 111.733 178.038 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.66 169.63 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.838 -1.389 . . . . 0.0 109.075 179.532 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -48.68 147.25 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.74 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.617 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -117.74 125.61 27.93 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.684 -0.635 . . . . 0.0 109.36 -179.761 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.44 110.27 3.07 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.138 1.226 . . . . 0.0 110.114 178.152 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.08 -11.7 6.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -59.76 -25.89 65.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.784 -179.692 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.21 -30.39 62.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.07 -1.019 . . . . 0.0 110.667 -178.515 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -57.27 155.8 8.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 109.888 -179.07 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.23 158.6 43.89 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.419 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.69 -2.96 58.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 108.666 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.2 129.3 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.723 -0.611 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.7 139.83 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.723 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -83.85 132.2 34.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.079 -1.013 . . . . 0.0 109.071 179.565 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -84.4 135.49 34.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.468 -0.77 . . . . 0.0 109.635 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.471 HH11 ' HG2' ' A' ' 59' ' ' ARG . 6.2 mmt-85 -99.49 166.38 11.19 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.169 -0.957 . . . . 0.0 108.667 179.502 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 C--N 1.3 -1.55 0 O-C-N 121.493 -0.754 . . . . 0.0 109.788 -179.347 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.265 0.555 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.2 m -146.19 149.99 35.0 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.347 -0.846 . . . . 0.0 109.935 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.06 111.26 11.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.094 -1.004 . . . . 0.0 109.257 179.492 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 p -68.63 -9.39 49.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.714 . . . . 0.0 109.986 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -95.93 -41.57 8.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 0.0 110.702 -179.049 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 16.0 p -127.33 4.49 6.31 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.968 -1.083 . . . . 0.0 111.23 -177.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 57.4 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.159 -0.963 . . . . 0.0 112.149 178.18 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.477 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 4.8 t -66.14 135.88 55.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.477 -1.39 . . . . 0.0 109.666 -179.386 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.524 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -103.46 -10.06 18.86 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.345 -0.847 . . . . 0.0 109.904 -179.758 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.8 m -100.99 121.2 41.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.221 -0.924 . . . . 0.0 108.771 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.473 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 5.3 t -163.54 145.03 7.38 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.086 -1.009 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.98 -21.94 10.47 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.285 1.99 . . . . 0.0 112.426 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.405 HD21 HH21 ' A' ' 24' ' ' ARG . 17.7 tp -153.52 121.27 5.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.019 -1.051 . . . . 0.0 110.149 -178.666 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -82.63 128.16 34.07 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.719 -179.481 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.405 HH21 HD21 ' A' ' 22' ' ' LEU . 26.5 mmt180 -106.25 177.28 4.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.375 -0.828 . . . . 0.0 108.855 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -136.09 148.09 48.12 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.319 -0.863 . . . . 0.0 110.111 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.511 ' C ' ' H ' ' A' ' 28' ' ' GLU . 15.8 t-20 -89.07 142.63 30.3 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.422 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -4.77 0.15 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 CA-C-N 119.976 1.027 . . . . 0.0 110.916 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -98.3 2.25 47.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.368 -0.832 . . . . 0.0 109.203 179.493 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.24 9.73 75.87 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 121.297 -0.877 . . . . 0.0 111.366 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -89.14 151.09 46.3 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 120.732 -1.451 . . . . 0.0 108.949 179.093 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -83.14 133.54 6.55 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.12 1.88 . . . . 0.0 112.944 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.0 mt -128.55 160.03 33.63 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.713 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.48 -168.32 2.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.646 -1.284 . . . . 0.0 107.678 177.532 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.693 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -72.18 -38.97 68.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.641 -1.287 . . . . 0.0 111.232 -179.63 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.693 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -69.9 -52.38 25.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.556 -1.34 . . . . 0.0 111.866 -179.077 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.51 -53.24 58.96 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.581 -1.324 . . . . 0.0 110.684 -178.55 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.98 -47.43 80.09 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.57 -40.72 76.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.157 -1.202 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 56.0 t80 -78.77 -46.7 18.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.207 -0.933 . . . . 0.0 111.878 -178.633 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.73 -50.06 73.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.037 -1.04 . . . . 0.0 110.574 -177.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -60.01 -44.4 94.61 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.923 -1.111 . . . . 0.0 110.468 -179.392 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.08 -32.68 70.87 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.211 -0.931 . . . . 0.0 111.354 -177.863 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.2 m80 -91.27 -32.32 15.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.63 -1.293 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.67 14.32 67.18 Favored Glycine 0 N--CA 1.493 2.493 0 O-C-N 120.564 -1.335 . . . . 0.0 111.308 178.251 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 m -139.7 171.78 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.004 -1.291 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -47.03 148.71 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 109.648 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -111.26 130.09 23.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.755 -0.59 . . . . 0.0 109.635 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -70.18 93.01 0.55 Allowed 'Trans proline' 0 C--N 1.315 -1.196 0 C-N-CA 120.961 1.107 . . . . 0.0 110.338 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.0 mt -59.39 -11.98 5.23 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.136 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 t -60.11 -20.2 57.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.607 -0.683 . . . . 0.0 109.484 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -79.83 -17.19 53.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.133 -0.979 . . . . 0.0 109.327 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -53.9 144.56 18.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 0.0 109.078 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.88 155.33 41.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.864 . . . . 0.0 109.242 178.91 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.88 -10.42 57.15 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.3 129.06 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.494 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -119.07 130.81 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.524 -0.735 . . . . 0.0 109.917 -179.326 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -71.52 123.58 22.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.168 -0.957 . . . . 0.0 108.554 179.667 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -90.57 138.25 31.71 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.839 179.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 59' ' ' ARG . 35.8 mtt-85 -100.76 170.69 8.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 109.317 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.329 -0.857 . . . . 0.0 110.927 -178.156 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.876 0.846 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 m -147.15 133.67 19.77 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.554 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.13 108.94 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.617 -1.302 . . . . 0.0 109.472 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.2 p -68.14 -8.8 41.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.478 -0.764 . . . . 0.0 109.39 179.472 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.527 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.1 m120 -96.16 -40.29 9.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.286 -0.884 . . . . 0.0 110.852 -179.07 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.5 p -133.49 11.68 4.11 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.704 -1.247 . . . . 0.0 111.354 -178.483 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 54.22 1.84 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.887 -1.133 . . . . 0.0 112.89 177.8 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.492 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.6 t -62.46 131.37 48.94 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.073 -1.642 . . . . 0.0 109.61 -178.814 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -102.18 -11.25 18.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.453 -0.779 . . . . 0.0 109.829 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -104.75 123.3 47.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.402 -0.811 . . . . 0.0 109.25 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.38 149.71 8.82 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.071 -1.018 . . . . 0.0 109.722 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.37 -21.79 10.05 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.28 1.987 . . . . 0.0 112.397 179.2 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.8 tp -152.28 120.26 6.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -178.34 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.47 128.53 33.98 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -103.98 170.89 7.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.51 -0.744 . . . . 0.0 109.156 -178.857 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -129.95 146.99 51.66 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.322 -0.862 . . . . 0.0 109.226 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.499 HD21 ' H ' ' A' ' 28' ' ' GLU . 2.2 t30 -85.72 139.94 35.5 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 0.0 109.087 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.71 -15.81 0.1 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.576 1.517 . . . . 0.0 112.209 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.499 ' H ' HD21 ' A' ' 26' ' ' ASN . 47.2 mt-10 -100.28 9.99 41.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 -179.46 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 12.89 74.33 Favored Glycine 0 N--CA 1.493 2.475 0 O-C-N 121.263 -0.898 . . . . 0.0 111.596 178.895 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -92.65 140.3 23.82 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 120.544 -1.562 . . . . 0.0 108.652 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.19 140.48 30.95 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.157 1.905 . . . . 0.0 113.904 -179.362 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.1 mt -135.21 159.96 39.89 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 31.2 p -87.61 -135.45 0.09 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.254 -1.529 . . . . 0.0 109.109 178.462 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.654 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.4 p-10 -83.73 -76.93 0.27 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.312 -0.867 . . . . 0.0 111.821 -179.249 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.654 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.72 -30.42 71.4 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.215 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.2 m -58.71 -57.95 10.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 119.868 -1.77 . . . . 0.0 110.492 -178.43 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.7 -41.43 97.47 Favored Glycine 0 N--CA 1.492 2.398 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.189 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.7 mt -69.5 -41.12 76.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.992 -1.299 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CZ ' ' CD2' ' A' ' 43' ' ' HIS . 30.0 t80 -80.1 -45.11 18.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 110.9 -179.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.59 -53.51 56.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.385 -0.822 . . . . 0.0 110.152 -177.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.02 -46.6 88.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.063 -1.023 . . . . 0.0 110.811 -179.563 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.95 -33.25 71.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.102 -0.999 . . . . 0.0 111.076 -178.305 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 67.2 m80 -89.76 -29.94 18.35 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.809 -1.182 . . . . 0.0 110.861 -178.21 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.28 13.61 73.64 Favored Glycine 0 N--CA 1.491 2.366 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.566 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.54 143.5 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.992 -1.299 . . . . 0.0 109.573 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.55 117.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.837 . . . . 0.0 109.897 -179.241 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -70.07 137.13 87.07 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.507 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -55.92 106.17 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 N-CA-C 109.028 -1.182 . . . . 0.0 109.028 178.214 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.1 mt -58.53 -9.8 1.85 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.517 -0.74 . . . . 0.0 109.594 -178.584 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.7 m -61.94 -14.15 31.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.231 -0.918 . . . . 0.0 110.007 179.827 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.71 -9.12 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 109.27 -179.506 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -51.26 137.55 22.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.051 -1.031 . . . . 0.0 110.154 -178.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.405 ' HG1' ' N ' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -145.23 149.96 35.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.22 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' HG1' ' A' ' 53' ' ' THR . 96.6 m-20 -87.62 -8.59 56.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.491 -0.756 . . . . 0.0 109.643 -179.768 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.46 129.19 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.466 -0.771 . . . . 0.0 109.198 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 56' ' ' ILE . 96.5 mt -117.93 137.17 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.51 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -71.27 121.45 18.46 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -84.34 130.31 34.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.247 -0.908 . . . . 0.0 109.482 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HG3' HH11 ' A' ' 59' ' ' ARG . 27.1 mmm-85 -96.57 167.29 11.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.947 -1.096 . . . . 0.0 109.07 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 p30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.921 -178.522 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 m . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.436 0.636 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.2 m -140.22 137.65 34.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.453 -0.779 . . . . 0.0 109.528 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -67.4 110.76 3.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 109.569 179.73 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.9 p -69.04 -9.52 52.94 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.745 -0.597 . . . . 0.0 109.701 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -94.86 -42.42 8.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.226 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 14.2 p -130.36 4.73 4.75 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.964 -1.085 . . . . 0.0 111.236 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 57.93 3.98 0.26 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.986 . . . . 0.0 112.399 177.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.497 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -64.67 132.42 49.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.165 -1.585 . . . . 0.0 110.111 -178.669 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -99.51 -9.9 22.76 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.42 -0.8 . . . . 0.0 109.449 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.6 m -100.88 118.51 37.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.202 -0.936 . . . . 0.0 108.978 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.472 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 8.9 t -163.11 141.33 6.32 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 110.07 -179.609 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.99 -20.64 19.19 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.054 1.836 . . . . 0.0 112.554 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -154.92 122.42 5.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.841 -1.162 . . . . 0.0 109.978 -178.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.12 128.67 33.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.549 -0.719 . . . . 0.0 109.126 -179.465 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -109.12 176.8 4.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.611 -0.681 . . . . 0.0 109.75 -178.549 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.59 152.35 49.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.075 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.9 t-20 -89.72 142.33 29.14 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.588 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -45.24 -10.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.33 1.353 . . . . 0.0 111.547 178.091 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.9 mt-10 -98.43 6.03 47.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.307 -0.871 . . . . 0.0 109.786 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.15 80.85 Favored Glycine 0 N--CA 1.492 2.388 0 O-C-N 121.267 -0.896 . . . . 0.0 111.174 179.652 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -87.13 145.23 37.64 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 120.673 -1.486 . . . . 0.0 108.386 178.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.08 132.51 9.46 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.093 1.862 . . . . 0.0 112.683 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.3 mt -128.14 160.68 31.27 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.101 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.6 p -82.97 -143.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.34 -1.475 . . . . 0.0 108.531 178.577 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.4 p-10 -80.75 -69.87 0.57 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.059 -1.025 . . . . 0.0 111.742 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.483 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.71 -36.1 81.86 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.797 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.5 m -57.65 -56.29 23.78 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 119.93 -1.731 . . . . 0.0 110.341 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 -44.25 97.11 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.74 -40.22 84.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -1.176 . . . . 0.0 109.861 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 91.0 t80 -74.57 -52.19 12.5 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.849 -0.532 . . . . 0.0 111.562 -178.868 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.43 -50.27 74.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.959 -1.088 . . . . 0.0 109.927 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.93 -47.88 83.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.006 -1.059 . . . . 0.0 110.811 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.1 -33.59 73.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 111.324 -177.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 65.3 m80 -88.95 -32.06 17.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.626 -1.296 . . . . 0.0 111.021 -178.511 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.72 10.55 8.48 Favored Glycine 0 N--CA 1.495 2.573 0 O-C-N 120.695 -1.253 . . . . 0.0 111.406 178.486 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.02 140.67 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.904 -1.351 . . . . 0.0 109.963 179.528 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -59.81 138.91 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.615 -0.678 . . . . 0.0 109.689 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.488 ' CG ' HH11 ' A' ' 47' ' ' ARG . 1.1 ttt-85 -153.5 137.01 10.26 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 108.503 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 16.1 Cg_exo -30.64 111.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 122.757 2.304 . . . . 0.0 113.667 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.89 -8.95 3.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 48' ' ' PRO . 26.5 p -59.38 -11.06 3.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.402 -0.812 . . . . 0.0 109.563 -179.448 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.2 mt -70.57 -30.08 66.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 0.0 108.584 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.51 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 8.9 tmtm? -58.48 158.47 7.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 109.62 179.814 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.51 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -142.29 147.48 36.47 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.089 -1.007 . . . . 0.0 110.04 178.872 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -89.58 -4.16 57.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.539 -0.726 . . . . 0.0 109.605 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.419 ' H ' ' HG1' ' A' ' 53' ' ' THR . 57.5 t -110.02 121.65 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 179.916 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -114.88 130.02 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -81.73 137.78 35.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.225 -0.922 . . . . 0.0 108.634 179.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.85 128.79 34.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.779 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -101.45 170.87 7.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.29 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.961 0.886 . . . . 0.0 111.283 -177.163 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.403 0.621 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -141.68 147.14 37.02 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.333 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.0 t -72.84 110.0 6.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.024 -1.048 . . . . 0.0 108.398 179.442 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 p -67.9 -9.33 44.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 110.098 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.516 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.2 m120 -98.15 -40.13 8.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.824 . . . . 0.0 110.996 -179.434 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.1 p -129.1 4.81 5.3 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.787 -1.196 . . . . 0.0 111.522 -177.727 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 57.78 4.27 0.26 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.209 -0.932 . . . . 0.0 112.579 177.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.477 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -65.82 128.14 34.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.285 -1.51 . . . . 0.0 109.638 -178.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -98.27 -15.35 19.84 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.51 -0.744 . . . . 0.0 109.369 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -100.52 122.48 43.29 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.225 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -164.8 149.47 8.15 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.167 -0.958 . . . . 0.0 109.372 -179.553 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.47 -21.25 10.34 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.993 1.795 . . . . 0.0 112.828 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD21 ' NH2' ' A' ' 24' ' ' ARG . 20.4 tp -155.96 125.69 6.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.98 -1.075 . . . . 0.0 110.063 -179.261 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -84.79 129.62 34.79 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.647 0.737 . . . . 0.0 109.679 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' NH2' HD21 ' A' ' 22' ' ' LEU . 28.8 mmt180 -109.58 176.92 4.9 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.898 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -140.78 148.2 40.27 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.888 -179.764 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.558 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.1 t30 -87.12 142.67 33.9 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.405 -0.809 . . . . 0.0 108.938 179.852 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.27 -8.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.472 1.448 . . . . 0.0 112.265 178.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.4 mt-10 -92.66 4.99 52.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.221 -0.924 . . . . 0.0 108.82 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.2 85.82 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.05 146.35 38.28 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.331 -1.1 . . . . 0.0 108.708 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.34 138.85 14.28 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.511 1.474 . . . . 0.0 114.084 -178.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -131.74 160.05 36.65 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.9 p -83.92 -143.68 0.08 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.24 -1.537 . . . . 0.0 108.981 178.343 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.576 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 35.4 p-10 -80.2 -69.16 0.61 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 0.0 110.983 -179.518 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.576 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.35 -39.58 91.11 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.514 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.8 m -56.0 -54.38 45.54 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 119.923 -1.736 . . . . 0.0 110.053 -178.383 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.31 -43.66 98.76 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.523 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.0 -39.39 83.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.023 -1.281 . . . . 0.0 109.984 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 47.4 t80 -78.94 -49.87 12.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.352 -0.843 . . . . 0.0 111.366 -178.624 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.81 -49.98 75.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.219 -0.926 . . . . 0.0 110.451 -177.773 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -59.82 -49.58 77.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.088 -1.007 . . . . 0.0 110.295 -179.296 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.97 -34.1 72.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.106 -0.996 . . . . 0.0 111.435 -178.762 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.6 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -87.84 -37.05 16.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.439 -1.413 . . . . 0.0 110.037 -178.357 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.86 10.18 12.81 Favored Glycine 0 N--CA 1.488 2.152 0 C-N-CA 120.052 -1.07 . . . . 0.0 111.098 178.294 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.29 141.9 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.93 -1.335 . . . . 0.0 110.084 179.449 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.69 144.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.517 0.675 . . . . 0.0 110.139 -179.56 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.8 tpp180 -154.7 133.25 6.99 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -179.824 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 33.2 Cg_exo -33.88 105.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.334 2.023 . . . . 0.0 112.444 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.25 -11.59 10.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.5 p -59.33 -10.01 2.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.471 -0.768 . . . . 0.0 110.059 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.8 -39.62 73.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.092 -1.005 . . . . 0.0 108.691 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' CG ' ' H ' ' A' ' 53' ' ' THR . 40.3 tttp -54.16 170.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.214 -0.928 . . . . 0.0 109.338 179.854 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.424 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 1.1 t -147.49 157.3 43.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.132 -0.98 . . . . 0.0 110.22 179.04 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -87.11 -0.84 57.3 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.715 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.424 ' H ' ' HG1' ' A' ' 53' ' ' THR . 58.5 t -113.34 129.95 68.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.311 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -124.41 134.88 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 109.537 -179.022 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -83.76 139.52 32.67 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.082 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -83.51 130.84 35.02 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.932 -1.105 . . . . 0.0 109.577 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 59' ' ' ARG . 19.0 mmm-85 -98.07 166.56 11.37 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.813 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.183 -0.948 . . . . 0.0 111.593 -178.134 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.604 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 0 C3'-C2'-C1' 106.828 2.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.991 1 O4'-C1'-N19 111.11 4.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 0 C3'-C2'-C1' 106.886 2.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.581 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.319 1 O4'-C1'-N19 111.748 4.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.031 1 O4'-C1'-N19 111.29 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.52 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 C3'-C2'-C1' 107.139 3.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 111.078 4.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.552 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.349 1 O4'-C1'-N19 111.357 4.447 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 1 O4'-C1'-N19 111.309 4.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.115 1 O4'-C1'-N19 111.427 4.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.05 4.062 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.447 ' OP2' ' CD2' ' A' ' 39' ' ' PHE . . . . . . . . 0 C5'--C4' 1.528 2.155 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.581 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.176 1 O4'-C1'-N19 111.218 4.273 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.752 1 O4'-C1'-N19 111.654 4.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.782 3.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.35 1 O4'-C1'-N19 111.72 4.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.674 3.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.668 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.689 3.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' O ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -74.24 -11.84 60.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.087 -1.008 . . . . 0.0 109.694 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 5' ' ' GLU . 25.6 t-20 -60.56 -50.13 74.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.964 -1.085 . . . . 0.0 109.637 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.12 -6.41 0.1 OUTLIER Glycine 0 N--CA 1.493 2.461 0 O-C-N 121.167 -0.958 . . . . 0.0 111.209 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 3' ' ' ASN . 9.3 tt0 -70.01 -148.02 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.597 -1.531 . . . . 0.0 109.729 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -66.03 136.92 56.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.455 -0.778 . . . . 0.0 110.4 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -142.47 -26.32 0.63 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.36 -0.837 . . . . 0.0 109.814 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.06 102.23 0.83 Allowed Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -77.44 102.17 1.57 Allowed 'Trans proline' 0 N--CA 1.49 1.315 0 CA-C-N 119.543 1.671 . . . . 0.0 111.508 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -78.67 144.65 35.15 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m -127.92 131.32 49.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.25 -0.906 . . . . 0.0 110.263 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 12.0 t -80.26 113.47 18.46 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -66.59 -11.55 53.84 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.333 -0.855 . . . . 0.0 111.021 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -96.83 -39.58 9.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.971 -1.081 . . . . 0.0 110.111 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.6 p -132.23 0.02 3.72 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.877 -1.14 . . . . 0.0 111.565 -177.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 60.02 6.15 0.89 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.94 -1.1 . . . . 0.0 112.212 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.495 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 9.5 t -66.11 133.36 50.57 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.22 -1.55 . . . . 0.0 109.69 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -102.6 -4.91 24.5 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.7 m -103.01 113.62 27.25 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.614 ' CB ' HD21 ' A' ' 34' ' ' ASN . 1.8 t -163.73 146.42 7.78 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.824 . . . . 0.0 109.412 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -79.31 -18.84 10.79 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.413 2.076 . . . . 0.0 111.843 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.5 tp -152.94 125.14 8.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -83.67 127.69 33.96 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.276 0.56 . . . . 0.0 109.87 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -109.27 171.62 7.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.562 -0.712 . . . . 0.0 109.56 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.98 153.99 47.03 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.276 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.3 t-20 -93.61 139.29 22.77 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.293 -0.88 . . . . 0.0 109.105 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.22 -7.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.683 1.588 . . . . 0.0 112.212 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 40.2 mt-10 -97.89 3.35 49.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.18 14.59 68.71 Favored Glycine 0 N--CA 1.495 2.574 0 O-C-N 121.46 -0.775 . . . . 0.0 111.866 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -93.79 137.01 23.32 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.733 -1.451 . . . . 0.0 108.923 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.2 135.53 20.84 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.808 1.672 . . . . 0.0 112.389 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.5 mt -130.91 160.7 33.71 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.4 p -86.9 -138.87 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.511 -1.368 . . . . 0.0 109.247 178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.614 HD21 ' CB ' ' A' ' 20' ' ' THR . 2.0 p30 -82.81 -71.66 0.48 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.744 -1.223 . . . . 0.0 111.645 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.528 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.81 -33.73 76.32 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.6 m -57.03 -55.92 28.4 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.105 -1.622 . . . . 0.0 110.293 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.44 95.06 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.34 -43.98 80.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -1.17 . . . . 0.0 111.308 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 48.3 t80 -78.93 -49.56 12.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 112.073 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.3 -49.4 77.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.98 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -59.93 -41.95 92.88 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.932 -1.105 . . . . 0.0 110.594 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.35 -30.06 66.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 55.9 m80 -92.46 -29.86 16.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.816 -1.177 . . . . 0.0 110.703 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 12.46 38.23 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.96 142.09 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 120.947 -1.325 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 m -62.63 145.19 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.545 -0.722 . . . . 0.0 110.186 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.579 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -145.5 137.18 12.95 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 50' ' ' SER . 56.0 Cg_exo -34.52 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.289 1.993 . . . . 0.0 113.664 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LYS . 95.1 mt -63.92 -3.27 2.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 48' ' ' PRO . 8.2 p -52.56 -12.31 0.27 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 49' ' ' LEU . 88.4 mt -77.74 3.18 14.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' LEU . 26.1 tptp -58.0 128.17 35.75 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.682 0.753 . . . . 0.0 109.629 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.633 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -144.61 142.92 30.5 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.804 0.812 . . . . 0.0 109.711 178.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.459 ' N ' ' HG1' ' A' ' 53' ' ' THR . 94.0 m-20 -92.65 -3.71 54.5 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.633 ' H ' ' HG1' ' A' ' 53' ' ' THR . 57.7 t -108.61 125.15 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.83 . . . . 0.0 109.275 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -72.62 127.68 33.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.942 . . . . 0.0 109.164 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -88.13 134.17 33.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.199 -0.938 . . . . 0.0 109.85 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -98.93 172.1 7.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.281 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -65.81 -179.21 0.67 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.21 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -139.96 177.06 8.24 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.699 0.761 . . . . 0.0 110.192 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -81.24 175.09 10.91 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.668 -0.645 . . . . 0.0 109.305 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 t -53.53 -46.33 70.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.835 . . . . 0.0 110.098 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.38 126.04 6.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.088 -1.008 . . . . 0.0 110.501 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -111.8 112.33 23.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.339 -0.85 . . . . 0.0 109.784 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.197 -0.94 . . . . 0.0 109.748 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.423 " O5'" ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 C3'-C2'-C1' 106.933 3.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.5 3.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.064 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.489 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O4'-C1'-N19 110.831 3.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.203 1 O4'-C1'-N19 111.421 4.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 O4'-C1'-N19 110.777 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.226 0 O4'-C1'-N19 110.687 3.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.294 0 C3'-C2'-C1' 106.916 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 O4'-C1'-N19 110.642 3.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.506 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.491 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.602 " O5'" ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.982 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.935 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.815 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.45 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.071 1 O4'-C1'-N19 111.335 4.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 1 O4'-C1'-N19 111.224 4.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -60.05 -39.49 86.15 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -78.61 104.24 9.09 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.355 -0.841 . . . . 0.0 109.072 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.03 30.77 2.78 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 108.219 -1.953 . . . . 0.0 108.219 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -83.54 25.04 0.79 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.584 -0.95 . . . . 0.0 109.495 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -58.94 -49.96 75.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 108.537 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -137.39 -51.77 0.65 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.3 -172.42 27.52 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -39.94 160.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.77 2.313 . . . . 0.0 112.421 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m -60.11 120.63 10.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.212 -0.93 . . . . 0.0 109.341 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -140.28 150.65 44.31 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.418 -0.801 . . . . 0.0 109.524 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -73.4 108.16 6.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.11 -0.994 . . . . 0.0 109.07 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.4 p -66.49 -9.98 39.94 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.521 -0.737 . . . . 0.0 109.176 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -96.5 -40.02 9.27 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.28 -0.888 . . . . 0.0 110.81 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.1 p -133.7 5.74 3.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.859 -1.151 . . . . 0.0 111.217 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 55.7 3.89 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 112.24 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.483 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -62.48 131.39 49.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.096 -1.628 . . . . 0.0 109.272 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -98.66 -7.85 27.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.441 -0.787 . . . . 0.0 109.46 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -101.59 116.12 32.04 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.995 -1.066 . . . . 0.0 109.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -162.61 144.41 8.08 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 120.973 -1.08 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.3 -18.67 10.91 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.177 1.918 . . . . 0.0 111.832 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 tp -154.31 121.77 5.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.167 -0.958 . . . . 0.0 110.302 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -81.04 126.5 31.5 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 28.4 mmt180 -109.33 175.22 5.53 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -141.26 157.73 44.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.274 -0.891 . . . . 0.0 109.591 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.8 t30 -91.21 142.7 27.43 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -45.99 -7.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.093 1.195 . . . . 0.0 111.821 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -100.33 2.82 42.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -0.957 . . . . 0.0 109.977 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.81 20.97 57.06 Favored Glycine 0 N--CA 1.494 2.508 0 O-C-N 121.152 -0.967 . . . . 0.0 111.42 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -96.5 112.24 59.45 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.773 -1.428 . . . . 0.0 108.837 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -49.55 133.65 32.09 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.961 1.774 . . . . 0.0 113.634 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.0 mt -130.66 159.99 35.58 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.5 p -86.16 -137.81 0.08 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.31 -1.494 . . . . 0.0 108.598 178.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 3.5 p30 -83.21 -70.66 0.54 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.623 -1.298 . . . . 0.0 111.77 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -64.86 -32.65 74.45 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -56.81 -52.53 64.7 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.106 -1.621 . . . . 0.0 110.207 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.98 -44.39 61.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.083 -1.056 . . . . 0.0 110.793 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.72 -41.26 88.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.388 . . . . 0.0 110.258 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.657 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -71.72 -51.8 21.0 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.966 -1.084 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.53 -49.48 76.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.108 -0.995 . . . . 0.0 109.212 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.6 -47.81 84.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 109.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.47 -33.92 71.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.325 -0.859 . . . . 0.0 112.128 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.657 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 67.1 m80 -93.76 -31.37 14.43 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.63 -1.294 . . . . 0.0 110.824 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.11 48.29 74.98 Favored Glycine 0 N--CA 1.494 2.546 0 O-C-N 120.823 -1.173 . . . . 0.0 110.945 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' VAL . 15.5 m -140.97 157.31 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.018 -1.284 . . . . 0.0 110.203 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' VAL . 13.0 m -37.4 119.22 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-O 122.652 1.215 . . . . 0.0 110.841 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -41.52 102.52 0.27 Allowed Pre-proline 0 N--CA 1.492 1.638 0 CA-C-N 114.242 -1.345 . . . . 0.0 113.561 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -94.11 83.47 0.15 Allowed 'Trans proline' 0 N--CA 1.488 1.152 0 C-N-CA 122.927 2.418 . . . . 0.0 110.383 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.41 -23.17 67.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.85 . . . . 0.0 110.685 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.8 p -53.28 -29.98 36.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.077 -1.014 . . . . 0.0 111.132 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.45 -21.36 53.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.663 -1.273 . . . . 0.0 109.715 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HD2' ' H ' ' A' ' 53' ' ' THR . 20.5 tptp -59.31 156.89 11.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.982 -1.074 . . . . 0.0 109.617 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.413 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -142.0 149.71 40.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.264 -0.897 . . . . 0.0 108.974 178.178 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.5 -5.32 57.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.612 -0.68 . . . . 0.0 109.411 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.07 129.92 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -122.7 135.31 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 CA-C-O 121.595 0.712 . . . . 0.0 109.792 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HZ1' ' CB ' ' A' ' 57' ' ' LYS . 3.3 ttmp? -81.53 132.44 35.31 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -83.26 130.23 35.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.254 -0.904 . . . . 0.0 109.034 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' A' ' 59' ' ' ARG . 22.2 mmm-85 -98.31 172.05 7.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.081 -1.012 . . . . 0.0 109.66 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -68.24 172.22 6.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 0.0 111.174 -177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -145.08 168.5 20.16 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 121.219 0.533 . . . . 0.0 109.864 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -84.08 139.77 32.26 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.244 -0.91 . . . . 0.0 109.906 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.1 p -55.15 -32.33 62.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.221 -0.924 . . . . 0.0 110.305 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.72 126.99 28.27 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.289 -0.882 . . . . 0.0 109.2 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -61.81 -41.78 98.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.197 -0.94 . . . . 0.0 109.544 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.443 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.712 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.391 3.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.186 4.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.441 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.14 0 O4'-C1'-N19 110.967 3.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.933 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.103 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 1 O4'-C1'-N19 111.109 4.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.103 0 O4'-C1'-N19 110.797 3.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.182 4.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.535 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.307 3.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 O4'-C1'-N19 110.971 3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.588 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.116 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.588 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.43 4.538 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.371 1 O4'-C1'-N19 111.567 4.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.167 1 O4'-C1'-N19 111.018 4.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.201 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.345 1 O4'-C1'-N19 111.178 4.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.049 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.521 4.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.818 3.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.202 3.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 ttm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.129 0.49 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 49.63 -140.68 0.74 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.045 -1.034 . . . . 0.0 109.133 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -93.2 166.75 12.17 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.811 -1.18 . . . . 0.0 110.424 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.539 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . 80.24 3.76 89.77 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 4' ' ' GLY . 56.9 mp0 0.89 -91.4 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 123.095 0.558 . . . . 0.0 112.33 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.55 ' O ' ' C ' ' A' ' 7' ' ' ASN . 73.0 tp60 -147.65 147.77 30.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.717 -1.24 . . . . 0.0 108.864 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.556 ' ND2' ' N ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -0.76 -110.21 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.434 0 C-N-CA 123.102 0.561 . . . . 0.0 112.276 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.556 ' N ' ' ND2' ' A' ' 7' ' ' ASN . . . 135.28 -55.31 0.73 Allowed Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 24.2 Cg_exo -61.65 48.86 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.69 2.26 . . . . 0.0 112.824 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' GLY . 87.7 m -61.83 122.56 15.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.371 -0.831 . . . . 0.0 109.241 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -143.83 145.03 32.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.147 -0.971 . . . . 0.0 109.441 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.7 t -70.35 110.82 5.51 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.028 -1.045 . . . . 0.0 108.389 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.4 p -66.74 -10.08 43.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.562 -0.711 . . . . 0.0 109.463 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -96.47 -41.83 8.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.543 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -129.17 3.57 5.22 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.809 -1.182 . . . . 0.0 111.714 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 61.02 3.52 0.68 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.125 -0.984 . . . . 0.0 112.61 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 t -64.92 132.8 50.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.359 -1.463 . . . . 0.0 109.756 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -98.66 -12.22 21.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.487 -0.758 . . . . 0.0 109.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -99.98 121.95 42.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -0.977 . . . . 0.0 110.305 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.448 ' HG1' ' H ' ' A' ' 22' ' ' LEU . 5.5 t -163.97 144.75 6.82 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 109.942 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.67 -17.48 11.11 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.013 1.809 . . . . 0.0 111.327 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.448 ' H ' ' HG1' ' A' ' 20' ' ' THR . 37.0 tp -152.65 128.85 10.47 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 122.002 0.906 . . . . 0.0 109.801 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -88.22 125.36 34.6 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.488 0.661 . . . . 0.0 109.559 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 28.2 mmt180 -107.08 174.31 5.94 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.95 150.95 43.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.124 -0.985 . . . . 0.0 108.995 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.9 t-20 -90.97 140.58 26.12 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 108.798 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -42.96 -9.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.779 1.653 . . . . 0.0 112.457 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.2 mt-10 -96.17 2.53 53.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 108.959 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 7.96 83.35 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -85.24 137.73 36.95 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 120.602 -1.528 . . . . 0.0 107.771 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.07 134.21 15.84 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.073 1.849 . . . . 0.0 112.835 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.8 mt -124.1 160.03 28.67 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.7 p -82.19 -144.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.341 -1.474 . . . . 0.0 108.226 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.76 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.1 p-10 -80.87 -65.71 0.98 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.125 -0.984 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.76 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.96 -39.22 93.64 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.6 m -58.23 -52.27 66.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.729 -1.857 . . . . 0.0 109.619 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.46 -45.0 95.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.7 mt -68.75 -40.66 79.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.102 -1.234 . . . . 0.0 111.338 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.63 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.0 t80 -77.82 -48.07 17.38 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.123 -0.985 . . . . 0.0 111.286 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.18 -48.93 79.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 110.531 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.08 -40.42 89.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.955 -1.091 . . . . 0.0 109.559 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.16 -35.17 73.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.947 . . . . 0.0 111.551 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.63 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 45.5 m80 -92.37 -33.18 14.67 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.562 -1.336 . . . . 0.0 111.212 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.89 10.88 56.93 Favored Glycine 0 N--CA 1.491 2.319 0 O-C-N 120.641 -1.287 . . . . 0.0 111.1 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.66 145.74 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 120.757 -1.437 . . . . 0.0 110.367 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -49.89 153.41 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -0.928 . . . . 0.0 109.023 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -151.77 136.62 10.45 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.132 -0.98 . . . . 0.0 108.971 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -35.48 96.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.116 1.877 . . . . 0.0 113.358 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 51' ' ' LEU . 83.7 mt -59.15 -15.6 15.42 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.7 m -56.7 -5.82 0.26 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.6 -0.687 . . . . 0.0 109.68 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 49' ' ' LEU . 89.5 mt -77.73 -19.54 55.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.138 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 13.9 tmtt? -53.08 150.55 5.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 109.617 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 t -149.63 158.27 44.02 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.578 -0.701 . . . . 0.0 109.424 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 84.6 m-20 -88.08 -6.89 57.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.515 -0.741 . . . . 0.0 110.259 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -112.32 130.69 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.357 -0.839 . . . . 0.0 109.447 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.55 133.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.728 -0.608 . . . . 0.0 110.27 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.1 130.04 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -82.49 130.24 35.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.835 . . . . 0.0 109.901 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -96.37 158.43 15.44 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.866 0.841 . . . . 0.0 109.225 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -80.79 -159.54 0.25 Allowed 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.626 0.727 . . . . 0.0 110.191 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -125.79 153.19 44.4 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -82.32 -11.67 58.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.902 -1.124 . . . . 0.0 109.213 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.8 m -65.48 129.26 39.12 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.22 -0.925 . . . . 0.0 109.185 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.09 123.12 48.22 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -73.37 -10.03 59.31 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.179 -0.951 . . . . 0.0 108.854 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.542 -179.801 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.058 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.33 0 O4'-C1'-N19 110.791 3.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.378 3.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.457 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 111.089 4.112 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.65 1 O4'-C1'-N19 111.743 4.929 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.1 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.263 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.802 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.705 3.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 1 O4'-C1'-N19 111.247 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 1 O4'-C1'-N19 111.307 4.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.575 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.472 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.454 3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-N19 110.78 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.049 1 O4'-C1'-N19 111.323 4.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.467 1 O4'-C1'-N19 111.123 4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.543 3.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 C3'-C2'-C1' 107.119 3.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.262 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.438 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.623 3.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 1 O4'-C1'-N19 111.22 4.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptm . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.18 0.514 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 50.06 -141.24 0.73 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.263 -0.898 . . . . 0.0 109.549 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -80.02 167.49 20.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.989 -1.069 . . . . 0.0 109.478 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . 77.38 -127.34 8.3 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -46.29 89.97 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.385 -1.067 . . . . 0.0 110.499 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 4' ' ' GLY . 42.4 mt-30 -56.26 -40.84 74.85 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.552 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 11.4 p30 -161.91 -93.45 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.159 -0.963 . . . . 0.0 109.544 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.552 ' H ' ' CG ' ' A' ' 7' ' ' ASN . . . -80.09 170.86 54.08 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.26 -170.19 0.29 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 123.101 2.534 . . . . 0.0 112.094 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.6 m -61.01 119.96 9.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.657 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.0 m -143.86 134.43 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.377 -0.827 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.4 t -64.37 109.22 1.85 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.779 -1.201 . . . . 0.0 108.988 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -67.51 -9.99 47.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.704 -0.623 . . . . 0.0 110.174 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -98.79 -40.01 8.34 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.917 . . . . 0.0 110.937 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 p -130.46 4.62 4.7 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.918 -1.114 . . . . 0.0 110.533 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 56.13 5.27 0.16 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 113.039 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 t -62.31 129.76 42.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.017 -1.677 . . . . 0.0 109.265 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -98.38 -4.93 33.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.422 -0.799 . . . . 0.0 110.148 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -111.21 121.31 44.96 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.381 -0.825 . . . . 0.0 109.34 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.04 147.68 6.91 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.913 -1.117 . . . . 0.0 109.921 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.22 -18.3 12.73 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.03 1.82 . . . . 0.0 112.076 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.5 tp -154.07 128.05 8.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.248 -0.908 . . . . 0.0 110.182 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -88.04 127.77 35.4 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.388 0.614 . . . . 0.0 110.016 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 28.9 mmt180 -109.41 176.3 5.13 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HG2' HH11 ' A' ' 25' ' ' ARG . 10.6 ptt-85 -137.39 151.28 48.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLU . 7.8 t-20 -86.88 141.81 33.77 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.364 -0.835 . . . . 0.0 108.956 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.53 -11.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.314 1.343 . . . . 0.0 111.884 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.2 mt-10 -99.71 6.38 45.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.383 -0.823 . . . . 0.0 109.745 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.47 15.75 70.47 Favored Glycine 0 N--CA 1.492 2.379 0 O-C-N 121.309 -0.87 . . . . 0.0 111.245 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -91.9 114.63 62.63 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 120.654 -1.497 . . . . 0.0 109.297 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.31 132.55 24.09 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.852 1.701 . . . . 0.0 112.814 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.8 mt -127.38 159.84 33.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.3 p -84.19 -140.39 0.07 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.4 -1.437 . . . . 0.0 108.836 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.494 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -82.11 -70.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 112.046 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -33.73 75.97 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 113.613 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.17 -56.59 19.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.162 -1.587 . . . . 0.0 110.258 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.73 -41.98 99.76 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.88 -40.16 83.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.098 -1.236 . . . . 0.0 110.988 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 43.1 t80 -80.73 -46.87 14.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 111.721 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 tp -60.91 -50.04 75.01 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.101 -1.0 . . . . 0.0 110.19 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' CB ' ' HZ1' ' A' ' 41' ' ' LYS . 3.1 ttmp? -59.92 -49.08 79.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.014 -1.054 . . . . 0.0 110.271 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.96 -32.49 70.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.234 -0.916 . . . . 0.0 111.375 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 73.8 m80 -93.91 -38.2 11.32 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.644 -1.285 . . . . 0.0 111.415 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.73 60.53 Favored Glycine 0 N--CA 1.492 2.416 0 O-C-N 120.555 -1.34 . . . . 0.0 111.524 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.08 163.97 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.865 -1.373 . . . . 0.0 109.899 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.6 m -51.36 145.41 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.153 -0.967 . . . . 0.0 109.379 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 49' ' ' LEU . 5.4 ttm180 -130.37 112.31 16.74 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.739 -0.6 . . . . 0.0 109.769 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.445 ' C ' ' H ' ' A' ' 50' ' ' SER . 71.2 Cg_exo -47.51 96.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 120.936 1.09 . . . . 0.0 110.011 177.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ARG . 90.0 mt -56.25 -10.48 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.224 -0.923 . . . . 0.0 108.763 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 48' ' ' PRO . 20.6 m -59.93 -10.82 4.47 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.71 -29.01 61.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 13.3 tmtt? -50.89 147.85 4.65 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.882 . . . . 0.0 110.185 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.39 158.35 44.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.426 -0.797 . . . . 0.0 109.679 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.507 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 88.8 m-20 -85.76 -10.46 55.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.95 128.54 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.229 -0.92 . . . . 0.0 109.415 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.5 mt -120.68 134.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -70.79 120.67 16.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.089 -1.007 . . . . 0.0 108.947 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -83.44 134.9 34.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 59' ' ' ARG . 17.8 mmm-85 -102.37 167.54 9.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -76.8 -161.15 0.18 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.35 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -144.91 154.15 42.3 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.532 -0.73 . . . . 0.0 109.224 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.655 HD21 ' N ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -89.3 -10.9 45.09 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 179.509 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.655 ' N ' HD21 ' A' ' 62' ' ' ASN . 52.6 m -140.7 157.72 45.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.403 -0.81 . . . . 0.0 109.322 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.7 149.96 50.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.593 -0.692 . . . . 0.0 109.169 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -155.19 155.88 34.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.863 . . . . 0.0 108.974 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.004 -1.06 . . . . 0.0 109.501 -179.796 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.562 " O5'" ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 C3'-C2'-C1' 107.045 3.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.883 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 O4'-C1'-N19 110.773 3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 0 O4'-C1'-N19 110.233 3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.508 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.535 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.154 1 O4'-C1'-N19 111.25 4.312 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.059 1 O4'-C1'-N19 111.678 4.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.555 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.036 4.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 110.986 3.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.439 " O5'" ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C1'-N19 110.546 3.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.286 0 O4'-C1'-N19 110.917 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.267 0 O4'-C1'-N19 110.703 3.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.962 0 O4'-C1'-N19 110.99 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.669 4.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.402 4.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.535 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.416 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.173 1 O4'-C1'-N19 111.53 4.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 1 O4'-C1'-N19 111.485 4.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.234 4.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -65.19 149.71 49.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.26 -0.9 . . . . 0.0 108.93 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -93.41 109.38 20.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.247 -0.908 . . . . 0.0 109.927 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.88 81.77 0.03 OUTLIER Glycine 0 N--CA 1.493 2.485 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.3 138.7 58.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.189 -1.183 . . . . 0.0 109.325 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -95.44 131.59 41.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.192 -0.942 . . . . 0.0 109.496 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -55.94 -48.01 76.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.825 . . . . 0.0 109.638 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.72 -82.63 0.35 Allowed Glycine 0 N--CA 1.498 2.794 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -71.8 60.86 2.95 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.441 2.094 . . . . 0.0 112.651 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m -59.57 124.69 20.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.172 -0.955 . . . . 0.0 108.965 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -139.26 146.96 41.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.328 -0.857 . . . . 0.0 109.442 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.8 t -75.42 111.0 10.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.153 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.6 p -69.0 -10.62 58.43 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.717 -0.614 . . . . 0.0 110.579 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -97.36 -39.25 9.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.025 -1.047 . . . . 0.0 110.678 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.514 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.3 p -129.59 6.14 5.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.928 -1.107 . . . . 0.0 111.173 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 56.39 1.41 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.103 -0.998 . . . . 0.0 112.561 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.514 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -63.65 130.92 46.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.27 -1.519 . . . . 0.0 109.332 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -102.55 -6.32 22.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -102.91 117.93 35.71 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.81 148.75 6.67 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 109.948 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.1 -17.6 13.37 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.037 1.825 . . . . 0.0 112.226 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.1 tp -156.91 122.26 4.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.971 -1.081 . . . . 0.0 110.889 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -79.99 128.1 33.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 28.1 mmt180 -108.36 173.33 6.37 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -140.04 149.58 43.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.516 -0.74 . . . . 0.0 109.176 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.5 t30 -87.89 140.95 31.22 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -47.2 -6.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.177 1.251 . . . . 0.0 112.002 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' ASN . 66.8 mm-40 -101.64 -0.36 34.84 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.325 -0.859 . . . . 0.0 109.557 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 23.3 38.58 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.281 -0.887 . . . . 0.0 111.287 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.56 111.67 60.65 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 120.842 -1.387 . . . . 0.0 108.648 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.53 131.28 32.24 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 121.922 1.748 . . . . 0.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -129.78 159.47 36.43 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.14 -140.45 0.06 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.384 -1.448 . . . . 0.0 108.732 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.508 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 21.9 p-10 -81.84 -69.91 0.58 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 111.667 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -65.56 -33.31 75.61 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -55.62 -55.71 28.9 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 119.957 -1.714 . . . . 0.0 109.888 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -41.39 97.33 Favored Glycine 0 N--CA 1.489 2.226 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.781 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.88 -40.01 79.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.874 -1.368 . . . . 0.0 111.007 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 19.7 t80 -80.74 -42.19 22.28 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.012 -1.055 . . . . 0.0 111.004 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.5 -53.31 56.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.193 -0.942 . . . . 0.0 110.406 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.07 -40.8 90.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.907 -1.121 . . . . 0.0 110.578 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.99 -30.63 68.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.077 -1.014 . . . . 0.0 111.092 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CZ ' ' A' ' 39' ' ' PHE . 69.1 m80 -98.38 -21.62 16.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.762 -1.211 . . . . 0.0 110.516 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.06 9.36 40.66 Favored Glycine 0 N--CA 1.491 2.36 0 O-C-N 120.523 -1.36 . . . . 0.0 110.844 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.68 145.2 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.042 -1.269 . . . . 0.0 109.136 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.1 m -56.01 125.22 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' PRO . 19.4 ttp180 -93.85 131.15 32.62 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.415 -0.803 . . . . 0.0 109.208 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ARG . 84.5 Cg_exo -40.38 104.88 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.163 1.242 . . . . 0.0 110.614 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.91 -12.97 3.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.603 -0.686 . . . . 0.0 109.426 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -60.96 -19.6 61.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.423 -0.798 . . . . 0.0 110.15 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.2 mt -77.07 -24.6 51.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.102 -0.999 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -57.35 157.2 6.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.925 . . . . 0.0 108.786 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.07 159.45 43.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.964 -1.085 . . . . 0.0 109.525 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -86.49 -6.88 58.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 109.598 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.09 136.66 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.8 mt -127.94 140.01 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.312 -0.868 . . . . 0.0 109.878 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -81.84 130.03 34.94 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -85.13 134.93 34.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 108.96 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.448 HH11 ' HG2' ' A' ' 59' ' ' ARG . 42.3 mtt-85 -98.05 164.02 12.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.117 -0.99 . . . . 0.0 109.318 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -78.69 -162.27 0.36 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -135.34 136.53 41.6 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -152.69 124.12 7.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.048 -1.033 . . . . 0.0 109.616 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.8 p -70.08 159.58 33.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.341 -0.849 . . . . 0.0 109.449 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.44 148.54 25.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.322 -0.861 . . . . 0.0 109.354 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -63.0 -39.95 96.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.047 -1.033 . . . . 0.0 109.714 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.282 179.652 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.646 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.502 0 C3'-C2'-C1' 106.934 3.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.045 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.216 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.483 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.658 3.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.483 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.791 1 O4'-C1'-N19 111.31 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C1'-N19 111.682 4.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.788 3.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.507 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 1 O4'-C1'-N19 111.1 4.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.327 4.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 0 O4'-C1'-N19 110.773 3.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C1'-N19 110.878 3.847 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.44 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.886 3.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.013 1 O4'-C1'-N19 111.055 4.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.737 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.966 1 O4'-C1'-N19 111.326 4.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.466 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.974 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.404 ' C4 ' ' O6 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 2.036 1 O4'-C1'-N19 111.292 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.51 3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.934 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.037 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.071 0 O4'-C1'-N19 110.583 3.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -92.27 121.5 33.85 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.291 -0.881 . . . . 0.0 109.126 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.74 HD21 ' H ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -68.18 -40.25 82.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 0.0 110.734 -179.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.505 ' N ' ' ND2' ' A' ' 3' ' ' ASN . . . 72.42 -5.23 16.23 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.74 ' H ' HD21 ' A' ' 3' ' ' ASN . 36.7 tp10 -120.01 134.41 55.26 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' NE2' ' OE1' ' A' ' 18' ' ' GLN . 98.0 mt-30 -65.84 78.13 0.08 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.853 -1.154 . . . . 0.0 109.144 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' GLU . 42.3 t30 -60.95 -58.25 9.24 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.6 159.14 24.72 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.04 25.76 0.34 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.461 2.107 . . . . 0.0 112.281 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.7 m -64.53 120.01 11.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 0.0 109.544 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.7 m -147.58 145.31 28.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.362 -0.836 . . . . 0.0 109.255 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.8 t -71.58 111.38 6.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.141 -0.974 . . . . 0.0 109.015 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 p -68.36 -9.12 45.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -96.92 -42.35 7.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 11.5 p -129.86 3.02 4.89 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.968 -1.083 . . . . 0.0 111.196 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 58.75 4.86 0.42 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.189 -0.944 . . . . 0.0 112.897 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.457 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -66.22 132.84 49.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.087 -1.633 . . . . 0.0 110.536 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.493 ' OE1' ' NE2' ' A' ' 6' ' ' GLN . 29.2 pt20 -101.67 -2.36 30.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.569 -0.707 . . . . 0.0 109.963 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -108.98 119.1 38.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.336 -0.853 . . . . 0.0 108.747 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -164.15 144.75 6.64 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -76.34 -18.61 15.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.139 1.893 . . . . 0.0 111.96 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD21 HH21 ' A' ' 24' ' ' ARG . 28.0 tp -154.52 124.72 6.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.184 -0.947 . . . . 0.0 110.306 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -83.98 128.86 34.84 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.58 0.705 . . . . 0.0 110.159 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.404 HH21 HD21 ' A' ' 22' ' ' LEU . 29.3 mmt180 -111.97 178.71 4.22 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -139.26 154.55 47.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 109.497 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 15.6 t30 -93.4 141.46 23.97 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -44.12 -10.6 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.576 1.518 . . . . 0.0 112.385 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.1 mm-40 -92.79 5.75 50.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.011 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.7 5.58 88.03 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -86.33 146.49 42.39 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 120.948 -1.325 . . . . 0.0 108.894 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.03 138.44 18.31 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.299 1.999 . . . . 0.0 113.168 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.9 mt -129.25 159.98 34.39 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.594 ' SG ' ' ND2' ' A' ' 34' ' ' ASN . 30.1 p -85.0 -134.07 0.05 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.447 -1.408 . . . . 0.0 109.123 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.669 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -83.19 -83.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.136 -0.977 . . . . 0.0 112.131 -178.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.669 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -61.24 -27.96 68.82 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 m -56.37 -54.09 49.63 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 119.967 -1.708 . . . . 0.0 110.203 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.36 -44.65 64.17 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.461 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.908 -1.348 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 42.9 t80 -76.09 -46.4 29.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.596 -0.69 . . . . 0.0 111.68 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.08 -50.44 71.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.944 -1.097 . . . . 0.0 110.965 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -59.92 -42.15 93.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.94 -30.36 67.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.046 -1.034 . . . . 0.0 110.622 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -94.13 -36.94 11.84 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.717 -1.239 . . . . 0.0 111.143 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.08 10.19 55.85 Favored Glycine 0 N--CA 1.493 2.435 0 O-C-N 120.571 -1.331 . . . . 0.0 111.507 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.38 146.93 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.897 -1.354 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 m -54.16 144.3 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.305 -0.872 . . . . 0.0 109.386 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' PRO . 2.5 tpm_? -150.03 128.52 6.0 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 50' ' ' SER . 41.8 Cg_exo -34.27 108.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.124 1.883 . . . . 0.0 112.977 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.69 -8.39 2.02 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 48' ' ' PRO . 78.7 p -58.61 -13.94 7.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.442 -0.787 . . . . 0.0 109.497 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.33 -30.61 66.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 108.335 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.553 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 10.1 tmtt? -55.87 155.75 5.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.462 -0.774 . . . . 0.0 109.711 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.06 148.13 36.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.451 -0.781 . . . . 0.0 109.519 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.553 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 75.8 m-20 -87.97 -4.61 58.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.495 -0.753 . . . . 0.0 109.216 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -110.27 125.92 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.98 134.1 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.555 0.693 . . . . 0.0 110.15 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -81.51 131.93 35.3 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -80.51 131.77 35.59 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.16 -0.962 . . . . 0.0 108.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -100.37 167.39 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.827 . . . . 0.0 108.966 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.9 p30 -78.87 -163.33 0.47 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.454 -0.779 . . . . 0.0 110.014 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.536 HH11 ' CG ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -130.04 130.8 45.39 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -89.0 130.03 35.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.116 -0.99 . . . . 0.0 109.785 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.1 t -99.97 121.54 41.51 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.3 112.53 7.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.348 -0.845 . . . . 0.0 109.168 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -72.63 -12.68 61.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 0.0 109.416 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.294 179.678 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.415 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 110.676 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.569 0 O4'-C1'-N19 110.449 3.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.478 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.206 1 O4'-C1'-N19 111.077 4.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.23 1 O4'-C1'-N19 111.347 4.433 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.485 ' N3 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.216 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.429 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 0 O4'-C1'-N19 110.958 3.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.241 4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.554 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.703 3.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.459 ' OP2' ' CD1' ' A' ' 39' ' ' PHE . . . . . . . . 0 C5'--C4' 1.529 2.197 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.344 0 O4'-C1'-N19 110.784 3.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C1'-N19 112.021 5.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.439 0 C3'-C2'-C1' 106.943 3.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.654 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.26 -28.84 69.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.489 -0.757 . . . . 0.0 109.835 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -58.16 129.32 41.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.079 -1.013 . . . . 0.0 109.9 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.93 6.45 0.02 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.889 -1.684 . . . . 0.0 108.889 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -144.34 158.39 43.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.459 -1.024 . . . . 0.0 109.354 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -98.65 -99.77 0.22 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.497 -0.752 . . . . 0.0 109.882 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -89.3 -174.44 4.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.102 -0.999 . . . . 0.0 109.704 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.62 -76.04 0.06 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -79.01 12.24 2.33 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.756 2.304 . . . . 0.0 111.931 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.9 m -59.65 119.48 7.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.205 -0.934 . . . . 0.0 108.839 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.0 m -141.28 148.76 40.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.722 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.3 t -77.03 112.89 14.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.469 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -10.27 48.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 109.987 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -98.96 -40.15 8.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.346 -0.846 . . . . 0.0 110.511 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.553 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 12.9 p -132.38 10.53 4.46 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.952 -1.093 . . . . 0.0 111.591 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 52.0 -0.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.684 -1.26 . . . . 0.0 112.617 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.527 ' H ' ' C ' ' A' ' 15' ' ' CYS . 6.3 t -60.06 134.96 57.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.156 -1.59 . . . . 0.0 109.788 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -102.89 -11.98 17.86 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.345 -0.847 . . . . 0.0 109.384 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -98.27 119.98 37.89 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.189 -0.945 . . . . 0.0 108.976 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -163.43 146.23 8.02 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.8 -20.76 13.16 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.188 1.925 . . . . 0.0 112.055 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.7 tp -155.41 120.55 4.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 110.13 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.33 129.23 34.53 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 30.3 mmt180 -109.93 -179.29 3.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.56 149.86 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.259 -0.901 . . . . 0.0 109.398 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.2 t30 -88.03 141.0 30.98 Favored Pre-proline 0 N--CA 1.489 1.521 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.25 -9.82 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.607 1.538 . . . . 0.0 112.777 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.7 mt-10 -98.05 7.05 46.9 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.056 -1.027 . . . . 0.0 109.726 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.22 10.78 77.2 Favored Glycine 0 N--CA 1.494 2.547 0 O-C-N 121.276 -0.89 . . . . 0.0 111.316 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -90.91 142.16 27.3 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 120.712 -1.463 . . . . 0.0 108.415 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.25 133.8 15.13 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.8 1.666 . . . . 0.0 112.783 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -125.64 159.71 31.51 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.5 -143.76 0.07 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.424 -1.422 . . . . 0.0 107.664 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.552 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 29.8 p-10 -81.19 -68.08 0.72 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.865 -1.147 . . . . 0.0 111.921 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.552 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.12 -37.7 86.1 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.0 m -58.03 -56.73 18.28 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.125 -1.609 . . . . 0.0 110.651 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.92 99.13 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.67 -40.04 88.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.245 . . . . 0.0 110.146 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 57.9 t80 -80.32 -48.3 13.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.561 -0.712 . . . . 0.0 111.611 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.14 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 109.841 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.05 -43.36 95.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.946 -1.096 . . . . 0.0 110.714 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.16 -31.0 68.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.039 -1.038 . . . . 0.0 111.738 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.644 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 55.2 m80 -96.84 -34.31 11.33 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.69 -1.256 . . . . 0.0 111.002 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.65 13.62 46.61 Favored Glycine 0 N--CA 1.49 2.266 0 O-C-N 120.587 -1.32 . . . . 0.0 111.203 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.35 140.79 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.931 -1.335 . . . . 0.0 110.205 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -59.36 140.08 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-O 121.375 0.607 . . . . 0.0 109.684 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.595 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -152.36 138.27 11.62 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 108.576 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.427 ' C ' ' H ' ' A' ' 50' ' ' SER . 44.6 Cg_exo -33.05 108.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.44 2.094 . . . . 0.0 113.904 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' A' ' 51' ' ' LEU . 88.1 mt -61.77 -7.23 3.31 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 48' ' ' PRO . 38.7 m -57.83 -9.99 1.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 0.0 109.016 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.5 mt -70.75 -29.48 65.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.261 -0.9 . . . . 0.0 108.638 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -57.64 154.97 10.56 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.375 -0.828 . . . . 0.0 109.641 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.48 150.25 40.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.254 -0.904 . . . . 0.0 109.26 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -86.94 -7.17 58.43 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.308 -0.87 . . . . 0.0 109.809 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 p -108.38 129.69 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.12 133.56 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.452 -0.78 . . . . 0.0 110.059 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -84.04 131.28 34.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.463 -0.773 . . . . 0.0 109.036 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -82.06 129.89 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.443 ' HG2' HH11 ' A' ' 59' ' ' ARG . 22.3 mtt-85 -98.08 169.94 9.26 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.327 -0.858 . . . . 0.0 109.003 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.47 179.34 3.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -0.933 . . . . 0.0 110.901 -178.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.412 HH11 ' HG3' ' A' ' 61' ' ' ARG . 36.1 mtm-85 -147.48 170.52 17.23 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.469 0.652 . . . . 0.0 109.569 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -147.18 -35.4 0.24 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.3 p -72.85 -27.01 61.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.882 . . . . 0.0 109.46 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.67 84.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.313 -0.867 . . . . 0.0 109.81 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.419 ' O ' ' OG ' ' A' ' 66' ' ' SER . 17.4 p30 -77.03 159.9 29.52 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.996 -1.065 . . . . 0.0 109.603 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 65' ' ' ASN . 30.6 m . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.22 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.443 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O4'-C1'-N19 110.353 3.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 1 O4'-C1'-N19 111.115 4.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.308 4.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.438 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.827 ' N7 ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.98 5.225 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.517 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.821 5.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.687 4.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.166 1 O4'-C1'-N19 111.14 4.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.25 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.262 1 O4'-C1'-N19 111.055 4.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.517 0 O4'-C1'-N19 110.851 3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.399 4.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.434 4.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.671 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.321 3.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 1 O4'-C1'-N19 111.101 4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.469 1 O4'-C1'-N19 111.041 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.321 4.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.517 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.424 4.53 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.409 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.444 1.862 1 O4'-C1'-N19 112.153 5.441 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.458 " H2'" ' N7 ' ' C' ' 123' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.66 3.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . 0.458 ' N7 ' " H2'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.942 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.788 3.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 O4'-C1'-N19 110.805 3.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.034 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -79.96 -69.97 0.55 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.407 -0.808 . . . . 0.0 110.157 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.691 ' N ' HD21 ' A' ' 3' ' ' ASN . 0.0 OUTLIER -171.16 136.81 1.09 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.088 -1.007 . . . . 0.0 110.053 -179.53 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.63 3.23 26.05 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -84.04 152.03 24.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -1.125 . . . . 0.0 110.125 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.552 ' OE1' ' N ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -75.92 -152.09 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 178.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.53 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 9.7 p-10 -61.9 -65.76 0.64 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.336 -1.477 . . . . 0.0 109.716 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.552 ' N ' ' OE1' ' A' ' 6' ' ' GLN . . . -149.65 169.22 29.86 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -34.11 153.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.23 2.62 . . . . 0.0 112.987 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.1 m -62.12 120.65 11.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.421 -0.799 . . . . 0.0 109.666 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m -143.99 146.97 33.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 0.0 109.731 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -71.42 109.69 5.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.049 -1.032 . . . . 0.0 109.749 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 p -68.66 -7.76 36.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.919 -0.488 . . . . 0.0 109.745 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.491 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.0 OUTLIER -98.07 -40.08 8.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.305 -0.872 . . . . 0.0 110.573 -179.206 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.8 p -132.1 6.09 4.21 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.967 -1.083 . . . . 0.0 110.53 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 57.11 4.96 0.21 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.9 . . . . 0.0 112.567 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.469 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.8 t -64.22 132.4 50.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.137 -1.602 . . . . 0.0 109.601 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.03 -9.95 22.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.474 -0.766 . . . . 0.0 109.364 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -100.34 118.94 37.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.371 -0.831 . . . . 0.0 109.332 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.591 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 5.5 t -165.87 141.21 4.03 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.035 -1.041 . . . . 0.0 110.268 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.79 -17.99 10.66 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.352 2.035 . . . . 0.0 112.811 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD2' HH12 ' A' ' 24' ' ' ARG . 42.5 tp -150.69 126.17 10.15 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.823 -1.173 . . . . 0.0 109.96 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -88.72 123.68 33.39 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.6 0.714 . . . . 0.0 111.223 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.827 ' NH2' ' N7 ' ' B' ' 105' ' ' ' DG' . 1.7 mmt-85 -107.13 179.63 4.2 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.9 151.9 45.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.24 -0.912 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -88.59 139.57 29.73 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.557 -0.714 . . . . 0.0 109.208 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.53 -13.29 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.938 1.758 . . . . 0.0 112.493 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -94.93 8.29 43.27 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 6.19 88.33 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -86.9 143.59 35.5 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.859 -1.377 . . . . 0.0 108.37 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.1 140.49 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.391 2.06 . . . . 0.0 113.056 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.2 mt -127.1 157.49 39.53 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.3 p -82.4 -156.45 0.17 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.754 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -80.04 -48.21 13.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.625 -1.297 . . . . 0.0 111.942 -179.331 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.754 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -68.97 -42.57 76.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.542 -1.349 . . . . 0.0 112.692 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.5 m -57.81 -53.95 52.41 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.549 -1.344 . . . . 0.0 110.703 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.69 -41.22 99.56 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.508 ' CD2' ' H62' ' B' ' 106' ' ' ' DA' . 84.6 mt -69.98 -45.64 66.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.148 -1.207 . . . . 0.0 112.819 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 28.3 t80 -79.0 -43.4 24.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.656 -1.277 . . . . 0.0 111.218 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.2 -51.19 70.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.094 -1.004 . . . . 0.0 110.813 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.82 -40.33 97.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.039 -1.038 . . . . 0.0 110.899 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.97 -35.79 74.71 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.195 -0.941 . . . . 0.0 111.028 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.4 m80 -93.65 -31.55 14.42 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.655 -1.278 . . . . 0.0 110.623 -178.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.69 16.82 61.76 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 120.772 -1.205 . . . . 0.0 111.235 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.51 170.04 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.902 -1.352 . . . . 0.0 109.439 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 m -48.97 142.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.828 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -120.7 107.16 38.72 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -46.13 96.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.472 1.448 . . . . 0.0 110.936 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.49 -16.57 25.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.451 -0.78 . . . . 0.0 110.057 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.5 p -61.18 -11.93 10.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.962 -1.086 . . . . 0.0 109.346 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.91 -24.92 40.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 109.499 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -54.07 155.79 3.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.18 -0.95 . . . . 0.0 109.001 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.19 154.03 41.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.174 -0.954 . . . . 0.0 109.49 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -89.33 -2.69 58.53 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -109.11 124.79 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.21 142.72 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.574 -0.704 . . . . 0.0 109.211 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -78.79 123.39 27.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.531 -0.73 . . . . 0.0 110.08 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -86.0 135.52 33.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.402 -0.811 . . . . 0.0 109.4 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -110.19 165.57 11.65 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -95.72 141.68 28.9 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HG2' HH11 ' A' ' 61' ' ' ARG . 2.2 mmt-85 -97.67 109.03 21.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.689 -1.257 . . . . 0.0 109.84 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -152.05 85.37 1.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.203 -0.936 . . . . 0.0 109.578 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 m -148.63 2.26 0.61 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.087 -1.008 . . . . 0.0 109.817 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.11 123.35 39.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.085 -1.01 . . . . 0.0 108.829 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -70.04 -22.56 63.07 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.177 -0.952 . . . . 0.0 109.336 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.1 p . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.091 179.512 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.554 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.749 0 C3'-C2'-C1' 107.084 3.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 1 O4'-C1'-N19 111.273 4.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 1 O4'-C1'-N19 111.058 4.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.328 3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.49 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.191 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.437 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 1 O4'-C1'-N19 111.443 4.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.023 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.351 0 O4'-C1'-N19 110.922 3.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.924 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.633 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.384 3.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.663 0 O4'-C1'-N19 110.492 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.345 0 O4'-C1'-N19 110.751 3.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.038 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.497 4.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.535 ' P ' HH22 ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.159 4.198 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.001 1 O4'-C1'-N19 111.11 4.137 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C1'-N19 110.637 3.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . 0.548 ' P ' ' ND2' ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.654 1 O4'-C1'-N19 111.53 4.662 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C1'-N19 110.636 3.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 0 O4'-C1'-N19 110.456 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -144.71 -72.03 0.27 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.23 -0.919 . . . . 0.0 109.073 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -61.72 -40.02 93.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 0.0 110.158 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.28 -143.35 32.89 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -149.74 170.14 19.42 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.365 -1.079 . . . . 0.0 109.479 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -53.8 152.0 5.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.133 -0.98 . . . . 0.0 109.531 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -63.05 -40.13 96.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.052 -1.03 . . . . 0.0 109.264 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.95 161.02 32.09 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -39.26 99.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.531 2.154 . . . . 0.0 112.744 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.3 m -60.31 120.17 9.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.177 -0.952 . . . . 0.0 108.799 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -138.59 150.47 46.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.313 -0.867 . . . . 0.0 109.799 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.4 t -76.54 111.3 11.88 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.8 p -68.3 -9.11 45.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.56 -0.713 . . . . 0.0 110.077 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.423 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.1 m-80 -97.39 -39.65 9.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.442 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.523 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.6 p -131.77 13.07 4.87 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.95 -1.094 . . . . 0.0 111.378 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 59.65 6.53 0.86 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.109 -0.995 . . . . 0.0 112.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.553 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 15.7 m -64.01 121.2 13.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.354 -1.466 . . . . 0.0 110.174 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -99.65 0.11 41.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.562 -0.711 . . . . 0.0 109.36 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -120.05 130.08 54.53 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.565 -0.709 . . . . 0.0 109.229 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -168.37 150.02 4.82 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.97 . . . . 0.0 109.62 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -82.62 -17.58 7.26 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.903 1.735 . . . . 0.0 110.812 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.401 HD21 HH21 ' A' ' 24' ' ' ARG . 19.3 tp -150.01 121.64 8.03 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.918 0.866 . . . . 0.0 110.129 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -84.98 123.08 30.12 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.591 0.71 . . . . 0.0 109.446 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 27.9 mmt180 -104.97 170.17 8.02 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -137.46 151.25 48.28 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.315 -0.865 . . . . 0.0 109.585 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.2 t30 -89.44 142.75 29.86 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -43.85 -11.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.506 1.471 . . . . 0.0 112.715 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -101.9 4.88 40.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.094 -1.004 . . . . 0.0 109.836 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.0 21.4 57.41 Favored Glycine 0 N--CA 1.493 2.442 0 O-C-N 121.189 -0.944 . . . . 0.0 111.432 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -95.64 112.26 58.44 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 120.795 -1.415 . . . . 0.0 109.555 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -48.91 138.79 26.36 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 121.931 1.754 . . . . 0.0 113.602 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.8 mt -135.48 159.5 41.39 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.432 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.1 p -82.86 -145.9 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.247 -1.533 . . . . 0.0 107.919 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' OD1' ' OP2' ' C' ' 120' ' ' ' DA' . 1.6 p30 -81.53 -63.43 1.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.025 -1.047 . . . . 0.0 110.815 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.175 -0.953 . . . . 0.0 113.377 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.3 m -58.71 -53.9 53.15 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.01 -1.681 . . . . 0.0 110.475 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.99 96.71 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.67 -40.07 80.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.168 -1.195 . . . . 0.0 110.252 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 39.5 t80 -75.73 -50.55 14.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 111.653 -178.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -60.03 -50.4 73.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 110.471 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.533 ' CB ' ' HZ1' ' A' ' 41' ' ' LYS . 7.4 ttpm? -59.98 -45.05 93.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.812 -1.18 . . . . 0.0 110.494 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.03 -38.73 75.97 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.998 -1.064 . . . . 0.0 110.714 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 65.6 m80 -86.43 -40.0 15.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.14 17.72 68.3 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 120.77 -1.207 . . . . 0.0 110.914 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.6 m -140.1 171.7 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.088 -1.243 . . . . 0.0 109.237 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 m -44.9 138.82 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.535 HH22 ' P ' ' C' ' 119' ' ' ' DT' . 3.9 ttt-85 -99.72 133.29 21.88 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.43 -0.794 . . . . 0.0 109.032 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 50' ' ' SER . 55.4 Cg_endo -71.83 81.58 1.34 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.14 1.227 . . . . 0.0 109.908 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.91 -10.11 0.71 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.4 -0.813 . . . . 0.0 108.868 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 48' ' ' PRO . 37.7 m -58.67 -11.04 2.67 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.95 6.07 34.01 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.553 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 42.6 tptt -59.32 130.08 45.19 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.351 -0.843 . . . . 0.0 110.661 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.43 153.68 35.15 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.285 0.564 . . . . 0.0 109.999 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -98.33 -2.95 38.18 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.473 -0.767 . . . . 0.0 108.96 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.23 131.15 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.547 -0.721 . . . . 0.0 109.25 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.405 HG22 HD11 ' A' ' 56' ' ' ILE . 93.9 mt -124.54 137.45 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 CA-C-O 121.431 0.634 . . . . 0.0 109.713 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -70.16 123.51 21.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.377 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -87.62 135.84 33.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.216 -0.928 . . . . 0.0 109.681 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.437 ' HG2' HH11 ' A' ' 59' ' ' ARG . 36.6 mtt-85 -105.02 170.7 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.875 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -76.12 -164.51 0.39 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.52 0.676 . . . . 0.0 109.924 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -138.09 153.05 49.31 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.548 ' ND2' ' P ' ' C' ' 123' ' ' ' DG' . 39.5 p-10 -84.6 -7.65 59.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.071 -1.018 . . . . 0.0 109.185 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -63.79 -31.85 73.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.454 -0.779 . . . . 0.0 109.694 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.7 146.54 5.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 109.461 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -83.27 145.72 28.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 0.0 109.112 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.03 -1.044 . . . . 0.0 109.222 179.703 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 0 C3'-C2'-C1' 107.068 3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.861 0 O4'-C1'-N19 110.961 3.952 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 0 C3'-C2'-C1' 106.963 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.434 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.356 4.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.139 1 O4'-C1'-N19 111.55 4.687 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.455 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.713 3.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.834 0 C3'-C2'-C1' 106.835 2.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.122 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.547 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.397 0 O4'-C1'-N19 110.227 3.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 1 O4'-C1'-N19 111.291 4.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.614 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.931 3.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.614 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 111.035 4.044 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 0 O4'-C1'-N19 110.966 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.042 1 O4'-C1'-N19 111.471 4.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.431 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 1 O4'-C1'-N19 111.494 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.199 0 C3'-C2'-C1' 107.12 3.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 1 O4'-C1'-N19 111.545 4.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.042 4.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.434 3.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.81 3.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.184 0.516 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.95 -40.05 87.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 0.0 109.02 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.705 ' H ' HD21 ' A' ' 3' ' ' ASN . 0.0 OUTLIER -95.67 177.63 5.73 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.284 -0.885 . . . . 0.0 109.704 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.15 -130.37 50.88 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -59.83 127.42 31.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -1.187 . . . . 0.0 108.498 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -60.05 -52.04 67.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.16 -0.963 . . . . 0.0 110.195 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -88.31 166.68 14.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.822 -1.174 . . . . 0.0 109.347 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.94 161.1 52.05 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.18 -1.58 9.05 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.327 2.018 . . . . 0.0 111.45 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 m -58.94 122.68 14.27 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.533 -0.73 . . . . 0.0 109.756 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.62 147.92 38.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.042 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -70.87 109.96 5.33 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 109.461 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -66.09 -12.5 55.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.866 -0.521 . . . . 0.0 110.395 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.527 HD21 ' NH2' ' A' ' 47' ' ' ARG . 6.3 m120 -101.06 -35.21 9.43 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.382 -0.824 . . . . 0.0 112.103 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 7.4 p -131.64 8.29 4.53 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.613 -1.304 . . . . 0.0 110.511 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 54.77 1.61 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 0.0 112.961 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.436 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 6.7 t -63.93 130.55 44.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.012 -1.68 . . . . 0.0 109.639 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -100.26 -10.2 21.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -102.54 120.66 40.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.368 -0.833 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 t -163.33 145.17 7.65 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.725 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.67 -20.3 15.7 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.774 1.65 . . . . 0.0 111.244 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.2 tp -152.87 130.07 11.21 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.383 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -87.47 124.32 33.31 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NH2' ' N7 ' ' B' ' 105' ' ' ' DG' . 27.5 mmt180 -105.32 171.97 7.04 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -135.96 150.38 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.312 -0.868 . . . . 0.0 108.956 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.5 t-20 -91.34 139.49 25.38 Favored Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.49 -11.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.062 1.841 . . . . 0.0 113.052 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.6 mt-10 -99.98 5.64 45.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.939 -1.101 . . . . 0.0 109.663 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 16.1 69.17 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.262 -0.899 . . . . 0.0 111.349 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -93.71 113.49 60.53 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.725 -1.456 . . . . 0.0 108.91 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.9 138.09 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 121.558 1.505 . . . . 0.0 112.952 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.4 mt -131.5 159.99 36.51 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.1 p -86.59 -141.81 0.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.521 -1.362 . . . . 0.0 108.418 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.545 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 31.7 p-10 -81.99 -69.92 0.58 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.757 -1.214 . . . . 0.0 112.106 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.545 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.92 -32.93 73.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.072 -1.018 . . . . 0.0 113.299 -176.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 m -58.01 -56.4 22.55 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.95 98.41 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.309 -1.117 . . . . 0.0 110.309 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.22 -39.99 78.25 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.263 -1.139 . . . . 0.0 112.433 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -79.19 -48.85 13.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.676 -1.265 . . . . 0.0 112.27 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.01 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.019 -1.051 . . . . 0.0 109.917 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.78 -42.82 98.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.161 -0.962 . . . . 0.0 110.363 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.3 mt -70.0 -34.82 73.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.065 -1.022 . . . . 0.0 111.224 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.645 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 54.0 m80 -92.13 -39.59 11.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.754 -1.216 . . . . 0.0 110.93 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.41 18.29 69.48 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 120.567 -1.333 . . . . 0.0 111.56 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.4 m -139.21 174.85 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.925 -1.338 . . . . 0.0 109.444 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -43.84 136.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.407 -0.808 . . . . 0.0 109.566 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.527 ' NH2' HD21 ' A' ' 14' ' ' ASN . 54.8 ttp180 -119.3 98.44 50.48 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.886 -0.509 . . . . 0.0 109.974 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.05 98.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 121.682 1.588 . . . . 0.0 110.937 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.1 -12.37 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 109.33 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 t -60.02 -11.98 7.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.316 -0.865 . . . . 0.0 109.746 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.5 mt -78.35 -15.06 59.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.078 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -55.28 147.01 17.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.974 -1.079 . . . . 0.0 109.628 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.79 152.61 39.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.406 -0.809 . . . . 0.0 109.484 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -88.46 -8.38 55.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.414 -0.804 . . . . 0.0 109.875 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -110.02 123.97 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.341 -0.85 . . . . 0.0 109.355 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.3 mt -115.75 129.96 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.652 -0.655 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.13 129.96 37.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.31 -0.869 . . . . 0.0 109.587 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 58' ' ' LYS . 13.3 mptt -85.69 129.99 34.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.329 -0.857 . . . . 0.0 109.457 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -97.72 167.44 10.95 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.198 -0.939 . . . . 0.0 109.576 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.653 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.0 OUTLIER -75.26 -169.1 0.9 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.967 -178.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -140.09 159.33 42.43 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.54 -0.725 . . . . 0.0 109.498 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.525 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 4.9 p30 -149.94 84.48 1.4 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.276 -0.89 . . . . 0.0 108.997 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -79.74 -13.29 59.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.488 -0.758 . . . . 0.0 110.256 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.51 146.44 20.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.092 -1.005 . . . . 0.0 109.302 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -68.33 -16.37 63.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.321 -0.862 . . . . 0.0 110.034 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.638 -179.574 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.207 3.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.535 4.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.236 4.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 110.24 3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.502 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.803 1 O4'-C1'-N19 111.842 5.053 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.495 4.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.912 1 O4'-C1'-N19 111.965 5.206 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.795 3.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.207 4.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.333 4.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.618 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 1 O4'-C1'-N19 111.003 4.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.928 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.55 3.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.486 ' OP2' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.042 4.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.448 ' N7 ' ' CD1' ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.644 3.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.3 1 O4'-C1'-N19 111.875 5.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.12 0 C3'-C2'-C1' 107.146 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.122 1 O4'-C1'-N19 111.597 4.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.447 4.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.074 4.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.323 0.583 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -78.22 148.28 34.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 109.094 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -155.8 158.79 38.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 109.136 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -54.27 -25.18 32.19 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.563 ' C ' ' O ' ' A' ' 4' ' ' GLY . 81.3 tt0 -0.74 -103.45 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.41 0 C-N-CA 122.949 0.5 . . . . 0.0 112.303 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -79.3 174.45 11.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.504 -1.372 . . . . 0.0 108.96 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -51.48 -40.94 60.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.143 -0.973 . . . . 0.0 110.199 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 10' ' ' THR . . . 132.96 -61.32 0.65 Allowed Glycine 0 N--CA 1.498 2.817 0 C-N-CA 120.297 -0.954 . . . . 0.0 110.918 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -36.46 81.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.92 2.413 . . . . 0.0 112.869 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.564 ' N ' ' O ' ' A' ' 8' ' ' GLY . 51.8 m -64.06 122.75 17.3 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.3 -0.875 . . . . 0.0 109.238 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -145.04 149.3 34.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.411 -0.806 . . . . 0.0 109.266 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.34 111.1 7.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.043 -1.036 . . . . 0.0 108.518 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -67.83 -9.14 42.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.385 -0.822 . . . . 0.0 109.832 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.88 -40.96 9.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.319 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 14.4 p -131.22 4.0 4.36 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.998 -1.064 . . . . 0.0 111.793 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 57.11 3.63 0.15 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.902 -1.124 . . . . 0.0 112.964 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.484 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -65.14 134.56 54.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.126 -1.609 . . . . 0.0 109.224 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -99.8 -5.41 28.65 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.562 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -103.08 117.25 34.15 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.43 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -161.09 142.73 8.91 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 108.955 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.84 -19.62 9.59 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.827 1.685 . . . . 0.0 112.832 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.582 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.9 tp -154.86 123.71 6.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 0.0 109.548 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.92 127.77 32.65 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.429 0.633 . . . . 0.0 111.043 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 28.5 mmt180 -114.49 178.1 4.4 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -147.49 158.35 43.95 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.001 -1.062 . . . . 0.0 110.17 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.579 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.5 t-20 -85.9 142.83 36.89 Favored Pre-proline 0 N--CA 1.491 1.616 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.95 -8.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.701 1.6 . . . . 0.0 112.03 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.5 mt-10 -98.73 7.17 46.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 109.407 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.18 11.15 79.07 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 121.349 -0.844 . . . . 0.0 111.587 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -87.44 136.9 32.72 Favored Pre-proline 0 N--CA 1.497 1.9 0 O-C-N 120.583 -1.539 . . . . 0.0 108.666 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.04 134.56 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.28 1.987 . . . . 0.0 113.388 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -132.55 161.64 33.31 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.36 -166.23 1.54 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 6.4 m120 -73.29 -42.03 62.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.714 -1.241 . . . . 0.0 111.214 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' CB ' ' HZ1' ' A' ' 52' ' ' LYS . . . -67.15 -52.1 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.781 -1.199 . . . . 0.0 111.29 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -62.57 -50.35 71.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.684 -1.26 . . . . 0.0 111.113 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.03 72.09 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.637 -1.268 . . . . 0.0 110.424 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' CD1' ' N7 ' ' C' ' 120' ' ' ' DA' . 69.9 mt -66.2 -39.92 90.02 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.013 -1.287 . . . . 0.0 109.954 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 29.9 t80 -72.58 -48.04 43.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.251 -0.906 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.15 -53.04 61.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 111.102 -176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.845 -1.16 . . . . 0.0 110.641 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.94 -38.22 76.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 110.615 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 77.1 m80 -87.07 -38.95 16.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.748 -1.22 . . . . 0.0 110.518 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.79 10.66 32.8 Favored Glycine 0 N--CA 1.492 2.374 0 O-C-N 120.718 -1.239 . . . . 0.0 111.056 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.7 140.52 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.279 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.94 146.14 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.591 0.71 . . . . 0.0 110.741 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.486 ' NH1' ' OP2' ' C' ' 118' ' ' ' DC' . 26.0 ttm180 -158.33 137.7 8.34 Favored Pre-proline 0 N--CA 1.49 1.551 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -31.22 113.31 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.814 2.343 . . . . 0.0 114.148 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.65 -13.64 59.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -56.7 -11.55 1.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.41 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.86 -30.11 65.1 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HZ1' ' CB ' ' A' ' 35' ' ' ALA . 47.6 tptt -55.04 162.82 1.2 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 153.66 41.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.071 -1.018 . . . . 0.0 109.538 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -88.72 -4.34 58.55 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.326 -0.859 . . . . 0.0 109.033 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.34 129.32 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.0 mt -119.46 130.13 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.37 -0.831 . . . . 0.0 109.846 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -80.64 133.01 35.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.405 -0.809 . . . . 0.0 109.21 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -84.2 129.52 34.89 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' A' ' 59' ' ' ARG . 53.9 mtt-85 -98.59 169.53 9.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.419 -0.8 . . . . 0.0 109.794 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -72.42 -173.08 1.04 Allowed 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 121.714 0.769 . . . . 0.0 110.385 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -140.01 131.36 26.76 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -85.27 142.08 29.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.158 -0.964 . . . . 0.0 109.127 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.2 t -132.76 140.05 47.86 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.495 -0.753 . . . . 0.0 109.67 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.53 140.35 29.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 0.0 108.801 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.8 p30 -142.28 157.49 44.77 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.153 -0.967 . . . . 0.0 109.227 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.596 -179.625 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.547 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.496 3.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.301 3.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.118 4.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.456 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.448 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.071 1 O4'-C1'-N19 111.494 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.182 1 O4'-C1'-N19 111.154 4.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.463 0 O4'-C1'-N19 110.803 3.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.684 3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.499 0 O4'-C1'-N19 110.809 3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.374 1 O4'-C1'-N19 111.086 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.662 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.404 4.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.566 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.113 4.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.566 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.074 1 O4'-C1'-N19 111.255 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 0 O4'-C1'-N19 110.525 3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 1 O4'-C1'-N19 111.62 4.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.397 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.279 1 O4'-C1'-N19 111.346 4.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.066 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 1 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.423 1 O4'-C1'-N19 111.139 4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 0 O4'-C1'-N19 110.648 3.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.747 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -90.57 118.21 29.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.891 -1.131 . . . . 0.0 108.49 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -97.32 3.48 51.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 109.602 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . 104.57 -72.56 0.25 Allowed Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 4' ' ' GLY . 46.5 mt-10 -38.6 163.38 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.036 0.922 . . . . 0.0 111.373 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -145.93 -92.43 0.09 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -64.1 -64.39 0.9 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.403 -0.81 . . . . 0.0 109.816 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.77 -64.79 0.19 Allowed Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.609 -1.281 . . . . 0.0 110.298 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.95 172.45 15.42 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.799 2.333 . . . . 0.0 113.136 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.9 m -77.09 154.89 32.86 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 m -130.19 135.09 47.79 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.124 -0.985 . . . . 0.0 110.492 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -80.63 111.4 17.03 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -66.82 -11.59 55.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.516 -0.74 . . . . 0.0 110.054 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -100.21 -37.23 9.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.923 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 4.8 p -132.75 7.49 4.09 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.666 -1.271 . . . . 0.0 111.482 -178.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 58.28 -3.71 0.07 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.94 -1.1 . . . . 0.0 112.786 176.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.515 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 5.6 t -64.62 133.38 52.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.162 -1.586 . . . . 0.0 110.71 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 27.8 mp0 -104.78 -5.51 21.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.664 -0.648 . . . . 0.0 109.68 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -100.05 114.29 27.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.145 -0.972 . . . . 0.0 109.187 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -165.23 147.83 6.8 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.213 -0.929 . . . . 0.0 109.74 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.92 -17.57 10.74 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.23 1.953 . . . . 0.0 112.408 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.7 tp -155.32 121.02 5.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.17 -0.956 . . . . 0.0 110.53 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -80.95 130.23 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 27.0 mmt180 -109.46 177.85 4.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.515 -0.741 . . . . 0.0 109.973 -178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -137.84 151.29 47.93 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.379 -0.825 . . . . 0.0 110.006 -179.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.5 t-20 -90.58 141.07 26.85 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 109.331 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.99 -11.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.468 1.445 . . . . 0.0 112.167 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.4 mt-10 -97.4 6.95 47.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 0.0 109.283 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' ASN . . . 84.08 9.57 82.1 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.46 -0.775 . . . . 0.0 112.055 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -87.6 146.34 39.15 Favored Pre-proline 0 N--CA 1.497 1.875 0 O-C-N 120.548 -1.56 . . . . 0.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.79 132.34 10.71 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.064 1.842 . . . . 0.0 112.874 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.8 mt -126.27 159.99 31.56 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 p -84.48 -142.43 0.08 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.597 -1.314 . . . . 0.0 108.759 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 6.2 p-10 -81.09 -70.39 0.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.554 -1.341 . . . . 0.0 112.104 -178.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.76 -30.77 71.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.938 -1.101 . . . . 0.0 112.918 -176.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 m -58.61 -56.97 15.31 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.139 -1.601 . . . . 0.0 109.839 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.76 -45.79 95.52 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.12 -40.01 90.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.225 -1.162 . . . . 0.0 110.933 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.4 t80 -77.82 -49.76 13.66 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.303 -0.873 . . . . 0.0 111.336 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.48 -50.04 74.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.892 -1.13 . . . . 0.0 110.483 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -59.96 -45.17 93.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.068 -1.02 . . . . 0.0 110.733 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.0 -30.9 68.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.126 -0.984 . . . . 0.0 110.258 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.9 m80 -88.97 -38.29 14.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.92 -1.112 . . . . 0.0 110.611 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 10.02 55.29 Favored Glycine 0 N--CA 1.492 2.432 0 O-C-N 120.59 -1.319 . . . . 0.0 111.02 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 m -141.63 146.77 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.888 -1.36 . . . . 0.0 110.097 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.4 m -58.6 145.23 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.3 -0.875 . . . . 0.0 109.067 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.9 tpp180 -149.8 130.85 7.2 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 108.626 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.4 Cg_exo -34.13 116.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 122.09 1.86 . . . . 0.0 113.046 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.84 -7.25 2.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 48' ' ' PRO . 13.9 m -58.57 -17.57 22.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.22 -32.99 69.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.312 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 53' ' ' THR . 24.6 ttpp -57.87 160.51 4.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 108.8 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.478 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -142.94 150.13 39.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.298 -0.876 . . . . 0.0 109.695 178.398 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -83.01 -6.83 59.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.562 -0.711 . . . . 0.0 109.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.73 127.75 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 109.43 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -119.67 131.15 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -81.07 133.17 35.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -82.88 130.33 35.12 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -99.86 169.94 8.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.093 -1.004 . . . . 0.0 109.225 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -81.12 -161.75 0.43 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.881 0.848 . . . . 0.0 111.048 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -136.44 145.85 45.7 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -82.15 123.34 28.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.038 -1.039 . . . . 0.0 109.466 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.1 t -157.78 144.95 18.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.586 -0.696 . . . . 0.0 109.203 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.95 122.26 32.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.192 -0.943 . . . . 0.0 109.854 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -155.75 145.87 21.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.154 -0.966 . . . . 0.0 109.684 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.451 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.418 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 C3'-C2'-C1' 106.854 2.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-N19 110.288 3.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.46 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.876 3.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.449 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.038 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.631 4.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.238 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 C3'-C2'-C1' 107.052 3.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.393 1 O4'-C1'-N19 111.073 4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.149 4.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.635 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.327 0 O4'-C1'-N19 110.669 3.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 0 O4'-C1'-N19 110.453 3.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.513 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.505 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.459 0 O4'-C1'-N19 110.987 3.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 0 O4'-C1'-N19 110.684 3.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.036 1 O4'-C1'-N19 111.422 4.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.423 3.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 1 O4'-C1'-N19 111.343 4.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.597 3.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 tpp . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -60.39 -39.95 89.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.357 -0.839 . . . . 0.0 108.927 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -77.69 142.63 38.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.358 -0.839 . . . . 0.0 109.555 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.58 -76.0 0.34 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 4.9 pm0 -151.01 162.69 40.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.396 -1.061 . . . . 0.0 109.704 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' H ' ' CD ' ' A' ' 6' ' ' GLN . 26.6 mp0 -59.52 156.48 13.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 108.693 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.38 -42.36 95.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.27 -0.894 . . . . 0.0 109.235 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.0 175.02 30.9 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.19 109.83 1.23 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.473 2.115 . . . . 0.0 111.704 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.6 m -60.28 126.06 26.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.407 -0.808 . . . . 0.0 109.978 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.9 m -146.32 141.19 27.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.515 -0.741 . . . . 0.0 109.113 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.26 109.65 3.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.675 -1.266 . . . . 0.0 109.164 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.7 p -66.25 -10.23 40.1 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.559 -0.713 . . . . 0.0 109.891 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -98.48 -39.82 8.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.852 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.2 p -131.7 8.03 4.49 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.854 -1.154 . . . . 0.0 111.413 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 54.57 4.33 0.06 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.854 -1.154 . . . . 0.0 112.707 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.453 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -64.51 133.32 52.15 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.078 -1.638 . . . . 0.0 109.98 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -101.54 -8.69 21.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.386 -0.821 . . . . 0.0 109.498 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -101.08 117.92 35.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 109.034 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.6 t -163.2 142.57 6.71 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 120.981 -1.074 . . . . 0.0 110.147 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.78 -20.22 15.56 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.123 1.882 . . . . 0.0 111.524 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.6 tp -154.61 125.02 6.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.269 -0.895 . . . . 0.0 110.273 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -83.55 127.48 33.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.732 -0.605 . . . . 0.0 109.587 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 29.6 mmt180 -107.77 173.82 6.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.437 -0.79 . . . . 0.0 109.691 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -138.11 153.91 49.24 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.7 t-20 -91.84 141.02 25.06 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.361 -0.837 . . . . 0.0 108.983 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.41 -12.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.607 1.538 . . . . 0.0 112.49 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -100.18 6.06 44.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.192 -0.943 . . . . 0.0 109.552 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 21.99 54.34 Favored Glycine 0 N--CA 1.492 2.427 0 O-C-N 121.463 -0.773 . . . . 0.0 111.611 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -96.95 110.61 54.55 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.695 -1.474 . . . . 0.0 109.365 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.16 136.65 30.4 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.116 1.877 . . . . 0.0 113.412 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -134.31 161.12 35.85 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.53 -142.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.562 -1.336 . . . . 0.0 107.987 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.496 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 19.6 p-10 -82.01 -69.55 0.61 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.774 -1.204 . . . . 0.0 111.895 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.39 -36.98 84.0 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.2 m -56.93 -54.32 47.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.952 -1.717 . . . . 0.0 110.066 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.52 -45.12 96.88 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.14 -40.4 82.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.142 -1.211 . . . . 0.0 110.518 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.7 t80 -79.34 -50.96 10.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -0.864 . . . . 0.0 112.296 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.01 -48.8 80.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.129 -0.982 . . . . 0.0 110.126 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -59.94 -46.19 90.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.023 -1.048 . . . . 0.0 109.747 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.95 -33.8 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.247 -0.908 . . . . 0.0 110.851 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.635 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.3 m80 -90.87 -38.55 12.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.622 -1.298 . . . . 0.0 111.192 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.29 9.12 28.41 Favored Glycine 0 N--CA 1.492 2.393 0 O-C-N 120.466 -1.396 . . . . 0.0 110.551 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.13 143.65 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 109.738 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.03 146.09 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.467 -0.77 . . . . 0.0 109.884 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 48' ' ' PRO . 11.3 tpp180 -150.05 133.03 8.37 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 50' ' ' SER . 31.3 Cg_exo -33.72 108.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.112 1.875 . . . . 0.0 112.974 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.37 -6.94 0.75 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 48' ' ' PRO . 71.0 m -60.9 -11.28 7.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.581 -0.7 . . . . 0.0 110.354 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.99 -30.97 68.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.813 -1.179 . . . . 0.0 108.893 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.9 ttpt -55.83 159.05 3.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 0.0 109.824 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -147.07 154.4 41.13 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.602 0.715 . . . . 0.0 109.642 178.688 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -85.78 -7.38 58.79 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.9 125.52 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -117.35 131.75 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.554 -0.716 . . . . 0.0 109.929 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -71.02 123.13 21.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -82.46 132.25 35.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.186 -0.946 . . . . 0.0 109.803 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -102.91 169.99 8.25 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -70.06 -175.92 1.04 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.988 0.899 . . . . 0.0 111.404 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -144.9 170.66 15.71 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -143.26 -1.04 1.07 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.051 -1.031 . . . . 0.0 109.027 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.5 p -97.08 4.38 51.37 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.513 -0.742 . . . . 0.0 109.708 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.41 90.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.161 -0.962 . . . . 0.0 110.254 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -119.21 138.35 53.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.518 -0.738 . . . . 0.0 110.01 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.333 179.304 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.677 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.419 3.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 0 O4'-C1'-N19 110.475 3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C1'-N19 110.757 3.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.359 3.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.438 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.987 1 O4'-C1'-N19 111.625 4.782 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.037 1 O4'-C1'-N19 111.468 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.401 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.069 1 O4'-C1'-N19 111.703 4.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.951 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.349 0 O4'-C1'-N19 110.45 3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.456 1 O4'-C1'-N19 111.409 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-N19 111.051 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.137 1 O4'-C1'-N19 111.388 4.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.124 4.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.35 4.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.949 0 O4'-C1'-N19 110.812 3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 0 O4'-C1'-N19 110.836 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.834 1 O4'-C1'-N19 111.043 4.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.782 3.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.943 1 O4'-C1'-N19 111.759 4.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.12 0 C3'-C2'-C1' 107.02 3.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 1 O4'-C1'-N19 111.288 4.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.465 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.173 0.511 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 54.18 22.34 3.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.598 -0.689 . . . . 0.0 109.168 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -156.23 146.88 21.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.277 -0.889 . . . . 0.0 109.606 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.69 42.77 0.02 OUTLIER Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.68 6.63 46.86 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.202 -1.175 . . . . 0.0 109.559 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.91 -163.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.15 -0.968 . . . . 0.0 109.665 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -60.01 -40.21 88.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.205 -0.935 . . . . 0.0 110.343 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.23 146.72 11.49 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.93 163.79 23.02 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.409 2.073 . . . . 0.0 112.175 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -62.5 123.18 17.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.265 -0.897 . . . . 0.0 109.505 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -138.76 152.14 47.68 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.395 -0.816 . . . . 0.0 109.185 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -75.19 111.63 10.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.035 -1.04 . . . . 0.0 109.38 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.7 p -67.63 -9.98 48.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.718 -0.614 . . . . 0.0 109.986 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -98.23 -42.71 7.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.204 -0.935 . . . . 0.0 110.583 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.9 p -126.72 2.33 6.75 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.935 -1.103 . . . . 0.0 111.198 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 57.28 3.43 0.16 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.051 . . . . 0.0 112.688 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.455 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 5.8 t -64.55 131.04 45.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.281 -1.512 . . . . 0.0 109.838 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -98.21 -3.91 36.53 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -105.32 115.92 31.07 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t -164.22 143.5 6.11 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -77.16 -17.96 14.67 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.035 1.823 . . . . 0.0 112.897 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.7 tp -156.56 125.31 5.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.738 -1.226 . . . . 0.0 110.723 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -81.99 123.89 29.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 27.8 mmt180 -105.46 178.32 4.59 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' HH11 ' A' ' 25' ' ' ARG . 0.6 OUTLIER -139.13 152.15 47.24 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.834 -179.146 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.3 t30 -92.42 141.78 25.21 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 109.527 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -43.67 -11.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.011 1.807 . . . . 0.0 112.501 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.6 mt-10 -96.78 6.76 48.05 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.246 -0.909 . . . . 0.0 109.463 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.08 9.23 82.7 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -88.46 148.52 42.44 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 120.62 -1.517 . . . . 0.0 108.689 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.43 137.29 10.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.456 2.104 . . . . 0.0 112.983 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.1 mt -130.06 160.17 34.53 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.414 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.8 p -83.16 -140.03 0.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.333 -1.48 . . . . 0.0 109.032 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.541 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 22.6 p-10 -82.72 -70.64 0.54 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.92 -1.113 . . . . 0.0 112.158 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.541 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.58 -35.0 79.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.914 -1.116 . . . . 0.0 113.212 -177.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.1 m -56.99 -55.71 31.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.221 -1.549 . . . . 0.0 110.113 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.6 -44.17 97.94 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.022 -1.085 . . . . 0.0 110.633 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.4 mt -66.75 -39.98 88.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.093 -1.239 . . . . 0.0 111.203 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.633 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 45.2 t80 -72.63 -49.21 33.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.291 -0.881 . . . . 0.0 111.195 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.59 -49.77 76.21 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.402 -0.811 . . . . 0.0 110.823 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.99 -46.41 89.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.963 -1.085 . . . . 0.0 109.665 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.91 -37.44 75.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.598 -0.689 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.633 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 65.8 m80 -88.03 -41.07 13.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.634 -1.291 . . . . 0.0 110.494 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.9 7.63 37.33 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.652 -1.28 . . . . 0.0 110.154 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.86 142.8 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.246 -1.15 . . . . 0.0 109.951 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -59.21 139.29 19.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.397 -0.814 . . . . 0.0 108.999 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -147.31 130.52 8.09 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 50' ' ' SER . 39.6 Cg_exo -36.4 116.04 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 122.113 1.875 . . . . 0.0 113.002 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.64 -6.43 7.73 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 48' ' ' PRO . 18.6 t -57.05 -15.35 5.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.89 -37.96 64.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.186 -0.946 . . . . 0.0 109.318 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 53' ' ' THR . 29.8 tttp -56.42 167.05 0.75 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.063 -1.023 . . . . 0.0 109.347 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.403 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -148.01 155.75 41.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.348 -0.845 . . . . 0.0 109.584 178.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.87 -0.18 57.13 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.81 127.47 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -124.91 136.3 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -86.77 138.87 31.26 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.357 -0.839 . . . . 0.0 108.795 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -84.32 135.74 34.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' HG2' HH11 ' A' ' 59' ' ' ARG . 5.4 mmt-85 -100.65 166.77 10.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.876 . . . . 0.0 109.437 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -73.0 -168.82 0.52 Allowed 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.689 0.757 . . . . 0.0 110.088 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' A' ' 61' ' ' ARG . 27.7 mtt-85 -145.97 160.24 42.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.561 -0.712 . . . . 0.0 109.111 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -147.47 65.43 1.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.137 -0.977 . . . . 0.0 109.099 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -160.03 163.64 33.84 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 0.0 109.269 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.96 142.35 49.41 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -148.97 151.69 35.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.116 -0.99 . . . . 0.0 109.255 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.288 -179.517 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 C3'-C2'-C1' 107.117 3.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.177 2.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.646 0 O4'-C1'-N19 110.674 3.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.574 3.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.51 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.236 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.462 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.439 4.548 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 1 O4'-C1'-N19 111.293 4.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.263 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.913 1 O4'-C1'-N19 111.293 4.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.925 0 O4'-C1'-N19 110.316 3.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.607 3.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.149 0 O4'-C1'-N19 110.851 3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.53 4.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.554 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.084 1 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.787 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.472 4.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.495 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.784 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.135 1 O4'-C1'-N19 111.507 4.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.462 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.879 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 1.633 1 O4'-C1'-N19 111.443 4.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.357 3.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.007 1 O4'-C1'-N19 111.463 4.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.449 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 2' ' ' LYS . 5.2 mpp? . . . . . 0 N--CA 1.494 1.769 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 1' ' ' MET . 28.3 ttmt 57.16 108.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.238 -0.914 . . . . 0.0 109.577 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 5' ' ' GLU . 95.1 m-20 -60.22 134.74 57.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.114 -0.991 . . . . 0.0 109.618 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.88 29.06 1.57 Allowed Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 3' ' ' ASN . 70.0 mm-40 -139.93 160.84 39.0 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.413 -1.051 . . . . 0.0 108.597 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -49.97 145.37 5.7 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.044 -1.035 . . . . 0.0 110.282 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -67.38 -39.78 85.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.523 -0.735 . . . . 0.0 109.093 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.36 164.05 27.37 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.74 103.97 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.402 2.068 . . . . 0.0 110.555 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.7 m -65.29 115.21 5.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.354 -0.842 . . . . 0.0 110.458 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.3 m -144.84 148.47 34.02 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.5 t -76.03 110.72 10.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.144 -0.972 . . . . 0.0 109.389 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.6 p -66.9 -11.12 55.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.683 -0.635 . . . . 0.0 110.492 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -98.07 -38.67 9.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.359 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.541 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 10.2 p -132.71 4.63 3.91 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 55.73 6.61 0.21 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 112.472 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.541 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 15.0 t -66.12 130.35 42.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 119.985 -1.697 . . . . 0.0 109.697 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.495 HE21 ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -99.97 -4.44 30.08 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.065 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -105.47 115.44 30.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.496 -0.753 . . . . 0.0 109.259 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -165.46 147.82 6.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -78.7 -18.19 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.115 1.876 . . . . 0.0 112.665 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.1 tp -152.76 125.03 8.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.12 -0.988 . . . . 0.0 110.289 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -86.51 127.78 34.91 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 121.417 0.627 . . . . 0.0 109.53 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 30.5 mmt180 -109.41 176.93 4.9 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HG2' HH11 ' A' ' 25' ' ' ARG . 13.9 ptt-85 -136.53 153.19 51.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.407 -0.808 . . . . 0.0 110.039 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.6 t-20 -88.96 138.86 29.05 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.031 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.78 -11.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.564 1.51 . . . . 0.0 111.718 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.7 mt-10 -101.1 5.62 42.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.33 -0.857 . . . . 0.0 109.395 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 12.64 70.82 Favored Glycine 0 N--CA 1.491 2.356 0 O-C-N 121.52 -0.737 . . . . 0.0 111.877 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -93.55 114.6 63.37 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 120.381 -1.658 . . . . 0.0 109.195 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.08 141.4 22.82 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.461 2.107 . . . . 0.0 114.3 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -134.57 159.9 39.76 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.4 p -85.93 -148.06 0.12 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.48 -1.387 . . . . 0.0 108.149 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.503 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 14.4 p-10 -77.12 -67.45 0.71 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.009 -1.057 . . . . 0.0 111.906 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.21 -37.6 87.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 0.0 113.241 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.46 -55.67 32.08 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 119.884 -1.76 . . . . 0.0 110.271 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.2 96.55 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.371 -1.091 . . . . 0.0 110.371 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.1 mt -67.44 -40.26 85.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.43 -1.041 . . . . 0.0 110.067 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 59.3 t80 -75.8 -46.35 31.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.497 -0.752 . . . . 0.0 111.61 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.57 -50.15 70.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.12 -45.54 92.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 0.0 110.342 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.51 -33.25 69.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.065 -1.022 . . . . 0.0 111.955 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.641 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 50.0 m80 -91.8 -38.49 12.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.563 -1.335 . . . . 0.0 111.521 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.08 5.12 25.17 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.637 -1.289 . . . . 0.0 111.281 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.3 141.43 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.121 -1.223 . . . . 0.0 109.596 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -55.87 144.67 7.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 CA-C-O 121.402 0.62 . . . . 0.0 110.03 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.2 tpt180 -150.71 129.19 6.04 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.5 Cg_exo -31.29 108.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.164 1.909 . . . . 0.0 113.337 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.07 -12.94 9.46 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -60.0 -9.99 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.63 -37.15 73.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.968 -1.082 . . . . 0.0 109.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -54.06 166.65 0.35 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.551 ' HG1' ' N ' ' A' ' 54' ' ' ASP . 5.7 t -148.15 155.86 41.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.863 -1.148 . . . . 0.0 110.109 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.551 ' N ' ' HG1' ' A' ' 53' ' ' THR . 94.4 m-20 -85.99 -0.8 56.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.6 -0.688 . . . . 0.0 110.199 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.2 p -118.58 129.6 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.303 -0.873 . . . . 0.0 108.889 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.42 HG22 HD11 ' A' ' 56' ' ' ILE . 97.2 mt -121.04 135.23 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.65 129.89 35.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -0.861 . . . . 0.0 109.609 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -82.69 130.52 35.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.977 -1.077 . . . . 0.0 108.353 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -104.04 170.6 7.82 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.338 -0.851 . . . . 0.0 109.527 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -74.67 -161.54 0.13 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.824 0.821 . . . . 0.0 110.382 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -150.82 153.66 35.82 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -87.55 139.82 30.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.079 -1.013 . . . . 0.0 108.573 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.0 m -81.29 133.16 35.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.99 -1.069 . . . . 0.0 109.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.15 128.66 35.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.148 -0.97 . . . . 0.0 108.8 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.21 -43.13 92.55 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.438 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.525 179.705 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.711 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.623 0 O4'-C1'-N19 110.249 3.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.043 4.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.401 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.134 1 O4'-C1'-N19 111.451 4.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.412 ' H62' ' CD2' ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.287 4.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.064 1 O4'-C1'-N19 112.099 5.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.424 0 O4'-C1'-N19 110.777 3.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.482 1 O4'-C1'-N19 111.191 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.228 1 O4'-C1'-N19 111.413 4.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.374 1 O4'-C1'-N19 111.295 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O4'-C1'-N19 110.991 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.15 0 O4'-C1'-N19 110.489 3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 0 O4'-C1'-N19 110.718 3.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.055 0 O4'-C1'-N19 110.416 3.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.488 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.924 3.905 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.525 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.53 2.435 0 O4'-C1'-N19 110.546 3.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 1.701 0 O4'-C1'-N19 110.938 3.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 0 O4'-C1'-N19 110.454 3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O4'-C1'-N19 110.87 3.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.863 3.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 0 O4'-C1'-N19 110.434 3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.463 3.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.2 mmm . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.303 0.573 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -97.35 129.04 44.65 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -67.79 -53.68 25.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.198 -0.938 . . . . 0.0 110.335 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.97 87.89 0.01 OUTLIER Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.47 143.23 55.08 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.991 -1.299 . . . . 0.0 109.633 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.404 ' CG ' ' H ' ' A' ' 7' ' ' ASN . 3.6 pt20 -78.82 -105.55 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.404 ' H ' ' CG ' ' A' ' 6' ' ' GLN . 51.7 t30 -63.99 -60.16 3.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -0.866 . . . . 0.0 108.941 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.65 -76.99 0.28 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.55 120.56 6.25 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.2 m -53.82 122.14 9.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.339 -0.85 . . . . 0.0 109.286 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.8 m -131.4 141.44 49.86 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.637 0.732 . . . . 0.0 110.194 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.2 t -71.74 112.53 7.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.52 -0.738 . . . . 0.0 109.041 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -68.61 -9.72 51.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.714 -0.616 . . . . 0.0 109.993 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -97.33 -39.1 9.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 0.0 110.169 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 11.2 p -132.1 9.11 4.44 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.854 -1.154 . . . . 0.0 111.439 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 55.85 0.85 0.05 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.626 -1.296 . . . . 0.0 112.509 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.445 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 7.1 t -63.32 128.32 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 119.985 -1.697 . . . . 0.0 108.719 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -100.46 -8.88 22.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.655 -0.653 . . . . 0.0 109.245 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -99.85 119.6 38.45 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 t -162.22 145.42 8.98 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -84.2 -15.82 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.4 2.067 . . . . 0.0 111.497 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 tp -151.89 123.18 7.73 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.85 0.833 . . . . 0.0 109.942 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -87.21 127.06 35.16 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.571 0.7 . . . . 0.0 110.295 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 27.9 mmt180 -107.48 175.83 5.36 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -140.18 151.16 45.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.066 -1.021 . . . . 0.0 109.441 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLU . 26.4 t30 -92.03 140.76 24.75 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.296 -0.878 . . . . 0.0 109.093 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.64 1.56 . . . . 0.0 112.623 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' ASN . 92.9 mt-10 -98.55 3.85 48.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.107 -0.996 . . . . 0.0 109.068 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.69 12.9 71.11 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -92.14 138.21 24.59 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.77 -1.429 . . . . 0.0 108.339 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.76 137.29 19.89 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.982 1.788 . . . . 0.0 112.327 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.6 mt -128.37 159.98 33.65 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -83.01 -159.74 0.36 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.525 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 37.5 p-10 -79.39 -43.26 23.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.797 -1.189 . . . . 0.0 110.976 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.528 ' C ' HH12 ' A' ' 47' ' ' ARG . . . -67.29 -50.11 61.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.04 -1.038 . . . . 0.0 112.028 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.6 m -59.74 -53.96 51.91 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.678 -1.263 . . . . 0.0 110.293 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.43 -46.9 92.44 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.784 -1.327 . . . . 0.0 109.784 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' CD2' ' H62' ' B' ' 106' ' ' ' DA' . 79.5 mt -68.84 -41.01 79.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.974 -1.309 . . . . 0.0 110.703 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.6 t80 -80.31 -48.33 13.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.231 -0.918 . . . . 0.0 111.578 -178.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.17 -48.18 82.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.305 -0.872 . . . . 0.0 109.853 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -59.96 -45.93 91.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.816 -1.178 . . . . 0.0 110.305 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.97 -31.02 68.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.422 -0.799 . . . . 0.0 110.64 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.5 m80 -92.54 -34.83 13.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.86 -1.15 . . . . 0.0 111.149 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.71 15.43 54.23 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 120.669 -1.269 . . . . 0.0 111.024 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.69 170.41 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.061 -1.258 . . . . 0.0 109.47 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.6 m -49.39 143.3 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.182 -0.949 . . . . 0.0 110.431 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.528 HH12 ' C ' ' A' ' 35' ' ' ALA . 40.8 ttt180 -112.13 132.96 21.81 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' A' ' 50' ' ' SER . 30.6 Cg_endo -66.14 88.21 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 120.794 0.996 . . . . 0.0 110.438 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' C ' ' H ' ' A' ' 51' ' ' LEU . 47.8 mt -57.36 -10.42 1.36 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.329 -0.857 . . . . 0.0 109.112 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 52' ' ' LYS . 77.4 p -59.53 -10.02 3.04 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 49' ' ' LEU . 94.4 mt -78.99 16.5 0.9 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -60.66 121.16 11.52 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.497 0.665 . . . . 0.0 110.484 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.525 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 1.7 t -145.27 142.66 29.68 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.855 0.836 . . . . 0.0 110.08 178.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -93.03 0.01 57.25 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.525 ' H ' ' HG1' ' A' ' 53' ' ' THR . 94.9 t -114.43 129.97 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.56 -0.713 . . . . 0.0 109.916 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.41 133.23 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -68.78 124.82 24.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.194 -0.941 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -88.3 133.92 33.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -101.42 169.32 8.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.321 -0.862 . . . . 0.0 108.941 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -76.22 -168.15 0.89 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.474 -0.766 . . . . 0.0 110.898 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -141.84 146.48 35.89 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -82.11 149.97 27.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.397 -0.815 . . . . 0.0 109.028 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.5 m -60.32 138.11 58.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.939 -1.101 . . . . 0.0 109.936 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.64 160.03 25.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.215 -0.928 . . . . 0.0 109.864 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -130.73 145.3 51.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.594 -0.691 . . . . 0.0 109.471 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.486 179.803 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.403 " O5'" ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.466 0 C3'-C2'-C1' 106.992 3.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 1 O4'-C1'-N19 111.339 4.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.126 2.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.45 ' O6 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.485 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.085 1 O4'-C1'-N19 111.285 4.356 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.4 " O5'" H2'' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.305 1 O4'-C1'-N19 111.948 5.184 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.091 4.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.856 3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 O4'-C1'-N19 110.966 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.18 4.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.59 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.504 3.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 O4'-C1'-N19 110.561 3.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.421 0 O4'-C1'-N19 110.466 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.518 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.53 2.351 1 O4'-C1'-N19 111.084 4.106 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.451 4.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.485 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.642 3.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.45 ' C4 ' ' O6 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 2.002 1 O4'-C1'-N19 111.297 4.371 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.209 0 C3'-C2'-C1' 107.197 3.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.27 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.987 0 O4'-C1'-N19 110.331 3.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 1 O4'-C1'-N19 111.219 4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' H1 ' ' H ' ' A' ' 2' ' ' LYS . 61.6 mtt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.118 0.485 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.43 ' NZ ' ' ND2' ' A' ' 3' ' ' ASN . 22.3 pttp -60.08 -35.78 75.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.242 -0.912 . . . . 0.0 109.458 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.43 ' ND2' ' NZ ' ' A' ' 2' ' ' LYS . 97.9 m-20 -104.77 19.22 20.86 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.36 -122.3 17.74 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -134.7 105.31 6.41 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.437 -1.037 . . . . 0.0 109.117 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -90.05 -79.97 0.33 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.229 -0.92 . . . . 0.0 109.396 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -141.13 -134.39 0.1 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.054 -1.029 . . . . 0.0 109.394 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 10' ' ' THR . . . -137.51 74.22 0.41 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.58 66.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.76 0 C-N-CA 123.491 2.794 . . . . 0.0 113.66 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.544 ' N ' ' O ' ' A' ' 8' ' ' GLY . 99.4 m -61.87 120.0 9.89 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.891 -1.131 . . . . 0.0 108.864 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -141.03 147.77 39.17 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.498 -0.751 . . . . 0.0 109.141 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.1 t -73.63 112.82 10.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.047 -1.033 . . . . 0.0 109.709 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -67.83 -11.77 59.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.829 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.07 -40.04 9.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 110.282 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.6 p -131.64 5.55 4.32 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.826 -1.171 . . . . 0.0 111.667 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 58.04 1.28 0.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.819 -1.176 . . . . 0.0 112.589 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.448 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -63.5 131.51 48.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.185 -1.572 . . . . 0.0 109.606 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -102.3 -7.95 21.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.582 -0.699 . . . . 0.0 109.413 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.3 m -104.1 120.78 41.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.401 -0.812 . . . . 0.0 109.072 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.646 ' CB ' HD21 ' A' ' 34' ' ' ASN . 0.1 OUTLIER -165.02 150.34 8.41 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.218 -0.926 . . . . 0.0 109.544 -179.739 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.93 -17.56 10.73 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.886 1.724 . . . . 0.0 111.854 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.0 tp -156.22 126.97 6.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.227 -0.92 . . . . 0.0 110.238 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -85.23 129.18 34.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.758 -0.589 . . . . 0.0 109.697 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 29.7 mmt180 -108.23 176.38 5.15 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.537 ' N ' ' CD ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -140.1 151.23 45.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.389 -0.82 . . . . 0.0 109.05 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.562 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.8 t-20 -88.96 141.01 29.25 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.271 -0.893 . . . . 0.0 109.158 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -44.38 -10.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.735 1.623 . . . . 0.0 112.032 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.7 mm-40 -97.49 5.81 49.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.197 -0.94 . . . . 0.0 109.073 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ASN . . . 82.9 15.59 72.31 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -91.97 138.95 24.45 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 120.734 -1.45 . . . . 0.0 108.489 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.0 131.03 15.04 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.922 1.748 . . . . 0.0 112.878 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -126.62 158.73 35.55 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -82.11 -144.58 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.426 -1.421 . . . . 0.0 108.818 178.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.646 HD21 ' CB ' ' A' ' 20' ' ' THR . 2.8 p30 -80.98 -66.2 0.92 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.835 -1.166 . . . . 0.0 111.857 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.485 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -64.58 -36.94 85.85 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.23 -55.55 33.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.033 -1.667 . . . . 0.0 110.311 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.28 96.1 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.6 mt -68.07 -40.02 82.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.03 -1.276 . . . . 0.0 109.806 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 71.9 t80 -74.2 -52.17 13.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.477 -0.765 . . . . 0.0 111.407 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 tp -60.88 -50.36 73.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.951 -1.093 . . . . 0.0 110.268 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.3 -48.29 82.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.857 -1.152 . . . . 0.0 110.945 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.15 -32.37 70.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.026 -1.047 . . . . 0.0 110.768 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 77.9 m80 -90.96 -39.01 12.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.551 -1.343 . . . . 0.0 110.427 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.98 10.08 31.19 Favored Glycine 0 N--CA 1.491 2.35 0 O-C-N 120.857 -1.152 . . . . 0.0 111.644 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.63 141.57 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.908 -1.348 . . . . 0.0 110.201 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.24 140.64 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 109.822 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -151.75 131.24 6.76 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ARG . 30.0 Cg_exo -33.52 112.97 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.228 0 C-N-CA 122.034 1.823 . . . . 0.0 112.788 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.77 -7.93 2.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.2 p -60.03 -12.37 7.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.388 -0.82 . . . . 0.0 109.858 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.023 -1.048 . . . . 0.0 108.561 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -57.45 162.73 2.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 108.693 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.93 151.34 38.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.109 -0.994 . . . . 0.0 109.608 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -88.5 -3.44 58.81 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.5 t -111.99 130.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -122.09 134.93 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.603 -0.686 . . . . 0.0 110.355 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -80.3 134.02 36.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.87 . . . . 0.0 108.705 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.89 127.52 32.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.15 -0.969 . . . . 0.0 109.038 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -99.45 166.54 11.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.433 -0.792 . . . . 0.0 108.966 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.54 -165.51 0.62 Allowed 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 122.144 0.973 . . . . 0.0 110.69 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -144.09 166.8 23.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' N ' HD21 ' A' ' 62' ' ' ASN . 1.8 m120 -81.26 165.07 21.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.128 -0.983 . . . . 0.0 109.718 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -81.91 124.18 29.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.58 -7.21 59.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 108.869 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -59.99 -40.09 87.95 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.517 -0.739 . . . . 0.0 110.171 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.491 1.595 0 O-C-N 120.834 -1.166 . . . . 0.0 109.085 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.52 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 C3'-C2'-C1' 107.137 3.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.216 0 O4'-C1'-N19 110.534 3.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.478 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.068 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.506 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.255 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.21 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.671 0 O4'-C1'-N19 110.896 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.96 3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.388 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.29 4.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.931 3.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.654 1 O4'-C1'-N19 111.146 4.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.42 1 O4'-C1'-N19 111.15 4.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.178 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.506 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.28 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.298 1 O4'-C1'-N19 111.301 4.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 1 O4'-C1'-N19 111.063 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.277 1 O4'-C1'-N19 111.595 4.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 O4'-C1'-N19 110.623 3.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.545 3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' A' ' 4' ' ' GLY . 12.8 ttmm -114.57 141.73 47.36 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.558 -0.714 . . . . 0.0 109.196 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 6' ' ' GLN . 43.0 p-10 -65.04 -11.63 41.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.287 -0.883 . . . . 0.0 110.645 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.557 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . 87.64 -163.86 34.05 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.557 ' C ' ' O ' ' A' ' 4' ' ' GLY . 99.8 mt-10 1.89 -87.66 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.478 0 C-N-CA 122.992 0.517 . . . . 0.0 112.098 -178.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 4' ' ' GLY . 3.2 mp0 -59.62 138.93 57.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.692 -1.255 . . . . 0.0 109.431 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -69.73 -40.69 76.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.101 -1.0 . . . . 0.0 109.826 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.01 174.35 18.72 Favored Glycine 0 N--CA 1.497 2.704 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -58.15 121.06 9.36 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.495 2.13 . . . . 0.0 111.789 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m -62.07 121.15 12.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.292 -0.88 . . . . 0.0 110.187 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -144.44 141.6 29.73 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.5 t -66.71 107.53 2.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.95 -1.094 . . . . 0.0 109.464 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -67.96 -10.48 53.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.529 -0.732 . . . . 0.0 109.508 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -96.18 -37.98 10.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.93 . . . . 0.0 110.503 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.37 10.05 3.76 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.799 -1.188 . . . . 0.0 110.942 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 58.39 6.06 0.51 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.37 -0.831 . . . . 0.0 113.125 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -60.9 124.83 21.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.053 -1.654 . . . . 0.0 109.595 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -99.02 -0.65 41.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.539 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -117.86 126.51 52.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.466 -0.771 . . . . 0.0 109.731 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.405 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 3.4 t -165.8 147.84 6.27 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.729 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.98 -18.04 10.4 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.845 1.697 . . . . 0.0 110.973 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.2 tp -151.6 126.01 9.42 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.43 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.405 ' CE2' ' CG2' ' A' ' 20' ' ' THR . 78.3 m95 -86.82 125.86 34.25 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.871 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 29.5 mmt180 -105.45 170.11 8.07 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -133.75 150.21 51.48 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.425 -0.797 . . . . 0.0 109.828 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.3 t30 -93.06 141.72 24.44 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 109.573 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -45.27 -11.09 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.766 1.644 . . . . 0.0 112.149 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.7 mt-10 -97.2 5.08 50.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 109.301 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.33 12.53 80.44 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -91.91 143.18 27.36 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.815 -1.403 . . . . 0.0 108.721 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.08 139.64 21.79 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.638 1.558 . . . . 0.0 112.756 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.8 mt -129.17 157.78 40.84 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.2 p -82.1 -144.39 0.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.246 -1.534 . . . . 0.0 107.967 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.757 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -81.52 -65.39 1.02 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.872 -1.143 . . . . 0.0 111.026 -179.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.757 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.8 -38.17 89.62 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.4 m -58.47 -56.01 27.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 119.997 -1.689 . . . . 0.0 109.946 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.36 -46.78 93.7 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.65 -41.2 88.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -1.127 . . . . 0.0 111.241 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 63.7 t80 -77.79 -50.11 12.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 111.314 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.24 -50.09 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.102 -0.999 . . . . 0.0 110.089 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.91 -45.47 92.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.203 -0.935 . . . . 0.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.95 -30.38 67.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.087 -1.008 . . . . 0.0 111.09 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 58.2 m80 -92.86 -38.72 11.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.591 -1.318 . . . . 0.0 110.921 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.15 15.99 61.6 Favored Glycine 0 N--CA 1.492 2.419 0 O-C-N 120.678 -1.264 . . . . 0.0 111.441 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -138.41 151.3 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.853 -1.381 . . . . 0.0 110.175 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.33 150.93 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 109.191 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -160.53 127.81 2.66 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 109.274 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -38.4 110.85 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.216 1.944 . . . . 0.0 113.782 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 51' ' ' LEU . 96.1 mt -62.0 -10.0 8.66 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.6 m -54.8 -9.14 0.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.461 -0.774 . . . . 0.0 109.118 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.6 mt -78.42 -24.58 46.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.824 . . . . 0.0 109.474 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 11.5 tmtt? -52.63 150.84 4.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 109.082 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.54 149.57 36.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 109.868 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 91.1 m-20 -89.27 -7.31 55.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.529 -0.732 . . . . 0.0 109.172 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.2 t -110.01 128.41 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.2 mt -120.38 137.17 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-O 121.314 0.578 . . . . 0.0 109.509 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 57' ' ' LYS . 7.3 ttpm? -82.28 131.67 35.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.383 -0.823 . . . . 0.0 109.288 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -86.25 131.24 34.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.405 -0.81 . . . . 0.0 109.827 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -100.64 170.5 8.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.158 -0.964 . . . . 0.0 108.93 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -77.66 -164.52 0.51 Allowed 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 110.296 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -143.09 125.97 16.15 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -89.42 107.07 18.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.067 -1.02 . . . . 0.0 109.783 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 t -73.31 -46.39 49.82 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -166.55 -12.77 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.594 -0.691 . . . . 0.0 109.261 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -77.06 152.06 35.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.721 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.401 179.788 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.473 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.433 0 C3'-C2'-C1' 107.063 3.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 1 O4'-C1'-N19 111.266 4.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 0 O4'-C1'-N19 110.856 3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.555 3.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.476 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.906 3.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.459 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.257 4.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.388 1 O4'-C1'-N19 111.478 4.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.872 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.495 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.888 1 O4'-C1'-N19 111.163 4.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.341 3.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 1 O4'-C1'-N19 111.13 4.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.147 4.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.55 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.383 1 O4'-C1'-N19 111.202 4.252 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.462 3.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.439 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.289 1 O4'-C1'-N19 111.026 4.032 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.241 1 O4'-C1'-N19 111.165 4.207 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.438 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.97 1 O4'-C1'-N19 111.104 4.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 0 C3'-C2'-C1' 107.039 3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.351 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.569 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptp . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.216 0.531 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -61.86 -32.92 73.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.241 -0.912 . . . . 0.0 109.186 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.91 -40.04 87.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.905 -1.122 . . . . 0.0 108.61 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.39 96.09 0.18 Allowed Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.23 -40.02 88.72 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.334 -1.098 . . . . 0.0 108.582 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -49.62 -53.6 23.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.609 -0.682 . . . . 0.0 109.746 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -63.08 -162.61 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.74 -1.225 . . . . 0.0 108.655 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.6 161.97 10.12 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.65 22.76 0.39 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.548 2.165 . . . . 0.0 112.193 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.4 m -59.74 121.13 10.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.12 -0.987 . . . . 0.0 109.964 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.3 m -142.8 140.32 31.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.465 -0.772 . . . . 0.0 109.176 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -67.49 110.99 3.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.217 -0.927 . . . . 0.0 109.452 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -67.14 -10.87 54.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.612 -0.68 . . . . 0.0 110.264 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -98.42 -38.57 9.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.153 -0.967 . . . . 0.0 110.877 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 7.3 p -134.54 0.97 3.07 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.866 -1.146 . . . . 0.0 111.59 -177.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 52.82 48.89 21.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.81 -1.181 . . . . 0.0 110.519 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.515 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 1.2 m -84.05 109.94 18.07 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.588 -0.695 . . . . 0.0 109.311 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -88.29 0.73 55.81 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.288 -1.507 . . . . 0.0 109.831 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.6 m -126.08 117.84 24.03 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.417 ' OG1' ' OD1' ' A' ' 34' ' ' ASN . 3.5 t -160.96 144.73 10.0 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.176 -0.953 . . . . 0.0 109.731 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.43 -17.12 10.33 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.727 1.618 . . . . 0.0 112.01 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.8 tp -155.23 122.86 5.66 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.138 -0.976 . . . . 0.0 110.467 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -82.62 127.88 33.8 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.337 0.589 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 28.9 mmt180 -109.18 178.47 4.44 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.75 157.87 44.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.851 -1.155 . . . . 0.0 110.045 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.528 ' C ' ' H ' ' A' ' 28' ' ' GLU . 9.4 t-20 -88.41 140.63 30.21 Favored Pre-proline 0 N--CA 1.493 1.682 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -49.16 -7.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 CA-C-N 119.954 1.019 . . . . 0.0 111.045 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -97.56 9.1 43.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.417 -0.802 . . . . 0.0 109.272 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 6.19 86.69 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 121.218 -0.926 . . . . 0.0 112.007 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' NE2' ' CB ' ' A' ' 28' ' ' GLU . 3.2 mp0 -89.44 147.69 38.66 Favored Pre-proline 0 N--CA 1.498 1.97 0 O-C-N 120.512 -1.581 . . . . 0.0 108.504 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.67 143.18 18.64 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.374 2.049 . . . . 0.0 113.733 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -134.22 160.5 37.68 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.4 p -84.5 -141.46 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.306 -1.496 . . . . 0.0 108.549 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.744 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.1 p-10 -80.96 -70.17 0.55 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.038 -1.039 . . . . 0.0 111.666 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.744 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -65.68 -30.95 71.71 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.5 m -57.29 -56.42 22.07 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 119.905 -1.747 . . . . 0.0 110.309 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.82 -46.05 94.95 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.45 -43.32 85.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.008 -1.29 . . . . 0.0 110.292 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 82.6 t80 -70.45 -52.44 22.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 0.0 111.97 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.21 -49.97 75.53 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.398 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -60.92 -45.61 93.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.142 -0.974 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.09 -35.69 74.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 111.387 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 80.3 m80 -91.75 -36.79 13.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.687 -1.258 . . . . 0.0 110.879 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.73 15.12 57.26 Favored Glycine 0 N--CA 1.493 2.492 0 O-C-N 120.908 -1.12 . . . . 0.0 112.002 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 m -141.31 142.63 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 CA-C-N 119.186 1.493 . . . . 0.0 110.434 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.08 140.64 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.259 0.552 . . . . 0.0 110.544 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.515 ' HG2' HH11 ' A' ' 47' ' ' ARG . 4.0 ttt-85 -156.07 136.99 9.17 Favored Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -34.42 110.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.299 2.0 . . . . 0.0 114.034 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 51' ' ' LEU . 88.9 mt -61.24 -12.42 13.08 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -55.7 -7.53 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.795 . . . . 0.0 109.313 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' H ' ' C ' ' A' ' 49' ' ' LEU . 86.3 mt -69.93 -27.52 64.83 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 53' ' ' THR . 59.9 tttt -55.02 159.01 2.57 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.872 0.844 . . . . 0.0 109.651 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.53 155.63 40.65 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.387 0.613 . . . . 0.0 109.514 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -85.76 -8.06 58.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 0.0 108.696 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.3 t -109.21 122.91 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.21 132.09 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.659 -0.651 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -67.91 119.02 11.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.14 -0.975 . . . . 0.0 109.184 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.67 129.59 34.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.856 . . . . 0.0 108.916 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -100.99 165.65 11.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.246 -0.909 . . . . 0.0 109.384 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -72.38 -170.81 0.69 Allowed 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.67 0.747 . . . . 0.0 110.422 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' A' ' 61' ' ' ARG . 33.5 mtt-85 -142.18 155.46 45.29 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -151.55 107.54 3.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.009 -1.057 . . . . 0.0 109.65 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.1 t -140.86 131.65 25.82 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.282 -0.886 . . . . 0.0 109.676 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.33 83.6 3.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.304 -0.873 . . . . 0.0 108.971 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -134.84 119.97 18.77 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.419 -0.8 . . . . 0.0 109.446 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.303 -1.429 0 CA-C-O 118.045 -0.978 . . . . 0.0 108.824 179.287 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.551 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C1'-N19 110.495 3.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 1 O4'-C1'-N19 111.237 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.839 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.412 ' N7 ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.841 1 O4'-C1'-N19 111.926 5.158 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.61 1 O4'-C1'-N19 111.256 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 1 O4'-C1'-N19 111.682 4.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.235 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.271 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.826 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.369 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.142 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.519 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.589 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.777 3.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.48 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 O4'-C1'-N19 110.815 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.926 3.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.965 1 O4'-C1'-N19 111.201 4.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.021 0 C3'-C2'-C1' 107.026 3.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.169 4.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.422 0 O4'-C1'-N19 110.59 3.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -102.96 55.71 0.76 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.369 -0.832 . . . . 0.0 109.076 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.17 -40.3 97.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.412 -0.805 . . . . 0.0 110.185 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.64 37.22 1.2 Allowed Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -91.42 12.43 20.62 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.354 -1.086 . . . . 0.0 110.007 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.485 ' O ' ' O ' ' A' ' 7' ' ' ASN . 15.1 pt20 -165.85 170.5 13.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.043 -1.036 . . . . 0.0 110.085 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 6' ' ' GLN . 18.2 m120 -55.9 -158.31 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.373 -0.829 . . . . 0.0 109.403 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' PRO . . . -131.98 179.75 16.89 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 8' ' ' GLY . 51.3 Cg_exo -54.02 -141.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.92 2.414 . . . . 0.0 112.83 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.8 m -59.48 123.66 17.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.168 -0.957 . . . . 0.0 109.579 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 m -140.73 152.94 45.68 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' PHE . 5.8 t -79.7 112.19 16.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.998 -1.064 . . . . 0.0 110.385 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.0 p -68.61 -10.06 53.64 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 109.914 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -96.66 -40.3 9.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.1 p -133.97 6.29 3.65 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.918 -1.114 . . . . 0.0 110.784 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' CYS . 95.5 m-85 54.46 5.89 0.1 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 113.119 177.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.452 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.5 t -64.17 129.27 39.3 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 119.964 -1.71 . . . . 0.0 110.467 -179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -99.6 -0.1 41.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -107.97 114.32 28.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 109.206 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -162.53 147.5 9.7 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -79.5 -16.71 11.75 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.944 1.762 . . . . 0.0 112.372 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 tp -154.38 123.93 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.802 -1.186 . . . . 0.0 109.968 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -82.7 126.19 32.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.505 -0.747 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' NH2' ' N7 ' ' B' ' 105' ' ' ' DG' . 30.4 mmt180 -107.55 177.29 4.88 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.64 151.77 46.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.184 -0.948 . . . . 0.0 109.423 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.9 t30 -88.21 141.66 31.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 108.771 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.04 -9.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.682 1.588 . . . . 0.0 112.494 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.8 mt-10 -98.6 9.44 43.24 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.083 -1.011 . . . . 0.0 109.476 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.01 9.27 85.52 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.168 -0.958 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.04 146.18 35.93 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.596 -1.532 . . . . 0.0 108.629 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.67 137.55 18.24 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.104 1.869 . . . . 0.0 113.78 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.3 mt -130.13 158.65 39.09 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.2 -141.41 0.08 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.688 -1.257 . . . . 0.0 108.555 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 1.3 p-10 -82.35 -71.5 0.48 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.102 -0.999 . . . . 0.0 111.916 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.66 73.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.86 -1.15 . . . . 0.0 113.46 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.2 m -59.15 -58.34 9.05 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.811 -1.806 . . . . 0.0 110.379 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.24 95.8 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.71 -40.72 84.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.231 -1.158 . . . . 0.0 110.282 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 44.7 t80 -73.62 -45.81 50.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 111.587 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.75 -51.76 67.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.745 -1.222 . . . . 0.0 110.408 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.03 -48.99 79.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 111.647 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.69 -39.25 77.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.039 -1.038 . . . . 0.0 111.236 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 78.3 m80 -87.01 -30.19 21.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.392 -1.442 . . . . 0.0 109.981 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.76 12.43 3.57 Favored Glycine 0 N--CA 1.49 2.28 0 O-C-N 121.225 -0.922 . . . . 0.0 111.625 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.14 139.44 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.715 -1.462 . . . . 0.0 109.968 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.07 143.07 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 110.728 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 25.9 ttm180 -156.7 137.97 9.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.9 Cg_exo -30.49 115.22 0.05 OUTLIER 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.66 2.24 . . . . 0.0 113.53 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.07 -9.66 3.43 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 48' ' ' PRO . 68.0 m -59.75 -13.05 8.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.055 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.21 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.63 160.81 5.18 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.52 147.58 34.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.004 -1.06 . . . . 0.0 110.028 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -86.3 -8.07 58.0 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.5 t -105.88 122.59 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.2 mt -117.86 129.98 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.294 0.568 . . . . 0.0 109.865 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.9 131.24 41.27 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.08 127.99 34.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.947 -1.096 . . . . 0.0 110.604 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -98.09 167.39 10.92 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -69.26 179.56 1.93 Allowed 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.933 0.873 . . . . 0.0 111.35 -177.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -144.86 130.93 19.36 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.335 0.588 . . . . 0.0 110.1 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -90.61 102.92 15.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.206 -0.934 . . . . 0.0 110.326 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 t -159.43 140.38 12.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.269 -0.894 . . . . 0.0 109.677 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.43 84.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.098 -1.002 . . . . 0.0 108.819 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -59.04 -39.13 81.06 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.574 -0.704 . . . . 0.0 109.878 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.494 1.73 0 O-C-N 120.712 -1.243 . . . . 0.0 109.997 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.618 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.31 0 C3'-C2'-C1' 107.063 3.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.416 1 O4'-C1'-N19 111.142 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.368 3.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.513 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.332 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.318 1 O4'-C1'-N19 111.501 4.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.757 3.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.131 0 O4'-C1'-N19 110.678 3.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 1 O4'-C1'-N19 111.017 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 O4'-C1'-N19 110.604 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.238 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.462 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.51 0 O4'-C1'-N19 110.459 3.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 1 O4'-C1'-N19 111.033 4.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 110.42 3.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.735 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 1 O4'-C1'-N19 111.123 4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.513 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.661 3.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.755 1 O4'-C1'-N19 111.597 4.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.571 0 C3'-C2'-C1' 107.082 3.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.323 0 O4'-C1'-N19 110.343 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -62.17 -40.02 94.6 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -144.17 10.24 1.49 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.338 -0.851 . . . . 0.0 109.412 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.19 -153.64 29.47 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -179.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -129.2 143.81 50.99 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -89.96 -79.95 0.33 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.691 -1.256 . . . . 0.0 109.96 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 31.8 p-10 -89.91 -56.0 3.4 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.938 -1.101 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 7' ' ' ASN . . . -159.19 -158.98 9.39 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 8' ' ' GLY . 51.8 Cg_exo -52.3 -157.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.655 2.237 . . . . 0.0 112.44 179.799 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m -62.34 120.37 10.88 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.27 -0.894 . . . . 0.0 110.263 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 m -139.72 143.45 37.04 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.65 109.11 4.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.646 -1.284 . . . . 0.0 108.83 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -67.55 -10.01 47.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.841 -0.537 . . . . 0.0 109.759 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -97.01 -42.84 7.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.367 -0.833 . . . . 0.0 110.754 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.6 p -129.13 5.14 5.3 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.857 -1.152 . . . . 0.0 110.737 -178.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 59.32 4.12 0.45 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.291 -0.881 . . . . 0.0 112.765 177.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.448 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -65.7 131.14 45.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.06 -1.65 . . . . 0.0 109.473 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -100.06 -9.29 22.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.516 -0.74 . . . . 0.0 109.67 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -100.02 120.08 39.27 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.278 -0.888 . . . . 0.0 109.181 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.44 ' HG1' HD21 ' A' ' 34' ' ' ASN . 10.0 t -163.14 142.93 6.91 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.12 -16.0 12.62 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.858 1.706 . . . . 0.0 112.358 179.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.6 tp -152.76 120.93 6.23 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 -179.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -79.99 127.09 31.87 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.696 0.76 . . . . 0.0 109.752 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -110.79 176.97 4.82 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' N ' ' CD ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -142.18 155.48 45.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.192 -0.943 . . . . 0.0 109.146 179.04 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.547 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.0 t30 -87.98 141.84 31.68 Favored Pre-proline 0 N--CA 1.489 1.509 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -47.12 -9.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 120.844 1.029 . . . . 0.0 111.398 178.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.7 mt-10 -98.41 0.67 45.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.355 -0.84 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.18 61.02 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 121.365 -0.834 . . . . 0.0 111.244 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -95.31 111.9 56.77 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.83 -1.394 . . . . 0.0 108.997 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.34 136.23 25.46 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.612 1.541 . . . . 0.0 113.091 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.5 mt -129.43 159.71 35.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.59 -145.44 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.516 -1.365 . . . . 0.0 108.095 178.216 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 3.5 p30 -80.8 -65.65 0.98 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.892 -1.13 . . . . 0.0 111.343 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.62 -40.02 95.64 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -176.807 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.3 m -56.65 -56.08 25.86 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.219 -1.551 . . . . 0.0 110.692 -178.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.09 -48.43 86.15 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.92 -40.92 95.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.085 -1.244 . . . . 0.0 110.212 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 61.0 t80 -71.3 -51.43 24.41 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.555 -0.715 . . . . 0.0 111.064 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.63 -50.03 75.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.813 . . . . 0.0 111.087 -177.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.91 -46.02 90.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.864 -1.148 . . . . 0.0 110.661 -179.143 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.95 -34.29 73.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.301 -0.874 . . . . 0.0 110.443 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 59.4 m80 -85.78 -40.81 15.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.668 -1.27 . . . . 0.0 110.279 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.34 9.53 30.73 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.65 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.21 140.05 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.005 -1.291 . . . . 0.0 109.966 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.46 141.04 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.568 -0.707 . . . . 0.0 110.086 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' PRO . 27.8 ttm180 -159.99 136.6 6.53 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 50' ' ' SER . 8.6 Cg_exo -29.39 113.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 122.65 2.234 . . . . 0.0 113.691 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.56 -8.19 4.08 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 48' ' ' PRO . 58.5 p -55.52 -13.04 1.33 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.82 -32.13 69.09 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -59.84 159.39 9.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.509 -0.745 . . . . 0.0 109.184 178.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 t -144.81 151.69 39.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.034 -1.041 . . . . 0.0 110.327 178.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -89.3 -4.26 58.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.3 t -109.63 127.2 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -123.31 139.15 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 121.653 0.739 . . . . 0.0 110.085 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -85.46 133.1 34.11 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -84.18 132.32 34.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.189 -0.944 . . . . 0.0 109.296 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 2.3 mmp_? -103.71 169.52 8.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.306 -0.871 . . . . 0.0 109.699 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -76.33 -164.45 0.4 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.91 0.862 . . . . 0.0 110.738 -178.465 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -144.23 167.16 23.08 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -87.45 107.26 18.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.961 -1.087 . . . . 0.0 109.471 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.536 ' HG ' ' H ' ' A' ' 64' ' ' ALA . 44.8 p -161.78 -89.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.066 -1.021 . . . . 0.0 109.813 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.536 ' H ' ' HG ' ' A' ' 63' ' ' SER . . . -90.03 46.03 1.32 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.617 -0.677 . . . . 0.0 109.837 -179.388 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.032 -1.043 . . . . 0.0 109.327 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.9 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.35 179.619 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.424 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.519 0 O4'-C1'-N19 110.315 3.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.643 3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.005 4.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.121 0 O4'-C1'-N19 110.357 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.46 ' N7 ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.803 1 O4'-C1'-N19 111.786 4.982 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.547 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.565 1 O4'-C1'-N19 111.61 4.762 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.416 1 O4'-C1'-N19 111.981 5.227 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C1'-N19 110.783 3.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.086 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.699 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 1 O4'-C1'-N19 111.05 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.45 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.632 0 O4'-C1'-N19 110.491 3.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.115 4.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.617 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.512 1 O4'-C1'-N19 111.414 4.517 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.617 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.543 1 O4'-C1'-N19 111.243 4.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.547 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.227 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.877 1 O4'-C1'-N19 111.859 5.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.512 0 C3'-C2'-C1' 107.099 3.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 1 O4'-C1'-N19 111.159 4.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 1 O4'-C1'-N19 111.352 4.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' H1 ' ' H ' ' A' ' 2' ' ' LYS . 98.2 mtp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.462 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 62.9 tttm 51.5 81.25 0.08 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.913 . . . . 0.0 109.746 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.02 159.93 32.89 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.174 -0.954 . . . . 0.0 109.302 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.54 -14.45 14.18 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -152.6 -162.85 1.58 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.014 -1.286 . . . . 0.0 109.17 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 8' ' ' GLY . 30.7 tt0 -59.14 139.96 56.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 -179.664 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -70.92 -48.58 52.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.321 -0.862 . . . . 0.0 110.528 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 6' ' ' GLN . . . -143.38 163.3 27.52 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 120.05 -1.072 . . . . 0.0 110.521 -179.086 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.99 74.24 2.96 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.811 2.341 . . . . 0.0 112.027 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 m -56.83 118.26 4.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.993 -1.067 . . . . 0.0 108.251 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -138.03 144.06 40.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.556 -0.715 . . . . 0.0 109.23 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.2 t -72.45 111.55 7.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.828 . . . . 0.0 109.469 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 p -66.52 -9.69 37.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.76 . . . . 0.0 109.599 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -99.8 -39.79 8.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.412 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.566 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 9.0 p -133.56 11.53 4.08 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.719 -1.238 . . . . 0.0 110.794 -178.734 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 48.4 p90 44.1 7.06 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 178.305 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.558 ' N ' ' O ' ' A' ' 15' ' ' CYS . 14.2 t -60.81 132.63 54.49 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.451 -1.406 . . . . 0.0 109.165 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.5 -0.06 41.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -179.292 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -113.37 116.74 30.14 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.581 -0.7 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -166.68 146.87 5.03 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.141 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.67 -17.9 12.27 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.101 1.867 . . . . 0.0 112.802 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -153.29 126.77 8.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.875 -1.14 . . . . 0.0 110.725 -178.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -86.6 128.6 35.0 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.209 0.528 . . . . 0.0 109.587 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' NH2' ' N7 ' ' B' ' 105' ' ' ' DG' . 29.7 mmt180 -110.65 175.1 5.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.556 -0.715 . . . . 0.0 109.442 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 25' ' ' ARG . 18.5 ptt-85 -136.78 151.73 49.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.296 -0.877 . . . . 0.0 110.037 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.5 t-20 -92.07 141.21 24.98 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.05 -11.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.431 1.421 . . . . 0.0 112.456 178.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.6 mm-40 -102.17 4.06 39.07 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.203 -0.936 . . . . 0.0 110.103 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.93 17.87 60.63 Favored Glycine 0 N--CA 1.495 2.593 0 O-C-N 121.172 -0.955 . . . . 0.0 111.699 179.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -93.35 113.07 59.08 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 120.631 -1.511 . . . . 0.0 109.01 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.65 131.15 32.43 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.926 1.75 . . . . 0.0 113.83 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -126.07 159.01 33.97 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.423 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.8 p -85.18 -142.73 0.09 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.374 -1.454 . . . . 0.0 108.575 178.418 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.532 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 10.9 p-10 -80.86 -69.82 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.919 -1.113 . . . . 0.0 111.479 -179.401 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -60.0 -38.09 81.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.32 -0.863 . . . . 0.0 113.037 -177.126 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.2 m -58.4 -54.91 41.71 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.161 -1.587 . . . . 0.0 110.065 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.4 94.58 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.86 -39.99 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.053 -1.263 . . . . 0.0 110.438 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 66.0 t80 -75.62 -50.04 16.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.384 -0.822 . . . . 0.0 111.527 -178.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.08 -50.05 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.061 -1.024 . . . . 0.0 109.939 -178.019 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -59.96 -46.87 88.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.889 -1.132 . . . . 0.0 110.17 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -37.45 75.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.203 -0.936 . . . . 0.0 111.293 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 71.1 m80 -88.57 -34.99 17.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.7 -1.25 . . . . 0.0 110.563 -178.601 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.28 10.32 47.25 Favored Glycine 0 N--CA 1.49 2.292 0 O-C-N 120.74 -1.225 . . . . 0.0 110.67 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.99 142.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.041 -1.27 . . . . 0.0 109.891 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.6 m -60.0 148.25 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.316 -0.865 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' PRO . 15.7 tpp180 -150.37 136.29 10.55 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.8 Cg_exo -28.88 105.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 122.497 2.131 . . . . 0.0 113.373 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.3 mt -60.29 -14.1 16.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.404 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.8 m -55.92 -7.67 0.35 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.566 -0.709 . . . . 0.0 110.0 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.5 mt -71.69 -28.97 64.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.096 -1.002 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -50.46 151.8 2.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.467 -0.771 . . . . 0.0 109.562 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.61 152.49 40.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.334 -0.854 . . . . 0.0 109.676 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -86.88 -10.09 54.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.332 -0.855 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.4 132.08 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.162 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -119.65 140.15 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.486 -0.759 . . . . 0.0 109.954 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -72.71 122.41 21.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.47 -0.769 . . . . 0.0 109.185 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.74 126.93 31.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.123 -0.985 . . . . 0.0 109.918 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.34 169.11 8.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.468 -0.77 . . . . 0.0 109.328 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -72.12 -172.06 0.83 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.992 0.901 . . . . 0.0 110.772 -178.283 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -146.8 161.86 39.79 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.61 97.47 10.11 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.475 ' HG ' ' C ' ' A' ' 66' ' ' SER . 62.8 p -85.74 162.22 18.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.406 -0.809 . . . . 0.0 109.312 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.79 63.87 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.095 -1.003 . . . . 0.0 109.118 179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -146.48 12.76 1.19 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.245 -0.909 . . . . 0.0 109.579 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.475 ' C ' ' HG ' ' A' ' 63' ' ' SER . 2.7 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.644 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.481 3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.133 4.166 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 0 O4'-C1'-N19 110.277 3.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.502 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.645 1 O4'-C1'-N19 111.49 4.613 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.409 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.091 4.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 1 O4'-C1'-N19 111.033 4.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.712 0 O4'-C1'-N19 110.98 3.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.087 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.986 3.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.597 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.675 3.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.223 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.284 1 O4'-C1'-N19 111.142 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.226 0 O4'-C1'-N19 110.8 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.485 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.958 1 O4'-C1'-N19 111.188 4.235 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.973 3.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.078 1 O4'-C1'-N19 111.326 4.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 0 C3'-C2'-C1' 107.247 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 0 C3'-C2'-C1' 106.633 2.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 3' ' ' ASN . 26.8 ptt? . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' MET . 16.8 ttmm 38.43 -88.28 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.905 -0.497 . . . . 0.0 110.722 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 1' ' ' MET . 36.4 m120 -75.12 139.4 42.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.041 -1.037 . . . . 0.0 108.883 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.06 108.24 0.3 Allowed Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.228 -1.463 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.504 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 2.5 pm0 -149.82 154.61 38.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.505 -0.997 . . . . 0.0 109.523 179.523 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -89.97 -79.38 0.34 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.513 -0.742 . . . . 0.0 109.835 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -117.17 -162.81 0.88 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.595 0.712 . . . . 0.0 109.991 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.72 -77.26 0.02 OUTLIER Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 179.456 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.19 45.19 1.33 Allowed 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.37 2.047 . . . . 0.0 111.818 179.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m -60.61 120.55 10.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.906 -1.121 . . . . 0.0 109.899 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -140.97 146.82 37.83 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -80.09 110.92 15.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.785 -1.197 . . . . 0.0 108.755 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.1 p -67.47 -9.83 45.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.632 -0.667 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -99.26 -41.03 7.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 110.845 -178.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.3 p -129.23 2.3 5.17 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.801 -1.187 . . . . 0.0 111.109 -177.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.49 4.03 0.32 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.202 -0.936 . . . . 0.0 112.988 177.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.478 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 8.6 t -67.53 133.81 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.364 -1.46 . . . . 0.0 109.729 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -100.81 -2.3 32.6 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.497 -0.752 . . . . 0.0 109.654 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 m -105.12 118.78 37.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.275 -0.891 . . . . 0.0 109.916 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -165.26 145.7 5.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.066 -1.021 . . . . 0.0 110.306 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.88 -16.21 11.52 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.089 1.859 . . . . 0.0 111.674 178.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 tp -153.53 128.67 9.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.11 -0.994 . . . . 0.0 110.386 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -88.87 125.97 35.17 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.783 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 29.9 mmt180 -108.34 174.31 5.93 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -138.96 150.21 45.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.136 -0.978 . . . . 0.0 110.453 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.485 HD22 ' CD2' ' A' ' 40' ' ' LEU . 9.1 t-20 -88.92 142.34 30.31 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.98 -6.36 0.66 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.452 1.435 . . . . 0.0 111.014 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 26' ' ' ASN . 98.5 mt-10 -92.05 1.26 57.31 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.43 6.92 80.21 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.51 141.67 32.44 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.729 -1.453 . . . . 0.0 108.889 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.65 141.29 19.5 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.004 1.803 . . . . 0.0 112.929 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.3 mt -130.74 159.8 36.22 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.004 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -82.28 -144.32 0.06 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.629 -1.294 . . . . 0.0 108.364 178.269 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.524 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 15.7 p-10 -80.28 -67.6 0.75 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.045 . . . . 0.0 111.806 -179.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.524 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -40.01 96.37 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -176.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.6 m -55.21 -54.89 37.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.133 -1.604 . . . . 0.0 109.811 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.3 -47.27 83.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.24 -39.97 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.273 . . . . 0.0 109.992 179.278 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.67 -57.05 6.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.594 -0.691 . . . . 0.0 111.815 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' CD2' HD22 ' A' ' 26' ' ' ASN . 17.4 tp -60.01 -49.98 75.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.016 -1.052 . . . . 0.0 110.048 -176.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 41' ' ' LYS . 2.8 ttmp? -60.94 -50.22 74.28 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.973 -1.08 . . . . 0.0 111.183 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.03 -38.83 75.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.09 -1.006 . . . . 0.0 111.313 -178.074 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -83.92 -46.44 12.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.669 -1.269 . . . . 0.0 110.832 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.12 1.74 64.32 Favored Glycine 0 N--CA 1.491 2.367 0 C-N-CA 119.549 -1.31 . . . . 0.0 110.589 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.0 m -136.22 141.54 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.199 -1.177 . . . . 0.0 109.75 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -60.41 144.23 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.705 -0.622 . . . . 0.0 110.16 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.485 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 44.1 ttt180 -152.51 137.38 10.86 Favored Pre-proline 0 N--CA 1.492 1.633 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.501 ' C ' ' H ' ' A' ' 50' ' ' SER . 27.5 Cg_exo -30.37 101.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 122.616 2.211 . . . . 0.0 113.063 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.59 -9.36 1.12 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.396 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 48' ' ' PRO . 59.7 p -59.86 -10.07 3.58 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.99 -30.05 66.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.85 157.42 2.39 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 151.53 39.59 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.902 -1.124 . . . . 0.0 109.912 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -85.67 -3.8 58.98 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -113.17 128.65 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.425 HD11 HG22 ' A' ' 56' ' ' ILE . 96.7 mt -119.95 133.37 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 109.256 -179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -77.82 128.97 34.84 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.876 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -85.09 132.41 34.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.376 -0.827 . . . . 0.0 109.72 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -102.1 170.26 8.22 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.071 -1.018 . . . . 0.0 109.23 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -76.99 -160.07 0.15 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.318 -0.864 . . . . 0.0 110.662 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -139.81 167.29 22.46 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.453 -0.78 . . . . 0.0 109.228 -178.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -82.83 157.29 23.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.155 -0.966 . . . . 0.0 109.388 -179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -80.4 159.82 25.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.91 . . . . 0.0 109.839 -179.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.53 114.36 28.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.529 -0.732 . . . . 0.0 109.196 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -60.16 -39.97 88.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.197 -0.939 . . . . 0.0 109.867 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.491 1.624 0 O-C-N 120.873 -1.142 . . . . 0.0 109.22 179.736 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.492 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 0 C3'-C2'-C1' 106.906 3.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.083 2.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.411 4.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 O4'-C1'-N19 110.676 3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.488 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.734 1 O4'-C1'-N19 111.556 4.695 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.155 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.167 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.484 3.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.611 3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 0 O4'-C1'-N19 110.558 3.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.425 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.421 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 1 O4'-C1'-N19 111.067 4.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.344 4.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.847 3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.446 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.434 " O4'" ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.173 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.456 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.347 1 O4'-C1'-N19 111.076 4.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.029 1 O4'-C1'-N19 111.023 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.406 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.4 -40.07 89.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.405 -0.809 . . . . 0.0 108.901 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -166.42 169.09 14.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.363 -0.836 . . . . 0.0 109.302 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.0 -79.73 0.2 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -72.46 140.02 48.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.06 -1.259 . . . . 0.0 109.458 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -146.59 172.06 14.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.399 -0.813 . . . . 0.0 108.833 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -69.25 151.13 46.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.153 -0.967 . . . . 0.0 110.015 -179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.15 97.06 0.41 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.26 55.88 5.8 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 121.999 1.799 . . . . 0.0 112.294 -178.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -60.15 120.23 9.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 149.92 43.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.505 -0.747 . . . . 0.0 109.299 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -77.02 110.8 11.95 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 0.0 108.921 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 p -67.49 -10.36 50.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.67 -0.644 . . . . 0.0 109.431 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -96.77 -42.54 7.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.0 110.59 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 11.8 p -128.36 4.79 5.71 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.077 -1.014 . . . . 0.0 110.938 -178.105 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 57.08 1.99 0.1 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.278 -0.889 . . . . 0.0 112.616 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.41 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -61.93 133.38 55.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.183 -1.573 . . . . 0.0 108.837 -179.309 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' OE1' ' OG1' ' A' ' 19' ' ' THR . 0.0 OUTLIER -100.87 -12.94 18.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 0.0 109.439 -179.866 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.433 ' OG1' ' OE1' ' A' ' 18' ' ' GLN . 8.5 m -101.37 121.23 41.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.041 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.8 t -163.46 144.77 7.35 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.274 -0.891 . . . . 0.0 109.856 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.13 -20.41 11.42 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.356 2.038 . . . . 0.0 112.085 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.423 HD21 HH21 ' A' ' 24' ' ' ARG . 25.1 tp -151.56 125.02 8.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.212 -0.93 . . . . 0.0 109.999 -179.174 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -86.14 127.03 34.64 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 27.0 mmt180 -107.76 173.61 6.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.407 -0.808 . . . . 0.0 109.196 -179.29 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' A' ' 25' ' ' ARG . 49.7 mtt-85 -139.91 148.67 42.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.827 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.7 t30 -91.5 140.62 25.41 Favored Pre-proline 0 N--CA 1.49 1.542 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.0 -4.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.34 1.36 . . . . 0.0 112.118 178.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -99.1 -1.82 38.59 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.069 -1.019 . . . . 0.0 109.344 179.184 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 20.36 55.67 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -96.6 111.01 55.85 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 120.933 -1.334 . . . . 0.0 109.002 179.025 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -50.24 136.34 38.68 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.632 1.554 . . . . 0.0 112.835 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.1 mt -132.6 160.51 36.42 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.0 p -83.5 -145.72 0.08 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.667 -1.271 . . . . 0.0 108.326 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.779 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -80.73 -68.93 0.64 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.107 -0.996 . . . . 0.0 112.204 -179.464 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.759 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.44 -36.7 78.83 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.762 -1.211 . . . . 0.0 113.585 -176.666 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.3 m -59.18 -56.92 15.95 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.19 -1.569 . . . . 0.0 110.672 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -45.26 96.22 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' CD2' ' H62' ' B' ' 106' ' ' ' DA' . 68.7 mt -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.444 -1.033 . . . . 0.0 110.258 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 85.5 t80 -73.01 -50.99 19.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 112.083 -178.557 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.31 -50.49 73.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.028 -1.045 . . . . 0.0 111.301 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.05 -47.14 87.11 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.034 -1.041 . . . . 0.0 110.036 -179.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.11 -34.65 73.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.406 -0.809 . . . . 0.0 111.054 -178.03 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.573 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 67.4 m80 -91.23 -41.07 11.18 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.297 -1.502 . . . . 0.0 110.942 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.27 9.33 57.41 Favored Glycine 0 N--CA 1.491 2.339 0 O-C-N 120.496 -1.378 . . . . 0.0 110.959 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.41 141.71 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.846 -1.385 . . . . 0.0 109.676 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.57 143.44 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.462 -0.774 . . . . 0.0 111.201 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.434 HH11 ' HG3' ' A' ' 47' ' ' ARG . 21.5 ttm-85 -153.09 136.36 9.89 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -33.92 113.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.182 1.921 . . . . 0.0 113.188 -179.318 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 51' ' ' LEU . 85.1 mt -62.0 -10.13 9.0 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -54.98 -11.2 0.6 Allowed 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 49' ' ' LEU . 94.6 mt -70.55 -30.86 67.7 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.555 ' NZ ' HD22 ' A' ' 34' ' ' ASN . 46.4 tptt -60.43 160.08 9.31 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.478 ' HG1' ' N ' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -148.17 157.53 43.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.762 -1.211 . . . . 0.0 110.041 179.021 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' N ' ' HG1' ' A' ' 53' ' ' THR . 88.9 m-20 -89.34 -6.22 56.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.406 -0.809 . . . . 0.0 109.162 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.62 127.61 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 56' ' ' ILE . 84.3 mt -122.82 135.22 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.411 -0.805 . . . . 0.0 110.393 -178.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -78.69 129.68 34.98 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.18 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.58 133.98 34.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.927 179.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' NH2' " O4'" ' C' ' 121' ' ' ' DT' . 19.9 mtm180 -100.98 170.33 8.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 108.907 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -72.9 -165.56 0.23 Allowed 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.675 0.75 . . . . 0.0 110.051 -178.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -147.43 161.02 41.89 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -86.55 100.77 12.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.141 -0.974 . . . . 0.0 108.76 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.1 p -147.05 14.15 1.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.117 -0.989 . . . . 0.0 109.843 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.23 99.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.003 -1.06 . . . . 0.0 109.682 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -72.03 156.76 38.87 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.15 -0.969 . . . . 0.0 109.803 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.504 179.838 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.73 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 C3'-C2'-C1' 106.789 2.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.058 1 O4'-C1'-N19 111.167 4.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.351 1 O4'-C1'-N19 111.514 4.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 0 C3'-C2'-C1' 106.795 2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.508 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.272 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.443 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.473 4.591 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.827 1 O4'-C1'-N19 111.285 4.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 1 O4'-C1'-N19 111.127 4.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.145 4.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.011 4.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.443 1 O4'-C1'-N19 111.119 4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 1 O4'-C1'-N19 111.139 4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.965 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.501 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O4'-C1'-N19 110.728 3.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.514 3.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.434 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.422 ' C4 ' ' O6 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.008 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.431 ' N3 ' ' N1 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.66 3.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.99 0 O4'-C1'-N19 110.98 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 0 O4'-C1'-N19 110.257 3.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.08 -41.77 98.52 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.059 -1.025 . . . . 0.0 109.986 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -113.94 122.46 47.03 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.408 -0.808 . . . . 0.0 109.08 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.6 156.67 27.66 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.964 -1.254 . . . . 0.0 109.964 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 59.5 mp0 -142.82 163.44 32.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.421 -1.047 . . . . 0.0 109.561 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -84.2 -163.49 0.8 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.384 -0.822 . . . . 0.0 109.265 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -59.97 -52.6 64.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 109.818 -179.495 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.52 -167.08 14.6 Favored Glycine 0 N--CA 1.496 2.699 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.55 -170.47 0.99 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.547 2.164 . . . . 0.0 112.25 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.5 m -61.15 122.07 14.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.115 -0.991 . . . . 0.0 109.825 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.49 145.39 35.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.442 -0.787 . . . . 0.0 109.18 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.88 109.79 4.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.997 -1.064 . . . . 0.0 109.559 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.4 p -68.14 -9.02 43.45 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.668 -0.645 . . . . 0.0 109.31 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -96.13 -41.79 8.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.325 -0.859 . . . . 0.0 110.693 -179.293 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 15.0 p -129.35 10.92 5.81 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.803 -1.186 . . . . 0.0 111.419 -178.594 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 54.54 2.53 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.909 -1.119 . . . . 0.0 112.854 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.423 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -64.5 134.08 53.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.237 -1.539 . . . . 0.0 109.29 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -100.17 -15.06 18.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.347 -0.846 . . . . 0.0 109.551 -179.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 m -96.75 122.25 39.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.014 -1.054 . . . . 0.0 109.224 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 t -161.07 142.36 8.76 Favored Pre-proline 0 N--CA 1.487 1.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.96 -20.1 11.9 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.8 1.666 . . . . 0.0 112.268 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.585 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.3 tp -155.73 123.3 5.57 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.069 -1.019 . . . . 0.0 109.561 -179.2 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -81.19 128.68 34.04 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.794 -0.566 . . . . 0.0 111.186 -177.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.58 ' HE ' HD21 ' A' ' 34' ' ' ASN . 29.0 mmt180 -109.55 177.74 4.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.351 -0.843 . . . . 0.0 109.827 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' HG2' HH11 ' A' ' 25' ' ' ARG . 5.8 ptt-85 -141.57 158.41 43.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.365 -0.834 . . . . 0.0 109.778 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.0 t-20 -94.98 145.11 28.96 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.287 -0.883 . . . . 0.0 109.333 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.42 -11.26 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.433 1.422 . . . . 0.0 112.104 178.241 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -100.03 4.16 44.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.324 -0.86 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.67 16.83 65.06 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 121.511 -0.743 . . . . 0.0 111.54 179.571 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.47 140.56 24.12 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 120.532 -1.569 . . . . 0.0 108.463 178.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.49 137.51 20.75 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.25 1.967 . . . . 0.0 113.698 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -134.19 159.96 39.3 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -88.99 -175.9 4.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 17.2 m120 -65.03 -40.09 94.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.58 -1.325 . . . . 0.0 111.355 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.85 -53.27 28.15 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 111.452 -179.015 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.44 -51.22 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.546 -1.346 . . . . 0.0 111.588 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.27 -49.95 72.99 Favored Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.344 -178.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.05 -40.07 87.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.102 -1.234 . . . . 0.0 110.007 179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.632 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.4 t80 -71.54 -47.69 53.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.556 -0.715 . . . . 0.0 111.094 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.76 -52.71 63.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.364 -0.835 . . . . 0.0 111.551 -176.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.1 -43.69 95.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.767 -1.208 . . . . 0.0 110.375 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.9 -39.3 76.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 111.375 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.632 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.7 m80 -87.14 -39.96 15.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.651 -1.281 . . . . 0.0 110.533 -178.409 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.87 9.72 63.29 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.707 178.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.26 145.4 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.923 -1.34 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -57.53 146.97 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.401 -0.812 . . . . 0.0 109.268 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG2' HH11 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -150.1 133.86 8.88 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.597 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 50' ' ' SER . 46.5 Cg_exo -31.78 98.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.151 1.901 . . . . 0.0 113.532 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.0 mt -61.14 -9.41 4.65 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.702 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 48' ' ' PRO . 36.4 m -55.98 -5.46 0.17 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' A' ' 49' ' ' LEU . 91.6 mt -77.07 -16.23 59.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 0.0 108.822 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -55.39 148.6 14.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.418 -0.802 . . . . 0.0 109.557 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.17 152.07 40.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 109.396 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.98 128.81 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.42 130.54 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.597 -0.69 . . . . 0.0 109.192 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.51 127.4 32.45 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.297 -0.877 . . . . 0.0 108.877 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.55 129.72 34.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.461 HH11 ' HG3' ' A' ' 59' ' ' ARG . 25.6 mmm-85 -101.08 167.76 10.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 -179.651 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -75.95 -164.61 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.935 0.874 . . . . 0.0 110.904 -178.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -142.62 162.23 36.02 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -148.29 104.71 3.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.939 -1.1 . . . . 0.0 109.574 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -159.12 47.45 0.31 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.291 -0.881 . . . . 0.0 108.701 179.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.86 155.59 49.58 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.4 0.619 . . . . 0.0 109.485 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -96.96 135.39 39.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 0.0 109.164 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.774 -179.618 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.606 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 C3'-C2'-C1' 106.919 3.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.887 3.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.313 1 O4'-C1'-N19 111.101 4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.452 ' N7 ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.428 1 O4'-C1'-N19 111.47 4.587 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.281 1 O4'-C1'-N19 111.937 5.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.388 1 O4'-C1'-N19 111.405 4.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.383 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 111.015 4.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 1 O4'-C1'-N19 111.034 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.248 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.584 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.524 3.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.534 3.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.695 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.444 4.556 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.695 " O5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 1 O4'-C1'-N19 111.661 4.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.009 1 O4'-C1'-N19 111.339 4.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.002 0 O4'-C1'-N19 110.865 3.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.117 1 O4'-C1'-N19 111.046 4.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.271 4.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.842 3.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.542 0 O4'-C1'-N19 110.838 3.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HZ2' ' C ' ' A' ' 4' ' ' GLY . 20.4 tptp -89.06 105.39 17.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.234 -0.916 . . . . 0.0 109.013 -179.615 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -69.84 -38.59 76.54 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.705 -0.622 . . . . 0.0 110.108 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' C ' ' HZ2' ' A' ' 2' ' ' LYS . . . 154.4 -163.3 31.07 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.367 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 47.5 mp0 -64.51 131.58 47.51 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.24 -1.153 . . . . 0.0 108.515 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -119.84 14.61 12.51 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -59.34 123.07 15.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.517 -0.739 . . . . 0.0 109.633 -179.394 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.01 173.13 14.55 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.41 69.82 1.43 Allowed 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.554 2.169 . . . . 0.0 111.752 -179.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.5 m -60.75 121.25 11.81 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.389 -0.82 . . . . 0.0 110.274 -178.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m -140.75 144.28 35.42 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.94 110.15 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.0 108.461 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 p -67.14 -9.7 42.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.745 -0.597 . . . . 0.0 109.717 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -97.88 -38.99 9.21 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.199 -0.938 . . . . 0.0 110.525 -178.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 14.0 p -133.46 1.6 3.44 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.759 -1.213 . . . . 0.0 110.96 -178.446 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 62.86 2.54 1.01 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.368 -0.832 . . . . 0.0 112.813 178.084 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.408 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -66.82 134.61 52.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.281 -1.512 . . . . 0.0 110.871 -178.354 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -100.29 -11.6 20.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.543 -0.723 . . . . 0.0 109.921 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 m -98.68 118.13 34.7 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.83 -1.169 . . . . 0.0 109.731 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.63 ' HG1' HD21 ' A' ' 34' ' ' ASN . 5.8 t -164.53 145.38 6.49 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.01 -17.37 10.73 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.957 1.771 . . . . 0.0 112.317 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.7 tp -150.86 123.56 8.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.033 . . . . 0.0 110.119 -178.176 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -83.95 123.49 30.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' NH2' ' N7 ' ' B' ' 105' ' ' ' DG' . 28.9 mmt180 -105.56 171.17 7.47 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.341 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.54 157.41 43.67 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.576 0.703 . . . . 0.0 109.499 -179.569 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.8 t30 -97.06 141.07 22.5 Favored Pre-proline 0 N--CA 1.49 1.559 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.65 -9.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.556 1.504 . . . . 0.0 112.06 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -98.28 6.26 47.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.744 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.23 82.9 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -89.84 141.12 28.0 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 120.737 -1.449 . . . . 0.0 108.566 179.055 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -75.49 132.15 14.49 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.43 2.086 . . . . 0.0 112.867 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.1 mt -124.55 160.93 27.25 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 -143.51 0.1 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.356 -1.465 . . . . 0.0 108.432 177.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.63 HD21 ' HG1' ' A' ' 20' ' ' THR . 4.0 p30 -80.99 -69.66 0.59 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.016 -1.052 . . . . 0.0 111.476 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.51 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -60.34 -38.29 83.29 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.616 -0.678 . . . . 0.0 112.798 -176.592 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.37 -56.59 20.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.352 -1.467 . . . . 0.0 110.156 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.97 93.33 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.44 -44.51 90.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.173 -1.192 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 53.2 t80 -70.51 -46.22 64.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.768 -0.582 . . . . 0.0 111.531 -178.802 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.5 -50.64 70.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.995 . . . . 0.0 110.512 -177.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -62.31 -46.35 89.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.859 -1.151 . . . . 0.0 110.482 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -39.86 78.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 111.082 -178.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 56.6 m80 -87.23 -41.24 13.86 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.408 -1.432 . . . . 0.0 110.599 -178.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 9.47 47.14 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.818 -1.176 . . . . 0.0 110.989 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.63 141.71 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.078 -1.248 . . . . 0.0 109.542 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.3 m -60.65 141.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.233 0.539 . . . . 0.0 110.166 -179.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 36.8 ttt180 -153.01 138.42 11.58 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.387 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.9 Cg_exo -29.97 105.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.873 2.382 . . . . 0.0 114.3 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.9 -13.3 14.9 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 p -57.98 -9.97 1.6 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.539 0.685 . . . . 0.0 109.32 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.4 mt -71.62 -22.7 61.67 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.034 -1.041 . . . . 0.0 108.307 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.6 ttpt -55.17 160.25 2.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.95 . . . . 0.0 110.595 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -144.09 147.79 34.25 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.53 0.681 . . . . 0.0 109.658 178.858 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -87.36 -7.61 57.56 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.385 -0.822 . . . . 0.0 109.345 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.2 p -108.5 128.08 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.067 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.7 mt -119.52 135.61 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.532 -0.73 . . . . 0.0 109.317 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -74.1 124.27 25.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.0 108.859 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -79.94 128.53 33.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.729 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -98.6 165.04 12.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.049 -1.032 . . . . 0.0 108.978 179.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -74.84 -162.3 0.16 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.949 . . . . 0.0 110.656 -178.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -134.34 151.67 51.37 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -86.97 127.17 35.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 109.07 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.2 p -128.37 151.17 49.66 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.74 161.17 39.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.588 -0.695 . . . . 0.0 109.26 -179.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -98.07 146.62 25.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.271 -0.893 . . . . 0.0 109.487 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.491 1.591 0 O-C-N 120.834 -1.166 . . . . 0.0 109.787 179.796 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.602 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.295 3.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 1 O4'-C1'-N19 111.029 4.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.541 4.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.503 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.954 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.394 4.493 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.495 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.105 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C1'-N19 110.636 3.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 110.643 3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 1 O4'-C1'-N19 111.117 4.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.473 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.269 4.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.552 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.177 1 O4'-C1'-N19 111.115 4.143 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.552 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.938 1 O4'-C1'-N19 111.314 4.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.065 4.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 1 O4'-C1'-N19 111.691 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.004 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.008 1 O4'-C1'-N19 111.495 4.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 0 O4'-C1'-N19 110.437 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.604 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.651 3.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.3 0.571 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -64.64 137.75 58.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.482 -0.761 . . . . 0.0 109.84 -179.471 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -152.12 163.76 38.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.179 -0.951 . . . . 0.0 110.082 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.23 -72.13 0.3 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -66.11 154.54 39.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -1.065 . . . . 0.0 109.061 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.415 ' HG3' ' H ' ' A' ' 7' ' ' ASN . 25.7 tp60 -122.04 -147.52 0.39 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.671 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.415 ' H ' ' HG3' ' A' ' 6' ' ' GLN . 75.3 m-20 -65.39 -39.99 92.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.067 -1.021 . . . . 0.0 108.879 179.604 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' O ' ' N ' ' A' ' 10' ' ' THR . . . 156.83 -54.6 0.4 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.327 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 88.5 Cg_exo -49.61 62.56 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.902 0 C-N-CA 123.571 2.847 . . . . 0.0 113.789 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.598 ' N ' ' O ' ' A' ' 8' ' ' GLY . 49.8 m -61.12 119.82 9.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.953 -1.092 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -138.68 144.78 39.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.293 -0.879 . . . . 0.0 109.059 179.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.1 t -72.83 111.57 8.08 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.013 -1.054 . . . . 0.0 109.449 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.1 p -66.66 -9.23 33.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.853 -0.529 . . . . 0.0 109.623 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -99.73 -40.09 7.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.373 -0.829 . . . . 0.0 110.726 -179.15 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 14.1 p -132.79 5.43 3.94 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.734 -1.229 . . . . 0.0 111.94 -177.522 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 56.59 4.34 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.893 -1.129 . . . . 0.0 112.68 177.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.439 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -65.59 132.41 48.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.134 -1.604 . . . . 0.0 110.043 -179.091 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -98.06 -5.14 34.51 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.7 m -103.95 117.35 34.1 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.225 -0.922 . . . . 0.0 109.776 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.442 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 11.0 t -164.47 146.46 6.98 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -82.51 -15.47 8.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.844 1.696 . . . . 0.0 112.167 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.6 tp -154.7 123.45 6.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.14 -0.975 . . . . 0.0 110.59 -178.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -83.25 126.72 32.96 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.55 0.69 . . . . 0.0 109.576 179.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 29.0 mmt180 -108.27 178.89 4.37 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HG2' HH11 ' A' ' 25' ' ' ARG . 7.0 ptt-85 -142.43 150.32 40.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.272 -0.893 . . . . 0.0 109.493 179.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.9 t30 -87.94 142.06 31.93 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -45.57 -10.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.374 1.383 . . . . 0.0 112.593 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.0 mt-10 -99.95 4.04 44.72 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.957 -1.089 . . . . 0.0 108.934 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 19.37 60.66 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.399 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -95.45 110.13 49.13 Favored Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 120.777 -1.425 . . . . 0.0 108.353 178.725 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.65 135.51 27.49 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.721 1.614 . . . . 0.0 113.482 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -128.99 162.23 28.08 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 27.8 p -85.85 -145.21 0.11 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.41 -1.431 . . . . 0.0 108.483 178.143 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.544 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -80.45 -66.93 0.82 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.776 -1.203 . . . . 0.0 111.829 -178.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.544 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.53 -39.43 93.53 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -176.564 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.59 -54.88 41.91 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.12 -1.613 . . . . 0.0 110.562 -178.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.04 -42.37 98.19 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.275 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.36 -42.2 79.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.28 -1.129 . . . . 0.0 111.8 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 30.9 t80 -78.89 -46.13 19.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 111.184 -179.002 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.04 -49.99 75.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.0 109.918 -177.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.03 -42.83 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 0.0 110.6 -179.239 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.01 -33.49 72.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.207 -0.933 . . . . 0.0 111.744 -178.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.6 m80 -92.07 -30.04 16.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.661 -1.275 . . . . 0.0 110.583 -178.095 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 12.38 41.73 Favored Glycine 0 N--CA 1.492 2.43 0 O-C-N 120.671 -1.268 . . . . 0.0 111.099 178.404 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.39 168.42 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.032 -1.275 . . . . 0.0 109.626 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -54.49 149.15 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.063 -179.223 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -128.87 134.85 26.77 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.84 102.91 1.27 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.967 1.111 . . . . 0.0 109.334 178.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -58.61 -10.91 2.53 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.46 -0.775 . . . . 0.0 109.286 -178.347 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -61.56 -15.67 40.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.638 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.44 -29.94 59.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.137 -0.977 . . . . 0.0 109.419 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -53.32 155.05 2.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.857 . . . . 0.0 109.728 -179.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.06 160.1 43.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.271 -0.893 . . . . 0.0 109.454 179.179 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -86.23 -5.61 59.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 108.75 179.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.23 127.51 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.04 135.77 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.414 -0.804 . . . . 0.0 109.624 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -74.21 121.69 21.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.199 -0.938 . . . . 0.0 108.79 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.31 134.63 34.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 108.64 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.45 ' HG2' HH11 ' A' ' 59' ' ' ARG . 5.9 mmt-85 -101.32 165.39 11.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 108.67 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -85.29 -154.14 0.18 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.558 -0.714 . . . . 0.0 109.7 -179.014 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' HG2' HH11 ' A' ' 61' ' ' ARG . 14.5 mtt-85 -141.27 141.92 33.93 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.699 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -156.7 123.26 5.06 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.622 -1.299 . . . . 0.0 111.185 -178.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.9 t -112.93 118.04 33.75 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.9 130.01 19.64 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.033 -1.042 . . . . 0.0 110.187 -179.083 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -62.21 -40.06 94.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.209 -0.932 . . . . 0.0 108.794 179.474 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.431 179.977 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.472 3.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 O4'-C1'-N19 110.128 2.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.484 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.807 0 O4'-C1'-N19 110.788 3.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.976 3.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 1.663 1 O4'-C1'-N19 111.756 4.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.435 1 O4'-C1'-N19 111.339 4.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.452 ' N6 ' ' N4 ' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.489 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.402 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.511 0 O4'-C1'-N19 110.566 3.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.452 ' N4 ' ' N6 ' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.097 1 O4'-C1'-N19 111.008 4.01 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 111.015 4.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.254 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 0 C3'-C2'-C1' 107.108 3.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . 0.419 ' P ' ' ND2' ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.304 1 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.691 3.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.882 3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.748 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -72.87 144.18 47.51 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 109.656 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -70.04 157.93 36.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.0 109.482 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.66 -21.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.98 -151.22 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.317 -1.108 . . . . 0.0 110.026 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.422 ' HG3' ' H ' ' A' ' 7' ' ' ASN . 37.2 tp60 -132.03 -145.07 0.25 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.422 ' H ' ' HG3' ' A' ' 6' ' ' GLN . 44.6 p-10 -160.33 161.25 33.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.841 -1.162 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.41 167.36 19.95 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.633 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.78 156.41 27.45 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.597 2.198 . . . . 0.0 111.969 179.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.1 m -59.03 129.55 42.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.054 -1.029 . . . . 0.0 109.089 -179.373 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 m -138.16 144.84 40.93 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.7 t -72.61 109.25 6.12 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.263 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -67.84 -9.62 46.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 109.743 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.56 -40.12 8.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.349 -0.844 . . . . 0.0 111.401 -178.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -126.71 1.36 6.77 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.766 -1.209 . . . . 0.0 111.152 -178.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 61.64 2.62 0.72 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.294 -0.878 . . . . 0.0 113.106 177.314 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 t -64.88 133.23 51.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.139 -1.6 . . . . 0.0 109.437 -179.034 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -97.09 -13.75 21.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.854 . . . . 0.0 110.221 -178.519 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 m -104.13 126.27 51.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.282 -0.886 . . . . 0.0 108.956 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.6 t -164.51 145.38 6.51 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.172 -0.955 . . . . 0.0 109.83 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.63 -20.89 11.79 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.386 2.057 . . . . 0.0 112.418 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.6 tp -153.44 121.96 6.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.99 . . . . 0.0 110.243 -178.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -81.05 123.35 28.3 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 32.3 mmt180 -103.6 172.57 6.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 109.072 -179.238 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -132.93 147.09 52.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 -179.535 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.4 t30 -88.22 140.12 30.5 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.441 -0.787 . . . . 0.0 109.135 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -42.04 -16.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.469 1.446 . . . . 0.0 112.249 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.2 mt-10 -100.06 6.84 44.99 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.116 -0.99 . . . . 0.0 110.041 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.91 15.99 66.33 Favored Glycine 0 N--CA 1.494 2.565 0 O-C-N 121.268 -0.895 . . . . 0.0 111.872 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -92.67 114.58 62.89 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 120.526 -1.573 . . . . 0.0 109.464 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.04 135.39 24.04 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.548 2.166 . . . . 0.0 114.229 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.3 mt -133.22 158.38 43.02 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.36 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -84.14 -140.22 0.07 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.221 -1.55 . . . . 0.0 108.448 177.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 5.8 p-10 -81.44 -69.34 0.62 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.949 -1.094 . . . . 0.0 111.347 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.479 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.5 -34.72 78.39 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.88 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.0 m -57.69 -53.6 56.41 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.048 -1.657 . . . . 0.0 110.53 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -39.89 91.19 Favored Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.515 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.77 -40.18 76.22 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.046 -1.267 . . . . 0.0 111.946 -178.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 54.2 t80 -78.21 -44.92 24.38 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.831 -1.168 . . . . 0.0 110.928 -179.277 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.8 -52.93 61.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.702 -177.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.39 -45.49 93.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.849 -1.157 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.14 -33.35 74.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.339 -0.851 . . . . 0.0 111.948 -177.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.613 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 69.5 m80 -98.13 -20.22 17.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.648 -1.283 . . . . 0.0 110.077 -178.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.61 13.5 58.85 Favored Glycine 0 N--CA 1.494 2.516 0 O-C-N 120.806 -1.184 . . . . 0.0 110.934 178.159 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.17 162.23 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.325 -1.103 . . . . 0.0 109.07 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -50.53 157.89 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -107.53 133.16 20.51 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.343 -0.848 . . . . 0.0 109.23 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 50' ' ' SER . 23.0 Cg_endo -65.25 84.29 0.2 Allowed 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 120.799 1.0 . . . . 0.0 109.545 178.294 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.74 -8.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.627 -0.67 . . . . 0.0 109.49 -178.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.521 ' H ' ' C ' ' A' ' 48' ' ' PRO . 44.5 p -60.01 -15.14 20.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 108.682 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.7 mt -84.08 13.29 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.372 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -58.45 122.35 13.11 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.666 0.746 . . . . 0.0 109.265 179.588 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -145.64 145.49 30.95 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.699 0.761 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.46 -0.76 54.49 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.474 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.7 t -113.29 130.0 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.9 mt -120.03 132.29 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -68.82 124.25 23.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.218 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -86.56 132.05 34.01 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.376 -0.828 . . . . 0.0 109.527 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.452 HH11 ' HG3' ' A' ' 59' ' ' ARG . 20.6 mmm-85 -100.47 172.31 7.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.357 -0.839 . . . . 0.0 109.037 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -70.04 -176.96 1.23 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.358 -0.839 . . . . 0.0 111.204 -177.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HG2' HH11 ' A' ' 61' ' ' ARG . 40.5 mtt-85 -142.91 154.86 44.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.56 -0.712 . . . . 0.0 109.919 -179.551 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' ND2' ' P ' ' C' ' 123' ' ' ' DG' . 47.9 p-10 -86.44 -4.21 59.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.239 -0.913 . . . . 0.0 108.724 179.167 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.2 p -149.15 160.05 43.7 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.75 72.14 1.35 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.345 -0.847 . . . . 0.0 109.307 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.584 ' N ' HD21 ' A' ' 65' ' ' ASN . 0.0 OUTLIER -90.03 -1.45 57.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 0.0 109.277 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.456 ' N ' HD21 ' A' ' 65' ' ' ASN . 62.4 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.37 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.191 0 C3'-C2'-C1' 106.942 3.03 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.438 3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 O4'-C1'-N19 110.529 3.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 C3'-C2'-C1' 106.823 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.465 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.291 4.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.514 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.014 4.018 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C1'-N19 112.119 5.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.49 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 110.828 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 1 O4'-C1'-N19 111.263 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.677 3.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.468 1 O4'-C1'-N19 111.174 4.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.303 0 O4'-C1'-N19 110.562 3.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.259 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.637 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.081 0 O4'-C1'-N19 110.962 3.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.637 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.15 4.188 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.398 1 O4'-C1'-N19 111.006 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.514 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.379 0 O4'-C1'-N19 110.995 3.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 1 O4'-C1'-N19 111.76 4.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 0 O4'-C1'-N19 110.574 3.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.964 3.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.073 0 O4'-C1'-N19 110.785 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.48 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -149.63 156.55 42.1 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.96 -1.087 . . . . 0.0 109.078 179.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -113.75 136.34 52.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.371 -0.83 . . . . 0.0 109.801 -179.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.91 78.74 0.26 Allowed Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -96.19 5.6 50.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.125 -1.22 . . . . 0.0 109.284 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -61.95 -39.91 93.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -99.64 -168.05 1.55 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.18 -0.95 . . . . 0.0 109.647 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.22 -63.9 0.53 Allowed Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -55.07 -36.19 92.24 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.353 2.035 . . . . 0.0 111.589 179.286 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.4 m -62.36 120.42 10.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.578 -0.701 . . . . 0.0 110.267 -179.121 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -147.57 140.26 24.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.7 t -69.74 110.04 4.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.876 -1.14 . . . . 0.0 109.644 -179.865 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.7 p -67.19 -10.22 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.699 -0.626 . . . . 0.0 109.955 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -98.88 -39.19 8.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.173 -0.954 . . . . 0.0 110.4 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 10.0 p -133.32 4.49 3.71 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.829 -1.17 . . . . 0.0 111.394 -178.162 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 56.88 5.36 0.22 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.914 -1.117 . . . . 0.0 113.003 177.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.486 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -66.67 133.16 49.66 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.137 -1.602 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' NE2' ' HG1' ' A' ' 19' ' ' THR . 4.7 pp0? -101.63 -3.27 28.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.361 -0.837 . . . . 0.0 109.305 178.753 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.411 ' HG1' ' NE2' ' A' ' 18' ' ' GLN . 39.3 m -102.64 110.92 23.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.444 -0.785 . . . . 0.0 109.503 -179.436 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 ' HG1' ' H ' ' A' ' 22' ' ' LEU . 2.9 t -165.08 147.82 6.94 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.133 -0.979 . . . . 0.0 109.878 179.778 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -83.53 -16.21 6.97 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.359 2.039 . . . . 0.0 112.679 179.295 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' H ' ' HG1' ' A' ' 20' ' ' THR . 24.3 tp -152.86 119.64 5.71 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.968 -1.082 . . . . 0.0 109.689 -179.226 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -82.61 130.62 35.15 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.553 -179.229 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 27.6 mmt180 -110.08 176.04 5.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.081 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -134.03 147.3 50.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.81 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLU . 18.9 t-20 -87.75 142.96 32.95 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.647 -0.658 . . . . 0.0 109.725 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.38 -12.56 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.998 1.798 . . . . 0.0 113.074 178.385 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' ASN . 64.4 mm-40 -98.71 9.44 43.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.841 -1.162 . . . . 0.0 109.212 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.21 9.79 86.68 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 120.335 -0.936 . . . . 0.0 110.995 178.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.42 146.06 41.21 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.573 -1.546 . . . . 0.0 107.863 178.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.79 131.85 12.62 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 121.594 1.529 . . . . 0.0 113.425 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.4 mt -122.14 161.15 23.66 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 p -84.49 -147.82 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.083 -1.636 . . . . 0.0 108.861 178.676 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 7.4 p-10 -79.89 -64.42 1.19 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.856 -1.153 . . . . 0.0 111.532 -179.083 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.37 -37.76 86.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.003 -1.061 . . . . 0.0 113.597 -177.12 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -59.2 -55.7 31.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.142 -1.598 . . . . 0.0 111.128 -178.02 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.09 96.26 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' CD2' ' H62' ' B' ' 106' ' ' ' DA' . 52.2 mt -66.43 -40.64 89.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -1.211 . . . . 0.0 110.25 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 56.6 t80 -77.74 -48.91 15.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.288 -0.882 . . . . 0.0 112.422 -178.483 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.877 -1.139 . . . . 0.0 110.721 -176.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -60.01 -48.4 81.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.903 -1.123 . . . . 0.0 110.193 -179.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.76 -35.93 79.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 0.0 111.254 -177.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 57.9 m80 -88.91 -34.0 17.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.563 -1.336 . . . . 0.0 110.546 -178.546 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.67 11.19 2.61 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.848 -1.158 . . . . 0.0 111.669 178.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.83 140.33 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 CA-C-N 119.022 1.411 . . . . 0.0 110.122 179.732 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.5 m -59.05 141.18 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.572 -0.705 . . . . 0.0 109.678 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.438 ' HG2' HH11 ' A' ' 47' ' ' ARG . 4.6 ttt-85 -155.73 136.65 9.08 Favored Pre-proline 0 N--CA 1.49 1.529 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 50' ' ' SER . 50.4 Cg_exo -34.13 110.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.095 1.864 . . . . 0.0 113.84 -178.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.519 ' C ' ' H ' ' A' ' 51' ' ' LEU . 85.8 mt -63.28 -9.36 11.32 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.56 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 48' ' ' PRO . 56.2 p -53.72 -8.99 0.18 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' A' ' 49' ' ' LEU . 85.4 mt -69.99 -26.74 64.22 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.783 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -50.93 147.12 5.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.629 0.728 . . . . 0.0 109.705 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.45 150.13 38.58 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.606 -0.683 . . . . 0.0 109.18 178.746 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -85.41 -8.73 58.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.443 -0.785 . . . . 0.0 109.262 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -108.2 121.35 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.4 mt -112.08 130.06 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.637 -0.664 . . . . 0.0 109.279 -179.161 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.54 122.77 24.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 109.091 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.84 132.03 34.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -0.881 . . . . 0.0 108.749 179.308 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -100.02 166.95 10.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.328 -0.858 . . . . 0.0 108.961 -179.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.546 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.1 -161.63 0.32 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.515 -0.741 . . . . 0.0 109.952 -178.569 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -139.67 114.87 9.73 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -93.1 118.65 31.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.344 -0.848 . . . . 0.0 108.851 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.467 ' HG ' ' N ' ' A' ' 64' ' ' ALA . 82.3 p -60.05 -39.19 85.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.03 -1.044 . . . . 0.0 109.598 -179.634 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.467 ' N ' ' HG ' ' A' ' 63' ' ' SER . . . -80.07 153.5 28.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.077 -1.014 . . . . 0.0 109.263 179.857 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -63.95 132.4 50.57 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.267 -0.895 . . . . 0.0 109.706 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.068 179.576 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.586 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.51 0 C3'-C2'-C1' 106.964 3.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.45 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.392 0 O4'-C1'-N19 110.383 3.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.488 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 111.498 4.623 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.419 ' C2 ' ' N3 ' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.303 4.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.419 ' N3 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.558 4.698 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.962 1 O4'-C1'-N19 111.247 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.889 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 1 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 1 O4'-C1'-N19 111.274 4.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 1 O4'-C1'-N19 111.278 4.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.93 3.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 0 O4'-C1'-N19 110.616 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-N19 110.764 3.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.524 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.296 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.606 3.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.116 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.403 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.432 4.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.729 3.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.866 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -103.42 140.07 37.95 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.615 -0.678 . . . . 0.0 109.526 -179.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -71.8 -22.57 61.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 109.971 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.53 46.8 2.26 Favored Glycine 0 N--CA 1.497 2.739 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.97 -37.98 81.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.541 -0.976 . . . . 0.0 110.794 -178.514 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.9 -131.66 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.707 -1.246 . . . . 0.0 109.989 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.49 138.92 58.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.012 -1.055 . . . . 0.0 109.615 -179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.36 -69.88 0.74 Allowed Glycine 0 N--CA 1.498 2.769 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 179.208 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -53.7 154.91 15.01 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.147 1.898 . . . . 0.0 111.858 179.365 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 m -61.66 118.67 7.4 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.914 -1.116 . . . . 0.0 108.5 179.544 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 m -142.66 147.78 36.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.245 -0.909 . . . . 0.0 109.159 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.8 t -74.39 109.1 7.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.988 -1.07 . . . . 0.0 108.838 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 p -67.59 -9.97 47.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.643 -0.661 . . . . 0.0 109.725 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -96.3 -37.68 10.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.127 -0.983 . . . . 0.0 110.193 -179.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 10.7 p -134.42 8.43 3.66 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.74 -1.225 . . . . 0.0 112.15 -178.492 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 56.83 2.75 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.757 -1.214 . . . . 0.0 112.843 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.464 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.1 t -63.67 130.93 46.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.015 -1.678 . . . . 0.0 109.126 -179.248 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -100.04 -7.13 25.39 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -100.64 117.53 34.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.217 -0.927 . . . . 0.0 109.049 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -163.3 144.88 7.56 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.133 -0.979 . . . . 0.0 109.288 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.16 -18.43 7.38 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.087 1.858 . . . . 0.0 112.757 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.571 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.5 tp -154.72 124.68 6.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.919 -1.113 . . . . 0.0 109.876 -178.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.17 126.98 33.21 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.752 0.787 . . . . 0.0 111.346 -178.181 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.527 ' HE ' ' ND2' ' A' ' 34' ' ' ASN . 28.7 mmt180 -109.86 177.63 4.66 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.507 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -141.78 154.98 45.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.095 -1.003 . . . . 0.0 109.539 179.089 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.6 t-20 -91.65 144.39 29.42 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.29 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.216 1.277 . . . . 0.0 111.888 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.4 mt-10 -100.2 -0.04 39.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.35 -0.844 . . . . 0.0 109.646 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.59 17.18 60.62 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 121.395 -0.815 . . . . 0.0 111.658 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -94.62 112.39 57.67 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.629 -1.512 . . . . 0.0 109.276 179.123 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.67 133.86 27.03 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.718 1.612 . . . . 0.0 112.955 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -127.25 158.52 36.95 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 24.6 p -87.54 -173.08 4.18 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 176.127 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 11.1 m120 -68.67 -40.78 80.0 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.654 -1.279 . . . . 0.0 112.42 -178.588 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -50.67 55.39 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.634 -1.292 . . . . 0.0 111.003 -178.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.46 -52.72 63.37 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.669 -1.27 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.47 69.27 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.1 mt -69.9 -41.27 74.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -1.223 . . . . 0.0 110.842 -179.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t80 -74.32 -47.98 31.21 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 111.227 -179.509 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.97 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.002 -1.061 . . . . 0.0 110.705 -177.584 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.98 -43.21 95.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.096 -1.003 . . . . 0.0 110.373 -179.499 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.56 -38.16 77.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.481 -0.762 . . . . 0.0 112.084 -178.499 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.561 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 29.8 m80 -93.06 -31.3 14.89 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.662 -1.274 . . . . 0.0 110.582 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 22.37 71.34 Favored Glycine 0 N--CA 1.493 2.491 0 O-C-N 120.663 -1.273 . . . . 0.0 111.492 178.316 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' ARG . 33.4 m -131.57 159.93 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.036 -1.273 . . . . 0.0 110.523 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.5 m -53.02 90.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-O 122.258 1.028 . . . . 0.0 109.642 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.524 ' NH2' ' OP1' ' C' ' 119' ' ' ' DT' . 7.5 ttt-85 -51.05 110.27 1.7 Allowed Pre-proline 0 C--N 1.292 -1.909 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.383 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.18 98.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.31 1.34 . . . . 0.0 110.503 178.023 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.78 -10.57 3.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.341 -0.849 . . . . 0.0 109.67 -179.058 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 t -60.57 -14.26 19.03 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -79.57 -9.45 59.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 0.0 109.865 -178.542 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD2' ' H ' ' A' ' 53' ' ' THR . 22.0 tptp -51.99 139.36 22.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.087 -1.008 . . . . 0.0 110.487 -179.458 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.406 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -147.08 154.39 41.1 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.474 0.654 . . . . 0.0 109.732 178.814 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -90.17 -6.87 54.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 110.41 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.14 125.94 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.099 -1.001 . . . . 0.0 109.664 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -120.47 135.8 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.551 -0.718 . . . . 0.0 109.487 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HZ3' ' NH1' ' A' ' 59' ' ' ARG . 25.2 tptp -76.25 125.15 28.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.021 -1.05 . . . . 0.0 109.91 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -88.74 136.38 33.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' NH1' ' HZ3' ' A' ' 57' ' ' LYS . 19.3 mmm180 -99.58 166.81 10.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.096 -1.003 . . . . 0.0 109.377 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -74.9 -165.94 0.42 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.536 -0.728 . . . . 0.0 109.931 -179.145 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -144.46 146.93 32.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.493 -0.754 . . . . 0.0 109.339 179.534 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -85.24 151.16 24.28 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.234 -0.917 . . . . 0.0 109.771 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -92.34 161.02 14.85 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.274 -0.892 . . . . 0.0 109.92 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -127.85 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.383 -0.823 . . . . 0.0 109.447 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.607 ' N ' HD21 ' A' ' 65' ' ' ASN . 0.0 OUTLIER -89.95 -2.6 58.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.126 -0.984 . . . . 0.0 109.177 179.632 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.498 ' N ' HD21 ' A' ' 65' ' ' ASN . 20.7 p . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.54 " O5'" ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.394 0 C3'-C2'-C1' 106.892 2.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 1 O4'-C1'-N19 111.275 4.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 0 O4'-C1'-N19 110.501 3.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 111.573 4.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.4 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 1 O4'-C1'-N19 111.852 5.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.04 4.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 0 C3'-C2'-C1' 106.939 3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.942 3.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.506 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.469 " O5'" ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.538 3.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.567 3.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.389 4.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.281 1 O4'-C1'-N19 111.271 4.339 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.583 ' P ' HD21 ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 111.096 4.12 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.131 1 O4'-C1'-N19 111.411 4.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.038 0 O4'-C1'-N19 110.431 3.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 0 O4'-C1'-N19 110.981 3.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.546 3.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.73 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.099 4.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.595 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -60.06 -41.97 93.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 109.232 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.9 p-10 -162.0 68.46 0.27 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.831 . . . . 0.0 108.869 179.232 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.7 -176.03 39.17 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -79.13 159.48 27.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.556 -0.967 . . . . 0.0 109.787 -179.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.523 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 3.8 pm0 -56.08 -175.58 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.129 -0.982 . . . . 0.0 109.29 179.6 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.01 -44.8 94.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.148 -0.97 . . . . 0.0 109.073 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.82 59.94 1.65 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.386 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.66 142.66 26.17 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.1 m -59.36 121.36 11.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.331 -0.856 . . . . 0.0 109.351 -179.462 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -139.31 142.81 37.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -0.788 . . . . 0.0 109.43 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.3 t -70.15 110.05 4.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.158 -0.963 . . . . 0.0 109.047 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -66.46 -9.09 30.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.608 -0.682 . . . . 0.0 109.502 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -100.01 -39.79 7.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.398 -0.814 . . . . 0.0 111.157 -179.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 9.4 p -132.04 4.45 4.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.84 -1.163 . . . . 0.0 111.578 -177.735 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 55.58 3.45 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.942 -1.099 . . . . 0.0 112.641 177.676 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.463 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 9.0 t -62.52 130.42 45.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.279 -1.513 . . . . 0.0 109.349 -179.145 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -98.36 -12.63 21.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.444 -0.785 . . . . 0.0 110.126 -178.759 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -99.56 118.46 36.17 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.824 -1.173 . . . . 0.0 109.222 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -164.05 143.18 6.16 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.099 -1.001 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.72 -17.43 18.03 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.175 1.917 . . . . 0.0 112.423 178.766 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 tp -155.92 121.93 5.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.983 -1.073 . . . . 0.0 110.8 -178.59 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -81.1 127.63 32.85 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -109.9 179.58 4.08 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.416 -0.803 . . . . 0.0 109.374 -179.335 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -136.67 151.67 49.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.534 -0.729 . . . . 0.0 110.014 -179.577 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 17.0 t-20 -88.63 141.28 30.07 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -44.6 -12.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.199 1.266 . . . . 0.0 112.027 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -100.01 6.42 45.07 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.266 -0.896 . . . . 0.0 109.587 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.2 71.93 Favored Glycine 0 N--CA 1.491 2.313 0 O-C-N 121.369 -0.832 . . . . 0.0 111.475 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -91.36 114.75 62.75 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.69 -1.477 . . . . 0.0 108.599 179.063 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.28 133.64 24.87 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.716 1.611 . . . . 0.0 113.18 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.9 mt -128.36 158.62 37.74 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.144 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 29.7 p -86.11 -132.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.382 -1.449 . . . . 0.0 109.107 178.582 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.583 HD21 ' P ' ' C' ' 120' ' ' ' DA' . 2.3 p-10 -82.53 -85.09 0.11 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 112.21 -178.722 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.12 65.52 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.617 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 35.3 m -57.53 -53.01 63.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.041 -1.662 . . . . 0.0 109.895 -178.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -43.45 66.87 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.143 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.42 -40.04 92.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.867 -1.373 . . . . 0.0 111.04 -179.157 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.64 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 t80 -78.22 -45.34 23.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.064 -1.022 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.41 -52.66 62.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.046 -1.034 . . . . 0.0 110.448 -177.535 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -61.44 -41.88 97.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.87 -1.144 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.81 -29.74 67.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.136 -0.978 . . . . 0.0 110.313 -177.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.64 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 57.1 m80 -92.03 -33.12 14.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.745 -1.222 . . . . 0.0 110.978 -178.679 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.34 14.27 63.97 Favored Glycine 0 N--CA 1.495 2.568 0 O-C-N 120.576 -1.327 . . . . 0.0 111.733 178.038 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.66 169.63 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.838 -1.389 . . . . 0.0 109.075 179.532 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -48.68 147.25 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.74 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.617 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -117.74 125.61 27.93 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.684 -0.635 . . . . 0.0 109.36 -179.761 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.44 110.27 3.07 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.138 1.226 . . . . 0.0 110.114 178.152 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.08 -11.7 6.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -59.76 -25.89 65.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.784 -179.692 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.21 -30.39 62.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.07 -1.019 . . . . 0.0 110.667 -178.515 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -57.27 155.8 8.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 109.888 -179.07 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.23 158.6 43.89 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.419 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.69 -2.96 58.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 108.666 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.2 129.3 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.723 -0.611 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.7 139.83 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.723 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -83.85 132.2 34.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.079 -1.013 . . . . 0.0 109.071 179.565 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -84.4 135.49 34.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.468 -0.77 . . . . 0.0 109.635 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.471 HH11 ' HG2' ' A' ' 59' ' ' ARG . 6.2 mmt-85 -99.49 166.38 11.19 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.169 -0.957 . . . . 0.0 108.667 179.502 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -76.62 -157.19 0.08 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.493 -0.754 . . . . 0.0 109.788 -179.347 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -142.14 170.46 15.66 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -74.63 -46.28 39.33 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.095 -1.003 . . . . 0.0 109.064 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.2 p -160.28 156.38 26.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.155 -0.965 . . . . 0.0 109.463 179.272 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.24 156.02 33.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 109.016 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -101.9 120.04 39.75 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.082 -1.011 . . . . 0.0 109.654 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.198 179.79 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.595 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.777 0 O4'-C1'-N19 110.371 3.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.058 1 O4'-C1'-N19 111.003 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 0 C3'-C2'-C1' 106.792 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.507 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.332 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.117 4.146 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.898 5.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 1 O4'-C1'-N19 111.014 4.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.596 0 O4'-C1'-N19 110.616 3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.8 3.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.933 3.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.471 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.695 1 O4'-C1'-N19 111.018 4.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 0 O4'-C1'-N19 110.67 3.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.565 3.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.446 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.401 ' OP2' ' CD2' ' A' ' 39' ' ' PHE . . . . . . . . 0 C5'--C4' 1.53 2.395 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.414 ' OP2' ' OD1' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.386 4.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 C3'-C2'-C1' 107.112 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.095 0 O4'-C1'-N19 110.538 3.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.608 0 O4'-C1'-N19 110.668 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -60.88 -40.34 92.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.213 -0.929 . . . . 0.0 109.066 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 18.1 p30 -176.42 -28.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.838 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.535 ' N ' ' OD1' ' A' ' 3' ' ' ASN . . . 166.37 165.63 24.07 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -88.41 137.9 31.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.268 -1.136 . . . . 0.0 108.719 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.429 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 98.8 mt-30 -60.59 -57.09 14.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.985 -1.072 . . . . 0.0 109.613 -179.235 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 6' ' ' GLN . 79.7 m-20 -150.5 -78.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.028 -1.045 . . . . 0.0 109.009 179.815 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.14 174.5 37.74 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 179.713 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -46.9 115.45 1.28 Allowed 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.088 1.859 . . . . 0.0 111.655 179.72 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 m -64.89 118.99 9.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.1 -1.0 . . . . 0.0 109.877 -179.428 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.2 m -146.19 149.99 35.0 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.347 -0.846 . . . . 0.0 109.935 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.06 111.26 11.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.094 -1.004 . . . . 0.0 109.257 179.492 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 p -68.63 -9.39 49.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.714 . . . . 0.0 109.986 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -95.93 -41.57 8.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 0.0 110.702 -179.049 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 16.0 p -127.33 4.49 6.31 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.968 -1.083 . . . . 0.0 111.23 -177.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 57.4 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.159 -0.963 . . . . 0.0 112.149 178.18 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.477 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 4.8 t -66.14 135.88 55.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.477 -1.39 . . . . 0.0 109.666 -179.386 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.524 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -103.46 -10.06 18.86 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.345 -0.847 . . . . 0.0 109.904 -179.758 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.8 m -100.99 121.2 41.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.221 -0.924 . . . . 0.0 108.771 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.473 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 5.3 t -163.54 145.03 7.38 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.086 -1.009 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.98 -21.94 10.47 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.285 1.99 . . . . 0.0 112.426 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.405 HD21 HH21 ' A' ' 24' ' ' ARG . 17.7 tp -153.52 121.27 5.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.019 -1.051 . . . . 0.0 110.149 -178.666 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -82.63 128.16 34.07 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.719 -179.481 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.507 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 26.5 mmt180 -106.25 177.28 4.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.375 -0.828 . . . . 0.0 108.855 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -136.09 148.09 48.12 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.319 -0.863 . . . . 0.0 110.111 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.511 ' C ' ' H ' ' A' ' 28' ' ' GLU . 15.8 t-20 -89.07 142.63 30.3 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.422 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -4.77 0.15 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 CA-C-N 119.976 1.027 . . . . 0.0 110.916 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -98.3 2.25 47.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.368 -0.832 . . . . 0.0 109.203 179.493 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.24 9.73 75.87 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 121.297 -0.877 . . . . 0.0 111.366 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -89.14 151.09 46.3 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 120.732 -1.451 . . . . 0.0 108.949 179.093 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -83.14 133.54 6.55 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.12 1.88 . . . . 0.0 112.944 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.0 mt -128.55 160.03 33.63 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.713 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.48 -168.32 2.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.646 -1.284 . . . . 0.0 107.678 177.532 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.693 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -72.18 -38.97 68.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.641 -1.287 . . . . 0.0 111.232 -179.63 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.693 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -69.9 -52.38 25.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.556 -1.34 . . . . 0.0 111.866 -179.077 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.51 -53.24 58.96 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.581 -1.324 . . . . 0.0 110.684 -178.55 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.98 -47.43 80.09 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.57 -40.72 76.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.157 -1.202 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 56.0 t80 -78.77 -46.7 18.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.207 -0.933 . . . . 0.0 111.878 -178.633 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.73 -50.06 73.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.037 -1.04 . . . . 0.0 110.574 -177.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -60.01 -44.4 94.61 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.923 -1.111 . . . . 0.0 110.468 -179.392 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.08 -32.68 70.87 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.211 -0.931 . . . . 0.0 111.354 -177.863 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.2 m80 -91.27 -32.32 15.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.63 -1.293 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.67 14.32 67.18 Favored Glycine 0 N--CA 1.493 2.493 0 O-C-N 120.564 -1.335 . . . . 0.0 111.308 178.251 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 m -139.7 171.78 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.004 -1.291 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -47.03 148.71 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 109.648 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -111.26 130.09 23.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.755 -0.59 . . . . 0.0 109.635 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -70.18 93.01 0.55 Allowed 'Trans proline' 0 C--N 1.315 -1.196 0 C-N-CA 120.961 1.107 . . . . 0.0 110.338 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.0 mt -59.39 -11.98 5.23 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.136 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 t -60.11 -20.2 57.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.607 -0.683 . . . . 0.0 109.484 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -79.83 -17.19 53.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.133 -0.979 . . . . 0.0 109.327 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -53.9 144.56 18.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 0.0 109.078 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.88 155.33 41.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.864 . . . . 0.0 109.242 178.91 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.88 -10.42 57.15 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.3 129.06 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.494 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -119.07 130.81 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.524 -0.735 . . . . 0.0 109.917 -179.326 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -71.52 123.58 22.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.168 -0.957 . . . . 0.0 108.554 179.667 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -90.57 138.25 31.71 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.839 179.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 59' ' ' ARG . 35.8 mtt-85 -100.76 170.69 8.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 109.317 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -70.56 -177.6 1.55 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.329 -0.857 . . . . 0.0 110.927 -178.156 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HG2' HH11 ' A' ' 61' ' ' ARG . 32.8 mtt-85 -141.55 145.34 34.99 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.408 0.623 . . . . 0.0 109.768 -179.808 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -90.08 108.61 19.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 0.0 109.068 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.6 t -127.89 129.96 47.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.434 -0.791 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.87 -175.48 5.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 108.946 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -55.62 -30.89 61.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.005 -1.059 . . . . 0.0 108.914 179.899 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 117.921 -1.037 . . . . 0.0 109.412 179.861 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.586 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.272 3.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.889 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.939 3.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 C3'-C2'-C1' 106.969 3.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.442 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-N19 110.615 3.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.395 4.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.903 1 O4'-C1'-N19 111.653 4.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 1 O4'-C1'-N19 111.027 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.799 0 O4'-C1'-N19 110.775 3.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.979 3.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 0 O4'-C1'-N19 110.752 3.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.46 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.397 3.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.061 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.882 3.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.31 4.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.45 2.276 1 O4'-C1'-N19 111.227 4.284 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 0 O4'-C1'-N19 110.504 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.158 4.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.179 4.224 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.895 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-N19 110.58 3.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mmm . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.472 0.653 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.21 -43.93 98.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.546 -0.721 . . . . 0.0 109.787 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -152.32 169.1 23.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.196 -0.94 . . . . 0.0 109.153 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.35 -143.92 10.76 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -58.87 -24.17 61.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.437 -1.037 . . . . 0.0 109.235 -179.827 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -49.39 149.12 2.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.185 -0.947 . . . . 0.0 109.536 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.44 ' O ' ' O ' ' A' ' 8' ' ' GLY . 40.4 p-10 -59.99 -157.42 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.371 -0.831 . . . . 0.0 110.877 -178.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 7' ' ' ASN . . . -32.85 152.73 0.01 OUTLIER Glycine 0 N--CA 1.498 2.832 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.363 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.45 -94.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.764 2.309 . . . . 0.0 113.7 -179.431 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.0 m -61.92 121.34 12.7 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.325 -0.859 . . . . 0.0 111.711 -177.567 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 m -147.15 133.67 19.77 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.554 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.13 108.94 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.617 -1.302 . . . . 0.0 109.472 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.2 p -68.14 -8.8 41.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.478 -0.764 . . . . 0.0 109.39 179.472 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.527 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.1 m120 -96.16 -40.29 9.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.286 -0.884 . . . . 0.0 110.852 -179.07 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 13.5 p -133.49 11.68 4.11 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.704 -1.247 . . . . 0.0 111.354 -178.483 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 54.22 1.84 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.887 -1.133 . . . . 0.0 112.89 177.8 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.492 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 13.6 t -62.46 131.37 48.94 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.073 -1.642 . . . . 0.0 109.61 -178.814 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -102.18 -11.25 18.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.453 -0.779 . . . . 0.0 109.829 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -104.75 123.3 47.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.402 -0.811 . . . . 0.0 109.25 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.38 149.71 8.82 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.071 -1.018 . . . . 0.0 109.722 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.37 -21.79 10.05 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.28 1.987 . . . . 0.0 112.397 179.2 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.8 tp -152.28 120.26 6.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -178.34 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.47 128.53 33.98 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -103.98 170.89 7.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.51 -0.744 . . . . 0.0 109.156 -178.857 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -129.95 146.99 51.66 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.322 -0.862 . . . . 0.0 109.226 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.499 HD21 ' H ' ' A' ' 28' ' ' GLU . 2.2 t30 -85.72 139.94 35.5 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 0.0 109.087 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.71 -15.81 0.1 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.576 1.517 . . . . 0.0 112.209 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.499 ' H ' HD21 ' A' ' 26' ' ' ASN . 47.2 mt-10 -100.28 9.99 41.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 -179.46 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 12.89 74.33 Favored Glycine 0 N--CA 1.493 2.475 0 O-C-N 121.263 -0.898 . . . . 0.0 111.596 178.895 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -92.65 140.3 23.82 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 120.544 -1.562 . . . . 0.0 108.652 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.19 140.48 30.95 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.157 1.905 . . . . 0.0 113.904 -179.362 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.1 mt -135.21 159.96 39.89 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 31.2 p -87.61 -135.45 0.09 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.254 -1.529 . . . . 0.0 109.109 178.462 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.654 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.4 p-10 -83.73 -76.93 0.27 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.312 -0.867 . . . . 0.0 111.821 -179.249 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.654 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.72 -30.42 71.4 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.215 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.2 m -58.71 -57.95 10.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 119.868 -1.77 . . . . 0.0 110.492 -178.43 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.7 -41.43 97.47 Favored Glycine 0 N--CA 1.492 2.398 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.189 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' CD2' ' H62' ' B' ' 106' ' ' ' DA' . 32.7 mt -69.5 -41.12 76.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.992 -1.299 . . . . 0.0 110.899 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CZ ' ' CD2' ' A' ' 43' ' ' HIS . 30.0 t80 -80.1 -45.11 18.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 110.9 -179.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.59 -53.51 56.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.385 -0.822 . . . . 0.0 110.152 -177.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.02 -46.6 88.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.063 -1.023 . . . . 0.0 110.811 -179.563 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.95 -33.25 71.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.102 -0.999 . . . . 0.0 111.076 -178.305 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 67.2 m80 -89.76 -29.94 18.35 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.809 -1.182 . . . . 0.0 110.861 -178.21 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.28 13.61 73.64 Favored Glycine 0 N--CA 1.491 2.366 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.566 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.54 143.5 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.992 -1.299 . . . . 0.0 109.573 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.55 117.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.837 . . . . 0.0 109.897 -179.241 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -70.07 137.13 87.07 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.507 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -55.92 106.17 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 N-CA-C 109.028 -1.182 . . . . 0.0 109.028 178.214 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.1 mt -58.53 -9.8 1.85 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.517 -0.74 . . . . 0.0 109.594 -178.584 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.7 m -61.94 -14.15 31.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.231 -0.918 . . . . 0.0 110.007 179.827 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.71 -9.12 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 109.27 -179.506 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -51.26 137.55 22.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.051 -1.031 . . . . 0.0 110.154 -178.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.405 ' HG1' ' N ' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -145.23 149.96 35.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.22 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' HG1' ' A' ' 53' ' ' THR . 96.6 m-20 -87.62 -8.59 56.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.491 -0.756 . . . . 0.0 109.643 -179.768 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.46 129.19 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.466 -0.771 . . . . 0.0 109.198 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 56' ' ' ILE . 96.5 mt -117.93 137.17 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.51 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -71.27 121.45 18.46 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.799 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -84.34 130.31 34.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.247 -0.908 . . . . 0.0 109.482 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HG3' HH11 ' A' ' 59' ' ' ARG . 27.1 mmm-85 -96.57 167.29 11.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.947 -1.096 . . . . 0.0 109.07 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -77.36 -168.65 1.19 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.921 -178.522 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -140.71 141.17 34.96 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.481 -0.762 . . . . 0.0 109.508 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.78 136.84 32.79 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.262 -0.899 . . . . 0.0 109.967 179.617 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 p -130.1 140.16 50.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.587 -0.696 . . . . 0.0 109.291 179.404 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.96 129.96 51.57 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.646 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -92.66 124.58 36.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.107 -0.996 . . . . 0.0 109.557 -179.608 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.321 -179.665 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.59 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.458 0 O4'-C1'-N19 110.269 3.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.605 4.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.055 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 C3'-C2'-C1' 106.917 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.456 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.543 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.113 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.858 1 O4'-C1'-N19 111.441 4.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.098 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.544 3.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.662 3.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 111.233 4.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.456 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.882 3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.961 3.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.527 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.543 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.061 0 O4'-C1'-N19 110.673 3.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.097 1 O4'-C1'-N19 111.608 4.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 1 O4'-C1'-N19 111.732 4.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.09 4.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.647 3.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.985 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.3 tttp 51.97 -102.66 0.13 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.107 -0.995 . . . . 0.0 110.07 179.473 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -94.94 124.35 38.94 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.866 -1.146 . . . . 0.0 109.309 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.4 -173.05 3.97 Favored Glycine 0 N--CA 1.487 2.054 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.426 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -172.04 50.19 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.326 -1.102 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.407 ' HG3' ' H ' ' A' ' 8' ' ' GLY . 51.9 tp60 -140.32 132.65 28.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.433 -0.792 . . . . 0.0 108.944 -179.409 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -99.47 5.28 46.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.282 -0.886 . . . . 0.0 109.111 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.407 ' H ' ' HG3' ' A' ' 6' ' ' GLN . . . -72.74 159.52 53.66 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.438 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.68 -153.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.584 2.189 . . . . 0.0 111.345 179.437 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 m -56.04 124.57 18.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.94 -1.1 . . . . 0.0 109.36 -179.327 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.2 m -140.22 137.65 34.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.453 -0.779 . . . . 0.0 109.528 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -67.4 110.76 3.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 109.569 179.73 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.9 p -69.04 -9.52 52.94 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.745 -0.597 . . . . 0.0 109.701 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -94.86 -42.42 8.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.226 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 14.2 p -130.36 4.73 4.75 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.964 -1.085 . . . . 0.0 111.236 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 57.93 3.98 0.26 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.986 . . . . 0.0 112.399 177.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.497 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -64.67 132.42 49.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.165 -1.585 . . . . 0.0 110.111 -178.669 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -99.51 -9.9 22.76 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.42 -0.8 . . . . 0.0 109.449 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.6 m -100.88 118.51 37.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.202 -0.936 . . . . 0.0 108.978 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.472 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 8.9 t -163.11 141.33 6.32 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 110.07 -179.609 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.99 -20.64 19.19 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.054 1.836 . . . . 0.0 112.554 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -154.92 122.42 5.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.841 -1.162 . . . . 0.0 109.978 -178.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.12 128.67 33.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.549 -0.719 . . . . 0.0 109.126 -179.465 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -109.12 176.8 4.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.611 -0.681 . . . . 0.0 109.75 -178.549 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.59 152.35 49.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.075 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.9 t-20 -89.72 142.33 29.14 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.588 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -45.24 -10.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.33 1.353 . . . . 0.0 111.547 178.091 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.9 mt-10 -98.43 6.03 47.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.307 -0.871 . . . . 0.0 109.786 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.15 80.85 Favored Glycine 0 N--CA 1.492 2.388 0 O-C-N 121.267 -0.896 . . . . 0.0 111.174 179.652 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -87.13 145.23 37.64 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 120.673 -1.486 . . . . 0.0 108.386 178.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.08 132.51 9.46 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.093 1.862 . . . . 0.0 112.683 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.3 mt -128.14 160.68 31.27 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.101 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.6 p -82.97 -143.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.34 -1.475 . . . . 0.0 108.531 178.577 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.4 p-10 -80.75 -69.87 0.57 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.059 -1.025 . . . . 0.0 111.742 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.483 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.71 -36.1 81.86 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.797 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.5 m -57.65 -56.29 23.78 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 119.93 -1.731 . . . . 0.0 110.341 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 -44.25 97.11 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.74 -40.22 84.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -1.176 . . . . 0.0 109.861 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 91.0 t80 -74.57 -52.19 12.5 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.849 -0.532 . . . . 0.0 111.562 -178.868 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.43 -50.27 74.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.959 -1.088 . . . . 0.0 109.927 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.93 -47.88 83.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.006 -1.059 . . . . 0.0 110.811 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.1 -33.59 73.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 111.324 -177.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 65.3 m80 -88.95 -32.06 17.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.626 -1.296 . . . . 0.0 111.021 -178.511 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.72 10.55 8.48 Favored Glycine 0 N--CA 1.495 2.573 0 O-C-N 120.695 -1.253 . . . . 0.0 111.406 178.486 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.02 140.67 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.904 -1.351 . . . . 0.0 109.963 179.528 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -59.81 138.91 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.615 -0.678 . . . . 0.0 109.689 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.488 ' CG ' HH11 ' A' ' 47' ' ' ARG . 1.1 ttt-85 -153.5 137.01 10.26 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 108.503 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 16.1 Cg_exo -30.64 111.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 122.757 2.304 . . . . 0.0 113.667 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.89 -8.95 3.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 48' ' ' PRO . 26.5 p -59.38 -11.06 3.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.402 -0.812 . . . . 0.0 109.563 -179.448 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.2 mt -70.57 -30.08 66.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 0.0 108.584 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.51 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 8.9 tmtm? -58.48 158.47 7.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 109.62 179.814 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.51 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -142.29 147.48 36.47 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.089 -1.007 . . . . 0.0 110.04 178.872 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -89.58 -4.16 57.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.539 -0.726 . . . . 0.0 109.605 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.419 ' H ' ' HG1' ' A' ' 53' ' ' THR . 57.5 t -110.02 121.65 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 179.916 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -114.88 130.02 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -81.73 137.78 35.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.225 -0.922 . . . . 0.0 108.634 179.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.85 128.79 34.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.779 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -101.45 170.87 7.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.29 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.11 172.78 4.27 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.961 0.886 . . . . 0.0 111.283 -177.163 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -149.1 165.49 31.58 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.52 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -89.27 100.64 13.39 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.092 -1.005 . . . . 0.0 109.104 179.382 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 p -104.14 0.77 29.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.486 -0.759 . . . . 0.0 110.212 -179.464 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 149.06 39.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.126 -0.984 . . . . 0.0 110.535 -178.905 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' SER . 36.6 p-10 -70.7 -21.46 62.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.48 -0.763 . . . . 0.0 109.935 179.714 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ASN . 52.0 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.386 -179.468 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.725 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.257 3.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 0 O4'-C1'-N19 110.469 3.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 111.226 4.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 C3'-C2'-C1' 106.834 2.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.454 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.424 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.576 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.193 0 O4'-C1'-N19 110.716 3.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.372 1 O4'-C1'-N19 111.859 5.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.015 1 O4'-C1'-N19 111.177 4.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.278 0 O4'-C1'-N19 110.773 3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.341 1 O4'-C1'-N19 111.143 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.421 0 O4'-C1'-N19 110.598 3.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.449 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.196 4.245 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.252 4.315 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.088 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.425 1 O4'-C1'-N19 111.425 4.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.512 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.538 3.435 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 1 O4'-C1'-N19 111.568 4.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.576 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.41 0 O4'-C1'-N19 110.779 3.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 0 O4'-C1'-N19 110.413 3.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 C3'-C2'-C1' 107.115 3.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-N19 110.385 3.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.994 0 O4'-C1'-N19 110.548 3.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.344 0.592 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -68.14 -40.22 82.46 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.316 -0.865 . . . . 0.0 110.054 -179.578 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.43 160.83 23.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.432 -0.793 . . . . 0.0 109.551 179.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.71 -28.22 6.26 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.021 -1.631 . . . . 0.0 109.021 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.55 128.41 36.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -1.139 . . . . 0.0 109.073 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.73 -45.37 77.97 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.884 -1.135 . . . . 0.0 110.213 -178.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -63.68 132.36 50.82 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.02 -1.05 . . . . 0.0 109.929 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' PRO . . . -153.76 -60.09 0.01 OUTLIER Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 72.4 Cg_exo -49.75 -172.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.678 2.252 . . . . 0.0 112.771 -179.182 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.1 m -65.83 118.61 9.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.378 -0.826 . . . . 0.0 110.127 -178.848 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -141.68 147.14 37.02 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.333 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.0 t -72.84 110.0 6.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.024 -1.048 . . . . 0.0 108.398 179.442 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 p -67.9 -9.33 44.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 110.098 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.516 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.2 m120 -98.15 -40.13 8.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.824 . . . . 0.0 110.996 -179.434 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' CG2' ' A' ' 17' ' ' THR . 12.1 p -129.1 4.81 5.3 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.787 -1.196 . . . . 0.0 111.522 -177.727 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 57.78 4.27 0.26 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.209 -0.932 . . . . 0.0 112.579 177.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.477 ' CG2' ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -65.82 128.14 34.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.285 -1.51 . . . . 0.0 109.638 -178.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -98.27 -15.35 19.84 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.51 -0.744 . . . . 0.0 109.369 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -100.52 122.48 43.29 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.225 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -164.8 149.47 8.15 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.167 -0.958 . . . . 0.0 109.372 -179.553 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.47 -21.25 10.34 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.993 1.795 . . . . 0.0 112.828 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD21 ' NH2' ' A' ' 24' ' ' ARG . 20.4 tp -155.96 125.69 6.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.98 -1.075 . . . . 0.0 110.063 -179.261 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -84.79 129.62 34.79 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.647 0.737 . . . . 0.0 109.679 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 28.8 mmt180 -109.58 176.92 4.9 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.898 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -140.78 148.2 40.27 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.888 -179.764 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.558 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.1 t30 -87.12 142.67 33.9 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.405 -0.809 . . . . 0.0 108.938 179.852 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.27 -8.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.472 1.448 . . . . 0.0 112.265 178.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.4 mt-10 -92.66 4.99 52.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.221 -0.924 . . . . 0.0 108.82 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.2 85.82 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.05 146.35 38.28 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.331 -1.1 . . . . 0.0 108.708 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.34 138.85 14.28 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.511 1.474 . . . . 0.0 114.084 -178.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -131.74 160.05 36.65 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.9 p -83.92 -143.68 0.08 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.24 -1.537 . . . . 0.0 108.981 178.343 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.576 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 35.4 p-10 -80.2 -69.16 0.61 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 0.0 110.983 -179.518 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.576 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.35 -39.58 91.11 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.514 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.8 m -56.0 -54.38 45.54 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 119.923 -1.736 . . . . 0.0 110.053 -178.383 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.31 -43.66 98.76 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.523 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' CD2' ' H62' ' B' ' 106' ' ' ' DA' . 49.7 mt -68.0 -39.39 83.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.023 -1.281 . . . . 0.0 109.984 179.793 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 47.4 t80 -78.94 -49.87 12.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.352 -0.843 . . . . 0.0 111.366 -178.624 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.81 -49.98 75.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.219 -0.926 . . . . 0.0 110.451 -177.773 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -59.82 -49.58 77.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.088 -1.007 . . . . 0.0 110.295 -179.296 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.97 -34.1 72.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.106 -0.996 . . . . 0.0 111.435 -178.762 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.6 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -87.84 -37.05 16.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.439 -1.413 . . . . 0.0 110.037 -178.357 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.86 10.18 12.81 Favored Glycine 0 N--CA 1.488 2.152 0 C-N-CA 120.052 -1.07 . . . . 0.0 111.098 178.294 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.29 141.9 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.93 -1.335 . . . . 0.0 110.084 179.449 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.69 144.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.517 0.675 . . . . 0.0 110.139 -179.56 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.8 tpp180 -154.7 133.25 6.99 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -179.824 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 33.2 Cg_exo -33.88 105.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.334 2.023 . . . . 0.0 112.444 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.25 -11.59 10.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.5 p -59.33 -10.01 2.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.471 -0.768 . . . . 0.0 110.059 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.8 -39.62 73.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.092 -1.005 . . . . 0.0 108.691 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' CG ' ' H ' ' A' ' 53' ' ' THR . 40.3 tttp -54.16 170.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.214 -0.928 . . . . 0.0 109.338 179.854 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.424 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 1.1 t -147.49 157.3 43.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.132 -0.98 . . . . 0.0 110.22 179.04 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -87.11 -0.84 57.3 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.715 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.424 ' H ' ' HG1' ' A' ' 53' ' ' THR . 58.5 t -113.34 129.95 68.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.311 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -124.41 134.88 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 109.537 -179.022 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -83.76 139.52 32.67 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.082 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -83.51 130.84 35.02 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.932 -1.105 . . . . 0.0 109.577 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HG3' ' NH1' ' A' ' 59' ' ' ARG . 19.0 mmm-85 -98.07 166.56 11.37 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.813 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.47 -169.14 1.13 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.183 -0.948 . . . . 0.0 111.593 -178.134 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' A' ' 61' ' ' ARG . 31.6 mtm-85 -132.6 151.75 51.85 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.335 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -153.58 156.56 38.22 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.096 -1.002 . . . . 0.0 109.191 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.3 p -116.94 153.94 31.72 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.652 -0.655 . . . . 0.0 109.478 -179.689 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.538 ' O ' ' ND2' ' A' ' 65' ' ' ASN . . . -94.93 92.37 6.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 0.0 108.958 179.308 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 64' ' ' ALA . 14.8 m120 -143.36 152.02 41.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.298 -0.876 . . . . 0.0 109.363 -179.754 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.373 179.415 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m -127.92 131.32 49.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.25 -0.906 . . . . 0.0 110.263 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 12.0 t -80.26 113.47 18.46 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -66.59 -11.55 53.84 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.333 -0.855 . . . . 0.0 111.021 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.447 ' ND2' HD22 ' A' ' 32' ' ' LEU . 45.0 m-20 -96.83 -39.58 9.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.971 -1.081 . . . . 0.0 110.111 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.661 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.6 p -132.23 0.02 3.72 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.877 -1.14 . . . . 0.0 111.565 -177.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 60.02 6.15 0.89 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.94 -1.1 . . . . 0.0 112.212 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.661 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.5 t -66.11 133.36 50.57 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.22 -1.55 . . . . 0.0 109.69 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -102.6 -4.91 24.5 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.7 m -103.01 113.62 27.25 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -163.73 146.42 7.78 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.824 . . . . 0.0 109.412 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -79.31 -18.84 10.79 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.413 2.076 . . . . 0.0 111.843 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD23 ' NH2' ' A' ' 24' ' ' ARG . 35.5 tp -152.94 125.14 8.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -83.67 127.69 33.96 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.276 0.56 . . . . 0.0 109.87 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.53 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.9 mmt180 -109.27 171.62 7.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.562 -0.712 . . . . 0.0 109.56 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.98 153.99 47.03 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.276 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.3 t-20 -93.61 139.29 22.77 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.293 -0.88 . . . . 0.0 109.105 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.22 -7.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.683 1.588 . . . . 0.0 112.212 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 40.2 mt-10 -97.89 3.35 49.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.18 14.59 68.71 Favored Glycine 0 N--CA 1.495 2.574 0 O-C-N 121.46 -0.775 . . . . 0.0 111.866 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -93.79 137.01 23.32 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.733 -1.451 . . . . 0.0 108.923 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.2 135.53 20.84 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.808 1.672 . . . . 0.0 112.389 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.447 HD22 ' ND2' ' A' ' 14' ' ' ASN . 91.5 mt -130.91 160.7 33.71 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.4 p -86.9 -138.87 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.511 -1.368 . . . . 0.0 109.247 178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.88 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 2.4 p-10 -82.81 -71.66 0.48 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.744 -1.223 . . . . 0.0 111.645 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.88 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.81 -33.73 76.32 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.6 m -57.03 -55.92 28.4 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.105 -1.622 . . . . 0.0 110.293 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.44 95.06 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.34 -43.98 80.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -1.17 . . . . 0.0 111.308 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 48.3 t80 -78.93 -49.56 12.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 112.073 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.3 -49.4 77.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.98 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -59.93 -41.95 92.88 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.932 -1.105 . . . . 0.0 110.594 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.35 -30.06 66.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 55.9 m80 -92.46 -29.86 16.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.816 -1.177 . . . . 0.0 110.703 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 12.46 38.23 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.96 142.09 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 120.947 -1.325 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 m -62.63 145.19 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.545 -0.722 . . . . 0.0 110.186 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.598 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -145.5 137.18 12.95 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 50' ' ' SER . 56.0 Cg_exo -34.52 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.289 1.993 . . . . 0.0 113.664 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LYS . 95.1 mt -63.92 -3.27 2.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 48' ' ' PRO . 8.2 p -52.56 -12.31 0.27 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 49' ' ' LEU . 88.4 mt -77.74 3.18 14.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' LEU . 26.1 tptp -58.0 128.17 35.75 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.682 0.753 . . . . 0.0 109.629 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.61 142.92 30.5 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.804 0.812 . . . . 0.0 109.711 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 94.0 m-20 -92.65 -3.71 54.5 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.61 125.15 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.83 . . . . 0.0 109.275 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -72.62 127.68 33.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.942 . . . . 0.0 109.164 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -88.13 134.17 33.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.199 -0.938 . . . . 0.0 109.85 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -98.93 172.1 7.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.281 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.21 -177.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -140.28 150.65 44.31 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.418 -0.801 . . . . 0.0 109.524 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -73.4 108.16 6.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.11 -0.994 . . . . 0.0 109.07 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.4 p -66.49 -9.98 39.94 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.521 -0.737 . . . . 0.0 109.176 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.503 ' ND2' HD22 ' A' ' 32' ' ' LEU . 24.3 m-20 -96.5 -40.02 9.27 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.28 -0.888 . . . . 0.0 110.81 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.616 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.1 p -133.7 5.74 3.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.859 -1.151 . . . . 0.0 111.217 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 55.7 3.89 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 112.24 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.616 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -62.48 131.39 49.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.096 -1.628 . . . . 0.0 109.272 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -98.66 -7.85 27.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.441 -0.787 . . . . 0.0 109.46 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -101.59 116.12 32.04 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.995 -1.066 . . . . 0.0 109.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -162.61 144.41 8.08 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 120.973 -1.08 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.3 -18.67 10.91 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.177 1.918 . . . . 0.0 111.832 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD23 HH21 ' A' ' 24' ' ' ARG . 13.8 tp -154.31 121.77 5.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.167 -0.958 . . . . 0.0 110.302 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -81.04 126.5 31.5 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.481 HH21 HD23 ' A' ' 22' ' ' LEU . 28.4 mmt180 -109.33 175.22 5.53 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -141.26 157.73 44.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.274 -0.891 . . . . 0.0 109.591 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.8 t30 -91.21 142.7 27.43 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -45.99 -7.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.093 1.195 . . . . 0.0 111.821 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -100.33 2.82 42.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -0.957 . . . . 0.0 109.977 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.81 20.97 57.06 Favored Glycine 0 N--CA 1.494 2.508 0 O-C-N 121.152 -0.967 . . . . 0.0 111.42 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -96.5 112.24 59.45 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.773 -1.428 . . . . 0.0 108.837 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -49.55 133.65 32.09 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.961 1.774 . . . . 0.0 113.634 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.503 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.0 mt -130.66 159.99 35.58 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.5 p -86.16 -137.81 0.08 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.31 -1.494 . . . . 0.0 108.598 178.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 3.5 p30 -83.21 -70.66 0.54 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.623 -1.298 . . . . 0.0 111.77 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.482 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.86 -32.65 74.45 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -56.81 -52.53 64.7 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.106 -1.621 . . . . 0.0 110.207 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.98 -44.39 61.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.083 -1.056 . . . . 0.0 110.793 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.72 -41.26 88.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.388 . . . . 0.0 110.258 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.657 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -71.72 -51.8 21.0 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.966 -1.084 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.53 -49.48 76.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.108 -0.995 . . . . 0.0 109.212 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.6 -47.81 84.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 109.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.47 -33.92 71.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.325 -0.859 . . . . 0.0 112.128 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.657 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 67.1 m80 -93.76 -31.37 14.43 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.63 -1.294 . . . . 0.0 110.824 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.11 48.29 74.98 Favored Glycine 0 N--CA 1.494 2.546 0 O-C-N 120.823 -1.173 . . . . 0.0 110.945 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' VAL . 15.5 m -140.97 157.31 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.018 -1.284 . . . . 0.0 110.203 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' VAL . 13.0 m -37.4 119.22 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-O 122.652 1.215 . . . . 0.0 110.841 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -41.52 102.52 0.27 Allowed Pre-proline 0 N--CA 1.492 1.638 0 CA-C-N 114.242 -1.345 . . . . 0.0 113.561 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -94.11 83.47 0.15 Allowed 'Trans proline' 0 N--CA 1.488 1.152 0 C-N-CA 122.927 2.418 . . . . 0.0 110.383 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.41 -23.17 67.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.85 . . . . 0.0 110.685 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.8 p -53.28 -29.98 36.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.077 -1.014 . . . . 0.0 111.132 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.45 -21.36 53.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.663 -1.273 . . . . 0.0 109.715 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -59.31 156.89 11.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.982 -1.074 . . . . 0.0 109.617 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.0 149.71 40.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.264 -0.897 . . . . 0.0 108.974 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.5 -5.32 57.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.612 -0.68 . . . . 0.0 109.411 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.07 129.92 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -122.7 135.31 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 CA-C-O 121.595 0.712 . . . . 0.0 109.792 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -81.53 132.44 35.31 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -83.26 130.23 35.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.254 -0.904 . . . . 0.0 109.034 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' A' ' 59' ' ' ARG . 22.2 mmm-85 -98.31 172.05 7.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.081 -1.012 . . . . 0.0 109.66 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 p30 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 0.0 111.174 -177.649 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 N--CA 1.494 1.767 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -143.83 145.03 32.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.147 -0.971 . . . . 0.0 109.441 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.7 t -70.35 110.82 5.51 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.028 -1.045 . . . . 0.0 108.389 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.4 p -66.74 -10.08 43.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.562 -0.711 . . . . 0.0 109.463 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.456 ' ND2' HD22 ' A' ' 32' ' ' LEU . 30.5 m-20 -96.47 -41.83 8.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.543 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.534 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.4 p -129.17 3.57 5.22 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.809 -1.182 . . . . 0.0 111.714 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 61.02 3.52 0.68 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.125 -0.984 . . . . 0.0 112.61 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.534 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.1 t -64.92 132.8 50.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.359 -1.463 . . . . 0.0 109.756 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -98.66 -12.22 21.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.487 -0.758 . . . . 0.0 109.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -99.98 121.95 42.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -0.977 . . . . 0.0 110.305 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.53 ' CB ' HD21 ' A' ' 34' ' ' ASN . 5.5 t -163.97 144.75 6.82 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 109.942 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.67 -17.48 11.11 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.013 1.809 . . . . 0.0 111.327 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD23 ' NH2' ' A' ' 24' ' ' ARG . 37.0 tp -152.65 128.85 10.47 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 122.002 0.906 . . . . 0.0 109.801 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -88.22 125.36 34.6 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.488 0.661 . . . . 0.0 109.559 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.507 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.2 mmt180 -107.08 174.31 5.94 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HG3' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -140.95 150.95 43.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.124 -0.985 . . . . 0.0 108.995 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.9 t-20 -90.97 140.58 26.12 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 108.798 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -42.96 -9.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.779 1.653 . . . . 0.0 112.457 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.2 mt-10 -96.17 2.53 53.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 108.959 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 7.96 83.35 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -85.24 137.73 36.95 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 120.602 -1.528 . . . . 0.0 107.771 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.07 134.21 15.84 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.073 1.849 . . . . 0.0 112.835 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD22 ' ND2' ' A' ' 14' ' ' ASN . 71.8 mt -124.1 160.03 28.67 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.7 p -82.19 -144.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.341 -1.474 . . . . 0.0 108.226 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.53 HD21 ' CB ' ' A' ' 20' ' ' THR . 1.3 p30 -80.87 -65.71 0.98 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.125 -0.984 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.22 93.64 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.6 m -58.23 -52.27 66.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.729 -1.857 . . . . 0.0 109.619 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.46 -45.0 95.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.497 HD21 ' CZ ' ' A' ' 24' ' ' ARG . 56.7 mt -68.75 -40.66 79.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.102 -1.234 . . . . 0.0 111.338 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.63 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.0 t80 -77.82 -48.07 17.38 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.123 -0.985 . . . . 0.0 111.286 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.18 -48.93 79.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 110.531 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.08 -40.42 89.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.955 -1.091 . . . . 0.0 109.559 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.16 -35.17 73.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.947 . . . . 0.0 111.551 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.63 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 45.5 m80 -92.37 -33.18 14.67 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.562 -1.336 . . . . 0.0 111.212 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.89 10.88 56.93 Favored Glycine 0 N--CA 1.491 2.319 0 O-C-N 120.641 -1.287 . . . . 0.0 111.1 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.66 145.74 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 120.757 -1.437 . . . . 0.0 110.367 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -49.89 153.41 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -0.928 . . . . 0.0 109.023 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -151.77 136.62 10.45 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.132 -0.98 . . . . 0.0 108.971 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -35.48 96.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.116 1.877 . . . . 0.0 113.358 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 51' ' ' LEU . 83.7 mt -59.15 -15.6 15.42 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.7 m -56.7 -5.82 0.26 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.6 -0.687 . . . . 0.0 109.68 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' A' ' 49' ' ' LEU . 89.5 mt -77.73 -19.54 55.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.138 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -53.08 150.55 5.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 109.617 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 t -149.63 158.27 44.02 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.578 -0.701 . . . . 0.0 109.424 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -88.08 -6.89 57.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.515 -0.741 . . . . 0.0 110.259 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -112.32 130.69 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.357 -0.839 . . . . 0.0 109.447 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.55 133.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.728 -0.608 . . . . 0.0 110.27 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.1 130.04 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -82.49 130.24 35.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.835 . . . . 0.0 109.901 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -96.37 158.43 15.44 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.866 0.841 . . . . 0.0 109.225 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 121.626 0.727 . . . . 0.0 110.191 -179.112 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.446 0.641 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.0 m -143.86 134.43 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.377 -0.827 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.4 t -64.37 109.22 1.85 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.779 -1.201 . . . . 0.0 108.988 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -67.51 -9.99 47.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.704 -0.623 . . . . 0.0 110.174 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -98.79 -40.01 8.34 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.917 . . . . 0.0 110.937 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.1 p -130.46 4.62 4.7 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.918 -1.114 . . . . 0.0 110.533 -178.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 56.13 5.27 0.16 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 113.039 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.7 t -62.31 129.76 42.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.017 -1.677 . . . . 0.0 109.265 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -98.38 -4.93 33.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.422 -0.799 . . . . 0.0 110.148 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -111.21 121.31 44.96 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.381 -0.825 . . . . 0.0 109.34 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.04 147.68 6.91 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.913 -1.117 . . . . 0.0 109.921 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.22 -18.3 12.73 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.03 1.82 . . . . 0.0 112.076 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.504 HD23 ' NH2' ' A' ' 24' ' ' ARG . 29.5 tp -154.07 128.05 8.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.248 -0.908 . . . . 0.0 110.182 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -88.04 127.77 35.4 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.388 0.614 . . . . 0.0 110.016 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.504 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.9 mmt180 -109.41 176.3 5.13 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HG2' HH11 ' A' ' 25' ' ' ARG . 10.6 ptt-85 -137.39 151.28 48.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLU . 27.6 t30 -86.88 141.81 33.77 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.364 -0.835 . . . . 0.0 108.956 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.53 -11.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.314 1.343 . . . . 0.0 111.884 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.2 mt-10 -99.71 6.38 45.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.383 -0.823 . . . . 0.0 109.745 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.47 15.75 70.47 Favored Glycine 0 N--CA 1.492 2.379 0 O-C-N 121.309 -0.87 . . . . 0.0 111.245 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -91.9 114.63 62.63 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 120.654 -1.497 . . . . 0.0 109.297 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.31 132.55 24.09 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.852 1.701 . . . . 0.0 112.814 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.8 mt -127.38 159.84 33.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.3 p -84.19 -140.39 0.07 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.4 -1.437 . . . . 0.0 108.836 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -82.11 -70.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 112.046 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -33.73 75.97 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 113.613 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.17 -56.59 19.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.162 -1.587 . . . . 0.0 110.258 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.73 -41.98 99.76 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.88 -40.16 83.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.098 -1.236 . . . . 0.0 110.988 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 43.1 t80 -80.73 -46.87 14.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 111.721 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 tp -60.91 -50.04 75.01 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.101 -1.0 . . . . 0.0 110.19 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 3.1 ttmp? -59.92 -49.08 79.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.014 -1.054 . . . . 0.0 110.271 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.96 -32.49 70.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.234 -0.916 . . . . 0.0 111.375 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 73.8 m80 -93.91 -38.2 11.32 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.644 -1.285 . . . . 0.0 111.415 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.73 60.53 Favored Glycine 0 N--CA 1.492 2.416 0 O-C-N 120.555 -1.34 . . . . 0.0 111.524 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.08 163.97 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.865 -1.373 . . . . 0.0 109.899 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.6 m -51.36 145.41 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.153 -0.967 . . . . 0.0 109.379 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 49' ' ' LEU . 5.4 ttm180 -130.37 112.31 16.74 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.739 -0.6 . . . . 0.0 109.769 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 50' ' ' SER . 71.2 Cg_exo -47.51 96.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 120.936 1.09 . . . . 0.0 110.011 177.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ARG . 90.0 mt -56.25 -10.48 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.224 -0.923 . . . . 0.0 108.763 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 48' ' ' PRO . 20.6 m -59.93 -10.82 4.47 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.71 -29.01 61.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -50.89 147.85 4.65 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.882 . . . . 0.0 110.185 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.39 158.35 44.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.426 -0.797 . . . . 0.0 109.679 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -85.76 -10.46 55.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.95 128.54 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.229 -0.92 . . . . 0.0 109.415 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.5 mt -120.68 134.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -70.79 120.67 16.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.089 -1.007 . . . . 0.0 108.947 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -83.44 134.9 34.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.42 HH11 ' HG3' ' A' ' 59' ' ' ARG . 17.8 mmm-85 -102.37 167.54 9.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.35 -178.698 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -139.26 146.96 41.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.328 -0.857 . . . . 0.0 109.442 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.8 t -75.42 111.0 10.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.153 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.6 p -69.0 -10.62 58.43 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.717 -0.614 . . . . 0.0 110.579 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' ND2' HD22 ' A' ' 32' ' ' LEU . 41.5 m-20 -97.36 -39.25 9.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.025 -1.047 . . . . 0.0 110.678 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.668 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.3 p -129.59 6.14 5.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.928 -1.107 . . . . 0.0 111.173 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 56.39 1.41 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.103 -0.998 . . . . 0.0 112.561 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.668 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -63.65 130.92 46.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.27 -1.519 . . . . 0.0 109.332 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -102.55 -6.32 22.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -102.91 117.93 35.71 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.81 148.75 6.67 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 109.948 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.1 -17.6 13.37 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.037 1.825 . . . . 0.0 112.226 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.525 HD23 ' NH2' ' A' ' 24' ' ' ARG . 22.1 tp -156.91 122.26 4.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.971 -1.081 . . . . 0.0 110.889 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -79.99 128.1 33.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.1 mmt180 -108.36 173.33 6.37 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -140.04 149.58 43.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.516 -0.74 . . . . 0.0 109.176 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.0 t-20 -87.89 140.95 31.22 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -47.2 -6.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.177 1.251 . . . . 0.0 112.002 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' ASN . 66.8 mm-40 -101.64 -0.36 34.84 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.325 -0.859 . . . . 0.0 109.557 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 23.3 38.58 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.281 -0.887 . . . . 0.0 111.287 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.56 111.67 60.65 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 120.842 -1.387 . . . . 0.0 108.648 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.53 131.28 32.24 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 121.922 1.748 . . . . 0.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.498 HD22 ' ND2' ' A' ' 14' ' ' ASN . 85.4 mt -129.78 159.47 36.43 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.14 -140.45 0.06 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.384 -1.448 . . . . 0.0 108.732 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 21.9 p-10 -81.84 -69.91 0.58 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 111.667 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -65.56 -33.31 75.61 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -55.62 -55.71 28.9 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 119.957 -1.714 . . . . 0.0 109.888 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -41.39 97.33 Favored Glycine 0 N--CA 1.489 2.226 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.781 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.88 -40.01 79.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.874 -1.368 . . . . 0.0 111.007 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 19.7 t80 -80.74 -42.19 22.28 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.012 -1.055 . . . . 0.0 111.004 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.5 -53.31 56.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.193 -0.942 . . . . 0.0 110.406 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.07 -40.8 90.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.907 -1.121 . . . . 0.0 110.578 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.99 -30.63 68.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.077 -1.014 . . . . 0.0 111.092 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CZ ' ' A' ' 39' ' ' PHE . 69.1 m80 -98.38 -21.62 16.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.762 -1.211 . . . . 0.0 110.516 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.06 9.36 40.66 Favored Glycine 0 N--CA 1.491 2.36 0 O-C-N 120.523 -1.36 . . . . 0.0 110.844 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.68 145.2 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.042 -1.269 . . . . 0.0 109.136 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 46' ' ' VAL . 23.1 m -56.01 125.22 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' PRO . 19.4 ttp180 -93.85 131.15 32.62 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.415 -0.803 . . . . 0.0 109.208 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ARG . 84.5 Cg_exo -40.38 104.88 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.163 1.242 . . . . 0.0 110.614 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.91 -12.97 3.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.603 -0.686 . . . . 0.0 109.426 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -60.96 -19.6 61.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.423 -0.798 . . . . 0.0 110.15 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.2 mt -77.07 -24.6 51.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.102 -0.999 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -57.35 157.2 6.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.925 . . . . 0.0 108.786 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.07 159.45 43.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.964 -1.085 . . . . 0.0 109.525 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -86.49 -6.88 58.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 109.598 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.09 136.66 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.8 mt -127.94 140.01 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.312 -0.868 . . . . 0.0 109.878 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -81.84 130.03 34.94 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -85.13 134.93 34.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 108.96 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 59' ' ' ARG . 42.3 mtt-85 -98.05 164.02 12.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.117 -0.99 . . . . 0.0 109.318 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 . . . . . 0 N--CA 1.488 1.475 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 -178.507 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.29 0.566 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.7 m -147.58 145.31 28.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.362 -0.836 . . . . 0.0 109.255 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.8 t -71.58 111.38 6.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.141 -0.974 . . . . 0.0 109.015 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 p -68.36 -9.12 45.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -96.92 -42.35 7.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.5 p -129.86 3.02 4.89 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.968 -1.083 . . . . 0.0 111.196 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 58.75 4.86 0.42 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.189 -0.944 . . . . 0.0 112.897 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -66.22 132.84 49.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.087 -1.633 . . . . 0.0 110.536 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -101.67 -2.36 30.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.569 -0.707 . . . . 0.0 109.963 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -108.98 119.1 38.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.336 -0.853 . . . . 0.0 108.747 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -164.15 144.75 6.64 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -76.34 -18.61 15.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.139 1.893 . . . . 0.0 111.96 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.566 HD23 HH21 ' A' ' 24' ' ' ARG . 28.0 tp -154.52 124.72 6.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.184 -0.947 . . . . 0.0 110.306 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -83.98 128.86 34.84 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.58 0.705 . . . . 0.0 110.159 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.566 HH21 HD23 ' A' ' 22' ' ' LEU . 29.3 mmt180 -111.97 178.71 4.22 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -139.26 154.55 47.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 109.497 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 15.6 t30 -93.4 141.46 23.97 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -44.12 -10.6 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.576 1.518 . . . . 0.0 112.385 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.1 mm-40 -92.79 5.75 50.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.011 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.7 5.58 88.03 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -86.33 146.49 42.39 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 120.948 -1.325 . . . . 0.0 108.894 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.03 138.44 18.31 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.299 1.999 . . . . 0.0 113.168 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.9 mt -129.25 159.98 34.39 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 30.1 p -85.0 -134.07 0.05 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.447 -1.408 . . . . 0.0 109.123 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.492 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 4.7 p30 -83.19 -83.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.136 -0.977 . . . . 0.0 112.131 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.24 -27.96 68.82 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 m -56.37 -54.09 49.63 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 119.967 -1.708 . . . . 0.0 110.203 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.36 -44.65 64.17 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.461 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.908 -1.348 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 42.9 t80 -76.09 -46.4 29.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.596 -0.69 . . . . 0.0 111.68 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.08 -50.44 71.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.944 -1.097 . . . . 0.0 110.965 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -59.92 -42.15 93.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.94 -30.36 67.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.046 -1.034 . . . . 0.0 110.622 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -94.13 -36.94 11.84 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.717 -1.239 . . . . 0.0 111.143 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.08 10.19 55.85 Favored Glycine 0 N--CA 1.493 2.435 0 O-C-N 120.571 -1.331 . . . . 0.0 111.507 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.38 146.93 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.897 -1.354 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 m -54.16 144.3 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.305 -0.872 . . . . 0.0 109.386 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HE ' ' HD2' ' A' ' 48' ' ' PRO . 2.5 tpm_? -150.03 128.52 6.0 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.437 ' HD2' ' HE ' ' A' ' 47' ' ' ARG . 41.8 Cg_exo -34.27 108.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.124 1.883 . . . . 0.0 112.977 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.69 -8.39 2.02 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.7 p -58.61 -13.94 7.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.442 -0.787 . . . . 0.0 109.497 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.33 -30.61 66.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 108.335 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.495 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 10.1 tmtt? -55.87 155.75 5.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.462 -0.774 . . . . 0.0 109.711 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.06 148.13 36.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.451 -0.781 . . . . 0.0 109.519 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.495 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 75.8 m-20 -87.97 -4.61 58.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.495 -0.753 . . . . 0.0 109.216 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -110.27 125.92 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.98 134.1 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.555 0.693 . . . . 0.0 110.15 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -81.51 131.93 35.3 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -80.51 131.77 35.59 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.16 -0.962 . . . . 0.0 108.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -100.37 167.39 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.827 . . . . 0.0 108.966 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.9 p30 . . . . . 0 C--N 1.3 -1.561 0 O-C-N 121.454 -0.779 . . . . 0.0 110.014 -178.671 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.0 m -141.28 148.76 40.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.722 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.3 t -77.03 112.89 14.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.469 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -10.27 48.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 109.987 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.418 ' OD1' HD22 ' A' ' 32' ' ' LEU . 3.7 m120 -98.96 -40.15 8.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.346 -0.846 . . . . 0.0 110.511 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.636 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.9 p -132.38 10.53 4.46 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.952 -1.093 . . . . 0.0 111.591 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 52.0 -0.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.684 -1.26 . . . . 0.0 112.617 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.636 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.3 t -60.06 134.96 57.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.156 -1.59 . . . . 0.0 109.788 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -102.89 -11.98 17.86 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.345 -0.847 . . . . 0.0 109.384 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -98.27 119.98 37.89 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.189 -0.945 . . . . 0.0 108.976 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -163.43 146.23 8.02 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.8 -20.76 13.16 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.188 1.925 . . . . 0.0 112.055 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.555 HD23 ' NH2' ' A' ' 24' ' ' ARG . 22.7 tp -155.41 120.55 4.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 110.13 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.33 129.23 34.53 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.555 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.3 mmt180 -109.93 -179.29 3.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.56 149.86 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.259 -0.901 . . . . 0.0 109.398 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.2 t30 -88.03 141.0 30.98 Favored Pre-proline 0 N--CA 1.489 1.521 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.25 -9.82 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.607 1.538 . . . . 0.0 112.777 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.7 mt-10 -98.05 7.05 46.9 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.056 -1.027 . . . . 0.0 109.726 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.22 10.78 77.2 Favored Glycine 0 N--CA 1.494 2.547 0 O-C-N 121.276 -0.89 . . . . 0.0 111.316 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -90.91 142.16 27.3 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 120.712 -1.463 . . . . 0.0 108.415 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.25 133.8 15.13 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.8 1.666 . . . . 0.0 112.783 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD22 ' OD1' ' A' ' 14' ' ' ASN . 83.0 mt -125.64 159.71 31.51 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.5 -143.76 0.07 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.424 -1.422 . . . . 0.0 107.664 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.506 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 29.8 p-10 -81.19 -68.08 0.72 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.865 -1.147 . . . . 0.0 111.921 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.506 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.12 -37.7 86.1 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.0 m -58.03 -56.73 18.28 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.125 -1.609 . . . . 0.0 110.651 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.92 99.13 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.67 -40.04 88.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.245 . . . . 0.0 110.146 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 57.9 t80 -80.32 -48.3 13.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.561 -0.712 . . . . 0.0 111.611 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.14 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 109.841 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.05 -43.36 95.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.946 -1.096 . . . . 0.0 110.714 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.16 -31.0 68.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.039 -1.038 . . . . 0.0 111.738 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.644 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 55.2 m80 -96.84 -34.31 11.33 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.69 -1.256 . . . . 0.0 111.002 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.65 13.62 46.61 Favored Glycine 0 N--CA 1.49 2.266 0 O-C-N 120.587 -1.32 . . . . 0.0 111.203 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.35 140.79 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.931 -1.335 . . . . 0.0 110.205 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -59.36 140.08 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-O 121.375 0.607 . . . . 0.0 109.684 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.608 HH11 ' CG ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -152.36 138.27 11.62 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 108.576 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -33.05 108.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.44 2.094 . . . . 0.0 113.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.77 -7.23 3.31 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.7 m -57.83 -9.99 1.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 0.0 109.016 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.75 -29.48 65.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.261 -0.9 . . . . 0.0 108.638 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -57.64 154.97 10.56 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.375 -0.828 . . . . 0.0 109.641 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.48 150.25 40.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.254 -0.904 . . . . 0.0 109.26 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -86.94 -7.17 58.43 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.308 -0.87 . . . . 0.0 109.809 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 p -108.38 129.69 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.12 133.56 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.452 -0.78 . . . . 0.0 110.059 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -84.04 131.28 34.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.463 -0.773 . . . . 0.0 109.036 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -82.06 129.89 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 59' ' ' ARG . 22.3 mtt-85 -98.08 169.94 9.26 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.327 -0.858 . . . . 0.0 109.003 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 p30 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.207 -0.933 . . . . 0.0 110.901 -178.057 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.26 0.552 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m -143.99 146.97 33.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 0.0 109.731 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -71.42 109.69 5.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.049 -1.032 . . . . 0.0 109.749 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 p -68.66 -7.76 36.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.919 -0.488 . . . . 0.0 109.745 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -98.07 -40.08 8.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.305 -0.872 . . . . 0.0 110.573 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.606 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.8 p -132.1 6.09 4.21 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.967 -1.083 . . . . 0.0 110.53 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 57.11 4.96 0.21 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.9 . . . . 0.0 112.567 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.606 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.8 t -64.22 132.4 50.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.137 -1.602 . . . . 0.0 109.601 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.03 -9.95 22.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.474 -0.766 . . . . 0.0 109.364 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -100.34 118.94 37.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.371 -0.831 . . . . 0.0 109.332 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -165.87 141.21 4.03 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.035 -1.041 . . . . 0.0 110.268 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.79 -17.99 10.66 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.352 2.035 . . . . 0.0 112.811 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 HH12 ' A' ' 24' ' ' ARG . 42.5 tp -150.69 126.17 10.15 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.823 -1.173 . . . . 0.0 109.96 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -88.72 123.68 33.39 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.6 0.714 . . . . 0.0 111.223 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.642 ' NH2' HD21 ' A' ' 38' ' ' LEU . 1.7 mmt-85 -107.13 179.63 4.2 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.9 151.9 45.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.24 -0.912 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -88.59 139.57 29.73 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.557 -0.714 . . . . 0.0 109.208 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.53 -13.29 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.938 1.758 . . . . 0.0 112.493 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -94.93 8.29 43.27 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 6.19 88.33 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -86.9 143.59 35.5 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.859 -1.377 . . . . 0.0 108.37 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.1 140.49 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.391 2.06 . . . . 0.0 113.056 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.2 mt -127.1 157.49 39.53 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.3 p -82.4 -156.45 0.17 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -80.04 -48.21 13.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.625 -1.297 . . . . 0.0 111.942 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -42.57 76.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.542 -1.349 . . . . 0.0 112.692 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.5 m -57.81 -53.95 52.41 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.549 -1.344 . . . . 0.0 110.703 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.69 -41.22 99.56 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.642 HD21 ' NH2' ' A' ' 24' ' ' ARG . 84.6 mt -69.98 -45.64 66.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.148 -1.207 . . . . 0.0 112.819 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 28.3 t80 -79.0 -43.4 24.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.656 -1.277 . . . . 0.0 111.218 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.2 -51.19 70.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.094 -1.004 . . . . 0.0 110.813 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.82 -40.33 97.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.039 -1.038 . . . . 0.0 110.899 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.97 -35.79 74.71 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.195 -0.941 . . . . 0.0 111.028 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.4 m80 -93.65 -31.55 14.42 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.655 -1.278 . . . . 0.0 110.623 -178.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.69 16.82 61.76 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 120.772 -1.205 . . . . 0.0 111.235 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.51 170.04 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.902 -1.352 . . . . 0.0 109.439 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 m -48.97 142.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.828 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -120.7 107.16 38.72 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -46.13 96.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.472 1.448 . . . . 0.0 110.936 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.49 -16.57 25.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.451 -0.78 . . . . 0.0 110.057 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.5 p -61.18 -11.93 10.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.962 -1.086 . . . . 0.0 109.346 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.91 -24.92 40.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 109.499 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -54.07 155.79 3.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.18 -0.95 . . . . 0.0 109.001 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.19 154.03 41.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.174 -0.954 . . . . 0.0 109.49 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -89.33 -2.69 58.53 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -109.11 124.79 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.21 142.72 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.574 -0.704 . . . . 0.0 109.211 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -78.79 123.39 27.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.531 -0.73 . . . . 0.0 110.08 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -86.0 135.52 33.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.402 -0.811 . . . . 0.0 109.4 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -110.19 165.57 11.65 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.434 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -138.59 150.47 46.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.313 -0.867 . . . . 0.0 109.799 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.4 t -76.54 111.3 11.88 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.8 p -68.3 -9.11 45.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.56 -0.713 . . . . 0.0 110.077 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -97.39 -39.65 9.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.442 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.467 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 12.6 p -131.77 13.07 4.87 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.95 -1.094 . . . . 0.0 111.378 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 59.65 6.53 0.86 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.109 -0.995 . . . . 0.0 112.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.492 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 15.7 m -64.01 121.2 13.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.354 -1.466 . . . . 0.0 110.174 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -99.65 0.11 41.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.562 -0.711 . . . . 0.0 109.36 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -120.05 130.08 54.53 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.565 -0.709 . . . . 0.0 109.229 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.401 ' CB ' HD22 ' A' ' 34' ' ' ASN . 1.5 t -168.37 150.02 4.82 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.97 . . . . 0.0 109.62 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -82.62 -17.58 7.26 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.903 1.735 . . . . 0.0 110.812 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.537 HD23 ' NH2' ' A' ' 24' ' ' ARG . 19.3 tp -150.01 121.64 8.03 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.918 0.866 . . . . 0.0 110.129 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -84.98 123.08 30.12 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.591 0.71 . . . . 0.0 109.446 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.537 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.9 mmt180 -104.97 170.17 8.02 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -137.46 151.25 48.28 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.315 -0.865 . . . . 0.0 109.585 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.2 t30 -89.44 142.75 29.86 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -43.85 -11.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.506 1.471 . . . . 0.0 112.715 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -101.9 4.88 40.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.094 -1.004 . . . . 0.0 109.836 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.0 21.4 57.41 Favored Glycine 0 N--CA 1.493 2.442 0 O-C-N 121.189 -0.944 . . . . 0.0 111.432 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -95.64 112.26 58.44 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 120.795 -1.415 . . . . 0.0 109.555 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -48.91 138.79 26.36 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 121.931 1.754 . . . . 0.0 113.602 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.8 mt -135.48 159.5 41.39 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.432 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.1 p -82.86 -145.9 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.247 -1.533 . . . . 0.0 107.919 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 1.6 p30 -81.53 -63.43 1.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.025 -1.047 . . . . 0.0 110.815 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.175 -0.953 . . . . 0.0 113.377 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 99.3 m -58.71 -53.9 53.15 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.01 -1.681 . . . . 0.0 110.475 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.99 96.71 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.67 -40.07 80.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.168 -1.195 . . . . 0.0 110.252 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 39.5 t80 -75.73 -50.55 14.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 111.653 -178.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -60.03 -50.4 73.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 110.471 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -59.98 -45.05 93.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.812 -1.18 . . . . 0.0 110.494 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.03 -38.73 75.97 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.998 -1.064 . . . . 0.0 110.714 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 65.6 m80 -86.43 -40.0 15.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.14 17.72 68.3 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 120.77 -1.207 . . . . 0.0 110.914 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.6 m -140.1 171.7 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.088 -1.243 . . . . 0.0 109.237 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 m -44.9 138.82 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.534 HH11 ' HG2' ' A' ' 47' ' ' ARG . 3.9 ttt-85 -99.72 133.29 21.88 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.43 -0.794 . . . . 0.0 109.032 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.434 ' C ' ' N ' ' A' ' 50' ' ' SER . 55.4 Cg_endo -71.83 81.58 1.34 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.14 1.227 . . . . 0.0 109.908 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.91 -10.11 0.71 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.4 -0.813 . . . . 0.0 108.868 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.434 ' N ' ' C ' ' A' ' 48' ' ' PRO . 37.7 m -58.67 -11.04 2.67 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.95 6.07 34.01 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 42.6 tptt -59.32 130.08 45.19 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.351 -0.843 . . . . 0.0 110.661 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.43 153.68 35.15 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.285 0.564 . . . . 0.0 109.999 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -98.33 -2.95 38.18 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.473 -0.767 . . . . 0.0 108.96 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.23 131.15 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.547 -0.721 . . . . 0.0 109.25 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.9 mt -124.54 137.45 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 CA-C-O 121.431 0.634 . . . . 0.0 109.713 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -70.16 123.51 21.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.377 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -87.62 135.84 33.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.216 -0.928 . . . . 0.0 109.681 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 59' ' ' ARG . 36.6 mtt-85 -105.02 170.7 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.875 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 C--N 1.301 -1.526 0 CA-C-O 121.52 0.676 . . . . 0.0 109.924 -178.861 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.371 0.605 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.62 147.92 38.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.042 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -70.87 109.96 5.33 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 109.461 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -66.09 -12.5 55.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.866 -0.521 . . . . 0.0 110.395 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.456 ' ND2' HD21 ' A' ' 32' ' ' LEU . 3.7 m-80 -101.06 -35.21 9.43 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.382 -0.824 . . . . 0.0 112.103 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.574 ' SG ' HG22 ' A' ' 17' ' ' THR . 7.4 p -131.64 8.29 4.53 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.613 -1.304 . . . . 0.0 110.511 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 54.77 1.61 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 0.0 112.961 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.574 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.7 t -63.93 130.55 44.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.012 -1.68 . . . . 0.0 109.639 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -100.26 -10.2 21.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -102.54 120.66 40.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.368 -0.833 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 t -163.33 145.17 7.65 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.725 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.67 -20.3 15.7 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.774 1.65 . . . . 0.0 111.244 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.49 HD23 ' NH2' ' A' ' 24' ' ' ARG . 34.2 tp -152.87 130.07 11.21 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.383 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -87.47 124.32 33.31 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.5 mmt180 -105.32 171.97 7.04 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -135.96 150.38 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.312 -0.868 . . . . 0.0 108.956 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 12.9 t30 -91.34 139.49 25.38 Favored Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.49 -11.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.062 1.841 . . . . 0.0 113.052 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.6 mt-10 -99.98 5.64 45.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.939 -1.101 . . . . 0.0 109.663 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 16.1 69.17 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.262 -0.899 . . . . 0.0 111.349 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -93.71 113.49 60.53 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.725 -1.456 . . . . 0.0 108.91 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.9 138.09 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 121.558 1.505 . . . . 0.0 112.952 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD21 ' ND2' ' A' ' 14' ' ' ASN . 66.4 mt -131.5 159.99 36.51 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.1 p -86.59 -141.81 0.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.521 -1.362 . . . . 0.0 108.418 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.506 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 31.7 p-10 -81.99 -69.92 0.58 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.757 -1.214 . . . . 0.0 112.106 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.506 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.92 -32.93 73.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.072 -1.018 . . . . 0.0 113.299 -176.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 m -58.01 -56.4 22.55 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.95 98.41 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.309 -1.117 . . . . 0.0 110.309 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.22 -39.99 78.25 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.263 -1.139 . . . . 0.0 112.433 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -79.19 -48.85 13.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.676 -1.265 . . . . 0.0 112.27 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.01 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.019 -1.051 . . . . 0.0 109.917 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.78 -42.82 98.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.161 -0.962 . . . . 0.0 110.363 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.3 mt -70.0 -34.82 73.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.065 -1.022 . . . . 0.0 111.224 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.645 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 54.0 m80 -92.13 -39.59 11.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.754 -1.216 . . . . 0.0 110.93 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.41 18.29 69.48 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 120.567 -1.333 . . . . 0.0 111.56 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.4 m -139.21 174.85 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.925 -1.338 . . . . 0.0 109.444 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -43.84 136.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.407 -0.808 . . . . 0.0 109.566 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -119.3 98.44 50.48 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.886 -0.509 . . . . 0.0 109.974 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.05 98.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 121.682 1.588 . . . . 0.0 110.937 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.1 -12.37 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 109.33 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 t -60.02 -11.98 7.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.316 -0.865 . . . . 0.0 109.746 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.5 mt -78.35 -15.06 59.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.078 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -55.28 147.01 17.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.974 -1.079 . . . . 0.0 109.628 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.79 152.61 39.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.406 -0.809 . . . . 0.0 109.484 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -88.46 -8.38 55.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.414 -0.804 . . . . 0.0 109.875 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -110.02 123.97 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.341 -0.85 . . . . 0.0 109.355 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.3 mt -115.75 129.96 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.652 -0.655 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.13 129.96 37.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.31 -0.869 . . . . 0.0 109.587 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 58' ' ' LYS . 13.3 mptt -85.69 129.99 34.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.329 -0.857 . . . . 0.0 109.457 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -97.72 167.44 10.95 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.198 -0.939 . . . . 0.0 109.576 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.967 -178.205 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -145.04 149.3 34.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.411 -0.806 . . . . 0.0 109.266 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.34 111.1 7.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.043 -1.036 . . . . 0.0 108.518 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -67.83 -9.14 42.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.385 -0.822 . . . . 0.0 109.832 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -95.88 -40.96 9.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.319 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.684 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.4 p -131.22 4.0 4.36 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.998 -1.064 . . . . 0.0 111.793 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 57.11 3.63 0.15 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.902 -1.124 . . . . 0.0 112.964 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.684 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -65.14 134.56 54.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.126 -1.609 . . . . 0.0 109.224 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -99.8 -5.41 28.65 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.562 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -103.08 117.25 34.15 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.43 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -161.09 142.73 8.91 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 108.955 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.84 -19.62 9.59 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.827 1.685 . . . . 0.0 112.832 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.582 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.9 tp -154.86 123.71 6.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 0.0 109.548 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.92 127.77 32.65 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.429 0.633 . . . . 0.0 111.043 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.5 mmt180 -114.49 178.1 4.4 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -147.49 158.35 43.95 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.001 -1.062 . . . . 0.0 110.17 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.579 ' O ' ' N ' ' A' ' 28' ' ' GLU . 13.2 t30 -85.9 142.83 36.89 Favored Pre-proline 0 N--CA 1.491 1.616 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.95 -8.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.701 1.6 . . . . 0.0 112.03 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.5 mt-10 -98.73 7.17 46.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 109.407 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.18 11.15 79.07 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 121.349 -0.844 . . . . 0.0 111.587 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -87.44 136.9 32.72 Favored Pre-proline 0 N--CA 1.497 1.9 0 O-C-N 120.583 -1.539 . . . . 0.0 108.666 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.04 134.56 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.28 1.987 . . . . 0.0 113.388 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -132.55 161.64 33.31 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.36 -166.23 1.54 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 6.4 m120 -73.29 -42.03 62.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.714 -1.241 . . . . 0.0 111.214 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.1 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.781 -1.199 . . . . 0.0 111.29 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -62.57 -50.35 71.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.684 -1.26 . . . . 0.0 111.113 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.03 72.09 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.637 -1.268 . . . . 0.0 110.424 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.9 mt -66.2 -39.92 90.02 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.013 -1.287 . . . . 0.0 109.954 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 29.9 t80 -72.58 -48.04 43.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.251 -0.906 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.437 HD23 ' OD1' ' A' ' 26' ' ' ASN . 39.2 tp -62.15 -53.04 61.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 111.102 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.845 -1.16 . . . . 0.0 110.641 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.94 -38.22 76.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 110.615 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 77.1 m80 -87.07 -38.95 16.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.748 -1.22 . . . . 0.0 110.518 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.79 10.66 32.8 Favored Glycine 0 N--CA 1.492 2.374 0 O-C-N 120.718 -1.239 . . . . 0.0 111.056 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.7 140.52 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.279 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.94 146.14 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.591 0.71 . . . . 0.0 110.741 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -158.33 137.7 8.34 Favored Pre-proline 0 N--CA 1.49 1.551 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -31.22 113.31 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.814 2.343 . . . . 0.0 114.148 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.65 -13.64 59.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -56.7 -11.55 1.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.41 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.86 -30.11 65.1 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -55.04 162.82 1.2 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 153.66 41.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.071 -1.018 . . . . 0.0 109.538 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -88.72 -4.34 58.55 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.326 -0.859 . . . . 0.0 109.033 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.34 129.32 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.0 mt -119.46 130.13 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.37 -0.831 . . . . 0.0 109.846 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -80.64 133.01 35.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.405 -0.809 . . . . 0.0 109.21 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -84.2 129.52 34.89 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 59' ' ' ARG . 53.9 mtt-85 -98.59 169.53 9.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.419 -0.8 . . . . 0.0 109.794 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 p30 . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.714 0.769 . . . . 0.0 110.385 -178.372 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 m -130.19 135.09 47.79 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.124 -0.985 . . . . 0.0 110.492 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.9 t -80.63 111.4 17.03 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -66.82 -11.59 55.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.516 -0.74 . . . . 0.0 110.054 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -100.21 -37.23 9.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.923 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.678 ' SG ' HG22 ' A' ' 17' ' ' THR . 4.8 p -132.75 7.49 4.09 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.666 -1.271 . . . . 0.0 111.482 -178.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 58.28 -3.71 0.07 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.94 -1.1 . . . . 0.0 112.786 176.806 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 ' SG ' ' A' ' 15' ' ' CYS . 5.6 t -64.62 133.38 52.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.162 -1.586 . . . . 0.0 110.71 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 27.8 mp0 -104.78 -5.51 21.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.664 -0.648 . . . . 0.0 109.68 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -100.05 114.29 27.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.145 -0.972 . . . . 0.0 109.187 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -165.23 147.83 6.8 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.213 -0.929 . . . . 0.0 109.74 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.92 -17.57 10.74 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.23 1.953 . . . . 0.0 112.408 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.549 HD23 HH21 ' A' ' 24' ' ' ARG . 18.7 tp -155.32 121.02 5.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.17 -0.956 . . . . 0.0 110.53 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -80.95 130.23 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.549 HH21 HD23 ' A' ' 22' ' ' LEU . 27.0 mmt180 -109.46 177.85 4.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.515 -0.741 . . . . 0.0 109.973 -178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -137.84 151.29 47.93 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.379 -0.825 . . . . 0.0 110.006 -179.174 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.5 t-20 -90.58 141.07 26.85 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 109.331 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.99 -11.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.468 1.445 . . . . 0.0 112.167 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.4 mt-10 -97.4 6.95 47.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 0.0 109.283 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.08 9.57 82.1 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.46 -0.775 . . . . 0.0 112.055 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -87.6 146.34 39.15 Favored Pre-proline 0 N--CA 1.497 1.875 0 O-C-N 120.548 -1.56 . . . . 0.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.79 132.34 10.71 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.064 1.842 . . . . 0.0 112.874 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.8 mt -126.27 159.99 31.56 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.5 p -84.48 -142.43 0.08 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.597 -1.314 . . . . 0.0 108.759 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.538 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 6.2 p-10 -81.09 -70.39 0.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.554 -1.341 . . . . 0.0 112.104 -178.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.42 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.76 -30.77 71.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.938 -1.101 . . . . 0.0 112.918 -176.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 m -58.61 -56.97 15.31 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.139 -1.601 . . . . 0.0 109.839 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.76 -45.79 95.52 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.12 -40.01 90.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.225 -1.162 . . . . 0.0 110.933 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.4 t80 -77.82 -49.76 13.66 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.303 -0.873 . . . . 0.0 111.336 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.48 -50.04 74.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.892 -1.13 . . . . 0.0 110.483 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -59.96 -45.17 93.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.068 -1.02 . . . . 0.0 110.733 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.0 -30.9 68.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.126 -0.984 . . . . 0.0 110.258 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.9 m80 -88.97 -38.29 14.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.92 -1.112 . . . . 0.0 110.611 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 10.02 55.29 Favored Glycine 0 N--CA 1.492 2.432 0 O-C-N 120.59 -1.319 . . . . 0.0 111.02 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 m -141.63 146.77 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.888 -1.36 . . . . 0.0 110.097 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.4 m -58.6 145.23 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.3 -0.875 . . . . 0.0 109.067 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.9 tpp180 -149.8 130.85 7.2 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 108.626 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.4 Cg_exo -34.13 116.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 122.09 1.86 . . . . 0.0 113.046 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.84 -7.25 2.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 48' ' ' PRO . 13.9 m -58.57 -17.57 22.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.22 -32.99 69.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.312 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HG2' ' N ' ' A' ' 53' ' ' THR . 24.6 ttpp -57.87 160.51 4.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 108.8 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.506 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -142.94 150.13 39.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.298 -0.876 . . . . 0.0 109.695 178.398 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -83.01 -6.83 59.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.562 -0.711 . . . . 0.0 109.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.73 127.75 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 109.43 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -119.67 131.15 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -81.07 133.17 35.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -82.88 130.33 35.12 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -99.86 169.94 8.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.093 -1.004 . . . . 0.0 109.225 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.881 0.848 . . . . 0.0 111.048 -178.196 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.409 0.623 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.9 m -146.32 141.19 27.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.515 -0.741 . . . . 0.0 109.113 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.26 109.65 3.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.675 -1.266 . . . . 0.0 109.164 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.7 p -66.25 -10.23 40.1 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.559 -0.713 . . . . 0.0 109.891 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -98.48 -39.82 8.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.852 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.575 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.2 p -131.7 8.03 4.49 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.854 -1.154 . . . . 0.0 111.413 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 54.57 4.33 0.06 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.854 -1.154 . . . . 0.0 112.707 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.575 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -64.51 133.32 52.15 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.078 -1.638 . . . . 0.0 109.98 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -101.54 -8.69 21.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.386 -0.821 . . . . 0.0 109.498 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -101.08 117.92 35.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 109.034 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.6 t -163.2 142.57 6.71 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 120.981 -1.074 . . . . 0.0 110.147 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.78 -20.22 15.56 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.123 1.882 . . . . 0.0 111.524 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.519 HD23 ' NH2' ' A' ' 24' ' ' ARG . 34.6 tp -154.61 125.02 6.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.269 -0.895 . . . . 0.0 110.273 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -83.55 127.48 33.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.732 -0.605 . . . . 0.0 109.587 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.6 mmt180 -107.77 173.82 6.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.437 -0.79 . . . . 0.0 109.691 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -138.11 153.91 49.24 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.7 t-20 -91.84 141.02 25.06 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.361 -0.837 . . . . 0.0 108.983 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.41 -12.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.607 1.538 . . . . 0.0 112.49 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -100.18 6.06 44.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.192 -0.943 . . . . 0.0 109.552 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 21.99 54.34 Favored Glycine 0 N--CA 1.492 2.427 0 O-C-N 121.463 -0.773 . . . . 0.0 111.611 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -96.95 110.61 54.55 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.695 -1.474 . . . . 0.0 109.365 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.16 136.65 30.4 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.116 1.877 . . . . 0.0 113.412 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -134.31 161.12 35.85 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.53 -142.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.562 -1.336 . . . . 0.0 107.987 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 19.6 p-10 -82.01 -69.55 0.61 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.774 -1.204 . . . . 0.0 111.895 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.453 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.39 -36.98 84.0 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.2 m -56.93 -54.32 47.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.952 -1.717 . . . . 0.0 110.066 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.52 -45.12 96.88 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.14 -40.4 82.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.142 -1.211 . . . . 0.0 110.518 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.7 t80 -79.34 -50.96 10.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -0.864 . . . . 0.0 112.296 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.01 -48.8 80.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.129 -0.982 . . . . 0.0 110.126 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -59.94 -46.19 90.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.023 -1.048 . . . . 0.0 109.747 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.95 -33.8 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.247 -0.908 . . . . 0.0 110.851 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.635 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.3 m80 -90.87 -38.55 12.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.622 -1.298 . . . . 0.0 111.192 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.29 9.12 28.41 Favored Glycine 0 N--CA 1.492 2.393 0 O-C-N 120.466 -1.396 . . . . 0.0 110.551 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.13 143.65 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 109.738 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.03 146.09 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.467 -0.77 . . . . 0.0 109.884 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 48' ' ' PRO . 11.3 tpp180 -150.05 133.03 8.37 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.488 ' C ' ' H ' ' A' ' 50' ' ' SER . 31.3 Cg_exo -33.72 108.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.112 1.875 . . . . 0.0 112.974 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.37 -6.94 0.75 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 48' ' ' PRO . 71.0 m -60.9 -11.28 7.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.581 -0.7 . . . . 0.0 110.354 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.99 -30.97 68.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.813 -1.179 . . . . 0.0 108.893 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.9 ttpt -55.83 159.05 3.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 0.0 109.824 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -147.07 154.4 41.13 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.602 0.715 . . . . 0.0 109.642 178.688 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -85.78 -7.38 58.79 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.9 125.52 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -117.35 131.75 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.554 -0.716 . . . . 0.0 109.929 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -71.02 123.13 21.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -82.46 132.25 35.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.186 -0.946 . . . . 0.0 109.803 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -102.91 169.99 8.25 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.988 0.899 . . . . 0.0 111.404 -177.14 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -138.76 152.14 47.68 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.395 -0.816 . . . . 0.0 109.185 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -75.19 111.63 10.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.035 -1.04 . . . . 0.0 109.38 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.7 p -67.63 -9.98 48.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.718 -0.614 . . . . 0.0 109.986 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.529 ' ND2' HD22 ' A' ' 32' ' ' LEU . 33.9 m-20 -98.23 -42.71 7.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.204 -0.935 . . . . 0.0 110.583 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.9 p -126.72 2.33 6.75 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.935 -1.103 . . . . 0.0 111.198 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 57.28 3.43 0.16 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.051 . . . . 0.0 112.688 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 5.8 t -64.55 131.04 45.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.281 -1.512 . . . . 0.0 109.838 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -98.21 -3.91 36.53 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -105.32 115.92 31.07 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t -164.22 143.5 6.11 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -77.16 -17.96 14.67 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.035 1.823 . . . . 0.0 112.897 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.531 HD23 ' NH2' ' A' ' 24' ' ' ARG . 27.7 tp -156.56 125.31 5.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.738 -1.226 . . . . 0.0 110.723 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -81.99 123.89 29.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.531 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.8 mmt180 -105.46 178.32 4.59 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -139.13 152.15 47.24 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.834 -179.146 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.3 t30 -92.42 141.78 25.21 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 109.527 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -43.67 -11.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.011 1.807 . . . . 0.0 112.501 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.6 mt-10 -96.78 6.76 48.05 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.246 -0.909 . . . . 0.0 109.463 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.08 9.23 82.7 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -88.46 148.52 42.44 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 120.62 -1.517 . . . . 0.0 108.689 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.43 137.29 10.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.456 2.104 . . . . 0.0 112.983 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD22 ' ND2' ' A' ' 14' ' ' ASN . 94.1 mt -130.06 160.17 34.53 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.414 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.8 p -83.16 -140.03 0.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.333 -1.48 . . . . 0.0 109.032 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 22.6 p-10 -82.72 -70.64 0.54 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.92 -1.113 . . . . 0.0 112.158 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.58 -35.0 79.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.914 -1.116 . . . . 0.0 113.212 -177.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.1 m -56.99 -55.71 31.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.221 -1.549 . . . . 0.0 110.113 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.6 -44.17 97.94 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.022 -1.085 . . . . 0.0 110.633 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.4 mt -66.75 -39.98 88.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.093 -1.239 . . . . 0.0 111.203 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.633 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 45.2 t80 -72.63 -49.21 33.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.291 -0.881 . . . . 0.0 111.195 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.59 -49.77 76.21 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.402 -0.811 . . . . 0.0 110.823 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.99 -46.41 89.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.963 -1.085 . . . . 0.0 109.665 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.91 -37.44 75.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.598 -0.689 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.633 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 65.8 m80 -88.03 -41.07 13.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.634 -1.291 . . . . 0.0 110.494 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.9 7.63 37.33 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.652 -1.28 . . . . 0.0 110.154 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.86 142.8 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.246 -1.15 . . . . 0.0 109.951 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -59.21 139.29 19.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.397 -0.814 . . . . 0.0 108.999 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -147.31 130.52 8.09 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -36.4 116.04 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 122.113 1.875 . . . . 0.0 113.002 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.64 -6.43 7.73 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.6 t -57.05 -15.35 5.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.89 -37.96 64.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.186 -0.946 . . . . 0.0 109.318 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 53' ' ' THR . 29.8 tttp -56.42 167.05 0.75 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.063 -1.023 . . . . 0.0 109.347 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.43 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -148.01 155.75 41.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.348 -0.845 . . . . 0.0 109.584 178.86 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.87 -0.18 57.13 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.81 127.47 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -124.91 136.3 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -86.77 138.87 31.26 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.357 -0.839 . . . . 0.0 108.795 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -84.32 135.74 34.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' A' ' 59' ' ' ARG . 5.4 mmt-85 -100.65 166.77 10.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.876 . . . . 0.0 109.437 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 . . . . . 0 C--N 1.3 -1.569 0 CA-C-O 121.689 0.757 . . . . 0.0 110.088 -178.489 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.612 0.72 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.3 m -144.84 148.47 34.02 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.5 t -76.03 110.72 10.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.144 -0.972 . . . . 0.0 109.389 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.6 p -66.9 -11.12 55.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.683 -0.635 . . . . 0.0 110.492 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -98.07 -38.67 9.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.359 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.701 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.2 p -132.71 4.63 3.91 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 55.73 6.61 0.21 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 112.472 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.701 HG22 ' SG ' ' A' ' 15' ' ' CYS . 15.0 t -66.12 130.35 42.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 119.985 -1.697 . . . . 0.0 109.697 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.97 -4.44 30.08 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -105.47 115.44 30.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.496 -0.753 . . . . 0.0 109.259 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -165.46 147.82 6.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -78.7 -18.19 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.115 1.876 . . . . 0.0 112.665 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD23 ' NH2' ' A' ' 24' ' ' ARG . 26.1 tp -152.76 125.03 8.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.12 -0.988 . . . . 0.0 110.289 -178.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -86.51 127.78 34.91 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 121.417 0.627 . . . . 0.0 109.53 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.462 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.5 mmt180 -109.41 176.93 4.9 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.484 HH11 ' HG2' ' A' ' 25' ' ' ARG . 13.9 ptt-85 -136.53 153.19 51.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.407 -0.808 . . . . 0.0 110.039 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.6 t-20 -88.96 138.86 29.05 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.031 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.78 -11.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.564 1.51 . . . . 0.0 111.718 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.7 mt-10 -101.1 5.62 42.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.33 -0.857 . . . . 0.0 109.395 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 12.64 70.82 Favored Glycine 0 N--CA 1.491 2.356 0 O-C-N 121.52 -0.737 . . . . 0.0 111.877 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -93.55 114.6 63.37 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 120.381 -1.658 . . . . 0.0 109.195 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.08 141.4 22.82 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.461 2.107 . . . . 0.0 114.3 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD11 HD22 ' A' ' 26' ' ' ASN . 95.5 mt -134.57 159.9 39.76 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.4 p -85.93 -148.06 0.12 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.48 -1.387 . . . . 0.0 108.149 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 14.4 p-10 -77.12 -67.45 0.71 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.009 -1.057 . . . . 0.0 111.906 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.21 -37.6 87.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 0.0 113.241 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.46 -55.67 32.08 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 119.884 -1.76 . . . . 0.0 110.271 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.2 96.55 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.371 -1.091 . . . . 0.0 110.371 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.1 mt -67.44 -40.26 85.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.43 -1.041 . . . . 0.0 110.067 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 59.3 t80 -75.8 -46.35 31.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.497 -0.752 . . . . 0.0 111.61 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.57 -50.15 70.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.12 -45.54 92.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 0.0 110.342 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.51 -33.25 69.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.065 -1.022 . . . . 0.0 111.955 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.641 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 50.0 m80 -91.8 -38.49 12.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.563 -1.335 . . . . 0.0 111.521 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.08 5.12 25.17 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.637 -1.289 . . . . 0.0 111.281 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.3 141.43 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.121 -1.223 . . . . 0.0 109.596 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -55.87 144.67 7.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 CA-C-O 121.402 0.62 . . . . 0.0 110.03 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.2 tpt180 -150.71 129.19 6.04 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.5 Cg_exo -31.29 108.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.164 1.909 . . . . 0.0 113.337 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.07 -12.94 9.46 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -60.0 -9.99 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.63 -37.15 73.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.968 -1.082 . . . . 0.0 109.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HG2' ' H ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -54.06 166.65 0.35 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.441 ' H ' ' HG2' ' A' ' 52' ' ' LYS . 5.7 t -148.15 155.86 41.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.863 -1.148 . . . . 0.0 110.109 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -85.99 -0.8 56.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.6 -0.688 . . . . 0.0 110.199 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 55' ' ' VAL . 6.2 p -118.58 129.6 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.303 -0.873 . . . . 0.0 108.889 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -121.04 135.23 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.65 129.89 35.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -0.861 . . . . 0.0 109.609 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -82.69 130.52 35.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.977 -1.077 . . . . 0.0 108.353 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -104.04 170.6 7.82 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.338 -0.851 . . . . 0.0 109.527 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.824 0.821 . . . . 0.0 110.382 -178.889 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.8 m -131.4 141.44 49.86 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.637 0.732 . . . . 0.0 110.194 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.2 t -71.74 112.53 7.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.52 -0.738 . . . . 0.0 109.041 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -68.61 -9.72 51.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.714 -0.616 . . . . 0.0 109.993 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.502 ' ND2' HD22 ' A' ' 32' ' ' LEU . 74.6 m-20 -97.33 -39.1 9.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 0.0 110.169 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.58 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.2 p -132.1 9.11 4.44 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.854 -1.154 . . . . 0.0 111.439 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 55.85 0.85 0.05 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.626 -1.296 . . . . 0.0 112.509 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.58 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.1 t -63.32 128.32 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 119.985 -1.697 . . . . 0.0 108.719 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -100.46 -8.88 22.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.655 -0.653 . . . . 0.0 109.245 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -99.85 119.6 38.45 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 t -162.22 145.42 8.98 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -84.2 -15.82 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.4 2.067 . . . . 0.0 111.497 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.541 HD23 ' NH2' ' A' ' 24' ' ' ARG . 21.6 tp -151.89 123.18 7.73 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.85 0.833 . . . . 0.0 109.942 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -87.21 127.06 35.16 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.571 0.7 . . . . 0.0 110.295 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.541 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.9 mmt180 -107.48 175.83 5.36 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -140.18 151.16 45.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.066 -1.021 . . . . 0.0 109.441 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLU . 26.4 t30 -92.03 140.76 24.75 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.296 -0.878 . . . . 0.0 109.093 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.64 1.56 . . . . 0.0 112.623 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' ASN . 92.9 mt-10 -98.55 3.85 48.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.107 -0.996 . . . . 0.0 109.068 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.69 12.9 71.11 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -92.14 138.21 24.59 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.77 -1.429 . . . . 0.0 108.339 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.76 137.29 19.89 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.982 1.788 . . . . 0.0 112.327 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 ' ND2' ' A' ' 14' ' ' ASN . 88.6 mt -128.37 159.98 33.65 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -83.01 -159.74 0.36 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 37.5 p-10 -79.39 -43.26 23.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.797 -1.189 . . . . 0.0 110.976 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' C ' HH12 ' A' ' 47' ' ' ARG . . . -67.29 -50.11 61.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.04 -1.038 . . . . 0.0 112.028 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' HA ' HH11 ' A' ' 47' ' ' ARG . 98.6 m -59.74 -53.96 51.91 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.678 -1.263 . . . . 0.0 110.293 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.43 -46.9 92.44 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.784 -1.327 . . . . 0.0 109.784 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.84 -41.01 79.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.974 -1.309 . . . . 0.0 110.703 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.6 t80 -80.31 -48.33 13.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.231 -0.918 . . . . 0.0 111.578 -178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.17 -48.18 82.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.305 -0.872 . . . . 0.0 109.853 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -59.96 -45.93 91.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.816 -1.178 . . . . 0.0 110.305 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.97 -31.02 68.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.422 -0.799 . . . . 0.0 110.64 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.5 m80 -92.54 -34.83 13.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.86 -1.15 . . . . 0.0 111.149 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.71 15.43 54.23 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 120.669 -1.269 . . . . 0.0 111.024 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.69 170.41 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.061 -1.258 . . . . 0.0 109.47 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.6 m -49.39 143.3 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.182 -0.949 . . . . 0.0 110.431 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.538 HH12 ' C ' ' A' ' 35' ' ' ALA . 40.8 ttt180 -112.13 132.96 21.81 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -66.14 88.21 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 120.794 0.996 . . . . 0.0 110.438 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 51' ' ' LEU . 47.8 mt -57.36 -10.42 1.36 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.329 -0.857 . . . . 0.0 109.112 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 52' ' ' LYS . 77.4 p -59.53 -10.02 3.04 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 49' ' ' LEU . 94.4 mt -78.99 16.5 0.9 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -60.66 121.16 11.52 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.497 0.665 . . . . 0.0 110.484 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 t -145.27 142.66 29.68 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.855 0.836 . . . . 0.0 110.08 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -93.03 0.01 57.25 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -114.43 129.97 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.56 -0.713 . . . . 0.0 109.916 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.41 133.23 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -68.78 124.82 24.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.194 -0.941 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -88.3 133.92 33.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -101.42 169.32 8.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.321 -0.862 . . . . 0.0 108.941 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 p30 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.474 -0.766 . . . . 0.0 110.898 -178.538 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -141.03 147.77 39.17 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.498 -0.751 . . . . 0.0 109.141 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.1 t -73.63 112.82 10.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.047 -1.033 . . . . 0.0 109.709 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -67.83 -11.77 59.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.829 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.584 ' ND2' HD22 ' A' ' 32' ' ' LEU . 53.0 m-20 -97.07 -40.04 9.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 110.282 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.6 p -131.64 5.55 4.32 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.826 -1.171 . . . . 0.0 111.667 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 58.04 1.28 0.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.819 -1.176 . . . . 0.0 112.589 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.564 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -63.5 131.51 48.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.185 -1.572 . . . . 0.0 109.606 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -102.3 -7.95 21.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.582 -0.699 . . . . 0.0 109.413 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.3 m -104.1 120.78 41.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.401 -0.812 . . . . 0.0 109.072 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.02 150.34 8.41 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.218 -0.926 . . . . 0.0 109.544 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.93 -17.56 10.73 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.886 1.724 . . . . 0.0 111.854 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.517 HD23 ' NH2' ' A' ' 24' ' ' ARG . 41.0 tp -156.22 126.97 6.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.227 -0.92 . . . . 0.0 110.238 -178.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -85.23 129.18 34.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.758 -0.589 . . . . 0.0 109.697 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.517 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.7 mmt180 -108.23 176.38 5.15 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.537 ' CD ' ' N ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -140.1 151.23 45.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.389 -0.82 . . . . 0.0 109.05 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.562 ' O ' ' N ' ' A' ' 28' ' ' GLU . 30.5 t30 -88.96 141.01 29.25 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.271 -0.893 . . . . 0.0 109.158 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -44.38 -10.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.735 1.623 . . . . 0.0 112.032 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.7 mm-40 -97.49 5.81 49.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.197 -0.94 . . . . 0.0 109.073 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ASN . . . 82.9 15.59 72.31 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -91.97 138.95 24.45 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 120.734 -1.45 . . . . 0.0 108.489 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.0 131.03 15.04 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.922 1.748 . . . . 0.0 112.878 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.1 mt -126.62 158.73 35.55 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -82.11 -144.58 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.426 -1.421 . . . . 0.0 108.818 178.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.683 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 3.6 p-10 -80.98 -66.2 0.92 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.835 -1.166 . . . . 0.0 111.857 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.683 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.58 -36.94 85.85 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.23 -55.55 33.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.033 -1.667 . . . . 0.0 110.311 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.28 96.1 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.6 mt -68.07 -40.02 82.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.03 -1.276 . . . . 0.0 109.806 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 71.9 t80 -74.2 -52.17 13.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.477 -0.765 . . . . 0.0 111.407 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 tp -60.88 -50.36 73.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.951 -1.093 . . . . 0.0 110.268 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.3 -48.29 82.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.857 -1.152 . . . . 0.0 110.945 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.15 -32.37 70.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.026 -1.047 . . . . 0.0 110.768 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 77.9 m80 -90.96 -39.01 12.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.551 -1.343 . . . . 0.0 110.427 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.98 10.08 31.19 Favored Glycine 0 N--CA 1.491 2.35 0 O-C-N 120.857 -1.152 . . . . 0.0 111.644 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.63 141.57 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.908 -1.348 . . . . 0.0 110.201 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.24 140.64 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 109.822 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -151.75 131.24 6.76 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ARG . 30.0 Cg_exo -33.52 112.97 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.228 0 C-N-CA 122.034 1.823 . . . . 0.0 112.788 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.77 -7.93 2.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.2 p -60.03 -12.37 7.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.388 -0.82 . . . . 0.0 109.858 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.023 -1.048 . . . . 0.0 108.561 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -57.45 162.73 2.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 108.693 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.93 151.34 38.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.109 -0.994 . . . . 0.0 109.608 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -88.5 -3.44 58.81 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.5 t -111.99 130.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -122.09 134.93 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.603 -0.686 . . . . 0.0 110.355 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -80.3 134.02 36.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.87 . . . . 0.0 108.705 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.89 127.52 32.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.15 -0.969 . . . . 0.0 109.038 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -99.45 166.54 11.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.433 -0.792 . . . . 0.0 108.966 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 . . . . . 0 C--N 1.299 -1.594 0 CA-C-O 122.144 0.973 . . . . 0.0 110.69 -178.443 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.56 0.695 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -144.44 141.6 29.73 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.5 t -66.71 107.53 2.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.95 -1.094 . . . . 0.0 109.464 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -67.96 -10.48 53.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.529 -0.732 . . . . 0.0 109.508 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.444 ' ND2' HD22 ' A' ' 32' ' ' LEU . 50.5 m-20 -96.18 -37.98 10.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.93 . . . . 0.0 110.503 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.37 10.05 3.76 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.799 -1.188 . . . . 0.0 110.942 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 58.39 6.06 0.51 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.37 -0.831 . . . . 0.0 113.125 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -60.9 124.83 21.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.053 -1.654 . . . . 0.0 109.595 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -99.02 -0.65 41.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.539 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -117.86 126.51 52.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.466 -0.771 . . . . 0.0 109.731 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.531 ' CB ' HD21 ' A' ' 34' ' ' ASN . 3.4 t -165.8 147.84 6.27 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.729 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.98 -18.04 10.4 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.845 1.697 . . . . 0.0 110.973 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD23 ' NH2' ' A' ' 24' ' ' ARG . 50.2 tp -151.6 126.01 9.42 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.43 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.405 ' CE2' ' CG2' ' A' ' 20' ' ' THR . 78.3 m95 -86.82 125.86 34.25 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.871 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.5 mmt180 -105.45 170.11 8.07 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -133.75 150.21 51.48 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.425 -0.797 . . . . 0.0 109.828 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.3 t30 -93.06 141.72 24.44 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 109.573 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -45.27 -11.09 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.766 1.644 . . . . 0.0 112.149 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.7 mt-10 -97.2 5.08 50.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 109.301 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.33 12.53 80.44 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -91.91 143.18 27.36 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.815 -1.403 . . . . 0.0 108.721 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.08 139.64 21.79 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.638 1.558 . . . . 0.0 112.756 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.444 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.8 mt -129.17 157.78 40.84 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.2 p -82.1 -144.39 0.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.246 -1.534 . . . . 0.0 107.967 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.531 HD21 ' CB ' ' A' ' 20' ' ' THR . 1.1 p30 -81.52 -65.39 1.02 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.872 -1.143 . . . . 0.0 111.026 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.17 89.62 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.4 m -58.47 -56.01 27.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 119.997 -1.689 . . . . 0.0 109.946 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.36 -46.78 93.7 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.448 HD21 ' CZ ' ' A' ' 24' ' ' ARG . 70.2 mt -66.65 -41.2 88.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -1.127 . . . . 0.0 111.241 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 63.7 t80 -77.79 -50.11 12.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 111.314 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.24 -50.09 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.102 -0.999 . . . . 0.0 110.089 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.91 -45.47 92.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.203 -0.935 . . . . 0.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.95 -30.38 67.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.087 -1.008 . . . . 0.0 111.09 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 58.2 m80 -92.86 -38.72 11.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.591 -1.318 . . . . 0.0 110.921 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.15 15.99 61.6 Favored Glycine 0 N--CA 1.492 2.419 0 O-C-N 120.678 -1.264 . . . . 0.0 111.441 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -138.41 151.3 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.853 -1.381 . . . . 0.0 110.175 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.33 150.93 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 109.191 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 2.5 tpm_? -160.53 127.81 2.66 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 109.274 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -38.4 110.85 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.216 1.944 . . . . 0.0 113.782 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 51' ' ' LEU . 96.1 mt -62.0 -10.0 8.66 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.6 m -54.8 -9.14 0.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.461 -0.774 . . . . 0.0 109.118 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.6 mt -78.42 -24.58 46.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.824 . . . . 0.0 109.474 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 11.5 tmtt? -52.63 150.84 4.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 109.082 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.54 149.57 36.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 109.868 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 91.1 m-20 -89.27 -7.31 55.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.529 -0.732 . . . . 0.0 109.172 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.2 t -110.01 128.41 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.2 mt -120.38 137.17 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-O 121.314 0.578 . . . . 0.0 109.509 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 57' ' ' LYS . 7.3 ttpm? -82.28 131.67 35.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.383 -0.823 . . . . 0.0 109.288 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -86.25 131.24 34.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.405 -0.81 . . . . 0.0 109.827 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 59' ' ' ARG . 52.4 mtt-85 -100.64 170.5 8.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.158 -0.964 . . . . 0.0 108.93 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.7 m120 . . . . . 0 C--N 1.3 -1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 110.296 -178.859 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.4 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.344 0.592 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.3 m -142.8 140.32 31.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.465 -0.772 . . . . 0.0 109.176 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -67.49 110.99 3.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.217 -0.927 . . . . 0.0 109.452 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -67.14 -10.87 54.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.612 -0.68 . . . . 0.0 110.264 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -98.42 -38.57 9.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.153 -0.967 . . . . 0.0 110.877 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.3 p -134.54 0.97 3.07 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.866 -1.146 . . . . 0.0 111.59 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 52.82 48.89 21.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.81 -1.181 . . . . 0.0 110.519 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.43 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 1.2 m -84.05 109.94 18.07 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.588 -0.695 . . . . 0.0 109.311 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -88.29 0.73 55.81 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.288 -1.507 . . . . 0.0 109.831 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.6 m -126.08 117.84 24.03 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.611 ' CB ' HD21 ' A' ' 34' ' ' ASN . 3.5 t -160.96 144.73 10.0 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.176 -0.953 . . . . 0.0 109.731 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.43 -17.12 10.33 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.727 1.618 . . . . 0.0 112.01 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 ' NH2' ' A' ' 24' ' ' ARG . 28.8 tp -155.23 122.86 5.66 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.138 -0.976 . . . . 0.0 110.467 -179.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -82.62 127.88 33.8 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.337 0.589 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.9 mmt180 -109.18 178.47 4.44 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.75 157.87 44.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.851 -1.155 . . . . 0.0 110.045 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.4 t-20 -88.41 140.63 30.21 Favored Pre-proline 0 N--CA 1.493 1.682 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -49.16 -7.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 CA-C-N 119.954 1.019 . . . . 0.0 111.045 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -97.56 9.1 43.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.417 -0.802 . . . . 0.0 109.272 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 6.19 86.69 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 121.218 -0.926 . . . . 0.0 112.007 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.414 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 3.0 mp0 -89.44 147.69 38.66 Favored Pre-proline 0 N--CA 1.498 1.97 0 O-C-N 120.512 -1.581 . . . . 0.0 108.504 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.67 143.18 18.64 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.374 2.049 . . . . 0.0 113.733 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -134.22 160.5 37.68 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.4 p -84.5 -141.46 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.306 -1.496 . . . . 0.0 108.549 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.611 HD21 ' CB ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -80.96 -70.17 0.55 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.038 -1.039 . . . . 0.0 111.666 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.95 71.71 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.5 m -57.29 -56.42 22.07 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 119.905 -1.747 . . . . 0.0 110.309 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.82 -46.05 94.95 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.45 -43.32 85.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.008 -1.29 . . . . 0.0 110.292 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 82.6 t80 -70.45 -52.44 22.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 0.0 111.97 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.21 -49.97 75.53 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.398 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -60.92 -45.61 93.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.142 -0.974 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.09 -35.69 74.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 111.387 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 80.3 m80 -91.75 -36.79 13.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.687 -1.258 . . . . 0.0 110.879 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.73 15.12 57.26 Favored Glycine 0 N--CA 1.493 2.492 0 O-C-N 120.908 -1.12 . . . . 0.0 112.002 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 m -141.31 142.63 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 CA-C-N 119.186 1.493 . . . . 0.0 110.434 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.08 140.64 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.259 0.552 . . . . 0.0 110.544 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.553 ' HG2' HH11 ' A' ' 47' ' ' ARG . 4.0 ttt-85 -156.07 136.99 9.17 Favored Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -34.42 110.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.299 2.0 . . . . 0.0 114.034 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 51' ' ' LEU . 88.9 mt -61.24 -12.42 13.08 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -55.7 -7.53 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.795 . . . . 0.0 109.313 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 49' ' ' LEU . 86.3 mt -69.93 -27.52 64.83 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 53' ' ' THR . 59.9 tttt -55.02 159.01 2.57 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.872 0.844 . . . . 0.0 109.651 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.53 155.63 40.65 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.387 0.613 . . . . 0.0 109.514 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -85.76 -8.06 58.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 0.0 108.696 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.3 t -109.21 122.91 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.21 132.09 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.659 -0.651 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -67.91 119.02 11.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.14 -0.975 . . . . 0.0 109.184 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.67 129.59 34.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.856 . . . . 0.0 108.916 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -100.99 165.65 11.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.246 -0.909 . . . . 0.0 109.384 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m120 . . . . . 0 C--N 1.3 -1.584 0 CA-C-O 121.67 0.747 . . . . 0.0 110.422 -178.36 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.8 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.632 0.73 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 m -140.73 152.94 45.68 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' PHE . 5.8 t -79.7 112.19 16.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.998 -1.064 . . . . 0.0 110.385 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.0 p -68.61 -10.06 53.64 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 109.914 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.422 ' ND2' HD22 ' A' ' 32' ' ' LEU . 57.9 m-20 -96.66 -40.3 9.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.1 p -133.97 6.29 3.65 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.918 -1.114 . . . . 0.0 110.784 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' CYS . 95.5 m-85 54.46 5.89 0.1 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 113.119 177.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.5 t -64.17 129.27 39.3 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 119.964 -1.71 . . . . 0.0 110.467 -179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -99.6 -0.1 41.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -107.97 114.32 28.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 109.206 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -162.53 147.5 9.7 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -79.5 -16.71 11.75 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.944 1.762 . . . . 0.0 112.372 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 ' NH2' ' A' ' 24' ' ' ARG . 55.1 tp -154.38 123.93 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.802 -1.186 . . . . 0.0 109.968 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -82.7 126.19 32.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.505 -0.747 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.4 mmt180 -107.55 177.29 4.88 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.64 151.77 46.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.184 -0.948 . . . . 0.0 109.423 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.9 t30 -88.21 141.66 31.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 108.771 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.04 -9.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.682 1.588 . . . . 0.0 112.494 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.8 mt-10 -98.6 9.44 43.24 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.083 -1.011 . . . . 0.0 109.476 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.01 9.27 85.52 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.168 -0.958 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.04 146.18 35.93 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.596 -1.532 . . . . 0.0 108.629 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.67 137.55 18.24 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.104 1.869 . . . . 0.0 113.78 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD22 ' ND2' ' A' ' 14' ' ' ASN . 89.3 mt -130.13 158.65 39.09 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.2 -141.41 0.08 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.688 -1.257 . . . . 0.0 108.555 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 1.3 p-10 -82.35 -71.5 0.48 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.102 -0.999 . . . . 0.0 111.916 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.66 73.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.86 -1.15 . . . . 0.0 113.46 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.2 m -59.15 -58.34 9.05 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.811 -1.806 . . . . 0.0 110.379 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.24 95.8 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.71 -40.72 84.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.231 -1.158 . . . . 0.0 110.282 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 44.7 t80 -73.62 -45.81 50.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 111.587 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.75 -51.76 67.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.745 -1.222 . . . . 0.0 110.408 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.03 -48.99 79.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 111.647 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.69 -39.25 77.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.039 -1.038 . . . . 0.0 111.236 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 78.3 m80 -87.01 -30.19 21.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.392 -1.442 . . . . 0.0 109.981 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.76 12.43 3.57 Favored Glycine 0 N--CA 1.49 2.28 0 O-C-N 121.225 -0.922 . . . . 0.0 111.625 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.14 139.44 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.715 -1.462 . . . . 0.0 109.968 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.07 143.07 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 110.728 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 25.9 ttm180 -156.7 137.97 9.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.9 Cg_exo -30.49 115.22 0.05 OUTLIER 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.66 2.24 . . . . 0.0 113.53 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.07 -9.66 3.43 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -59.75 -13.05 8.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.055 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.21 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.63 160.81 5.18 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.52 147.58 34.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.004 -1.06 . . . . 0.0 110.028 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -86.3 -8.07 58.0 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.5 t -105.88 122.59 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.2 mt -117.86 129.98 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.294 0.568 . . . . 0.0 109.865 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.9 131.24 41.27 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.08 127.99 34.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.947 -1.096 . . . . 0.0 110.604 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -98.09 167.39 10.92 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.796 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 . . . . . 0 C--N 1.3 -1.549 0 CA-C-O 121.933 0.873 . . . . 0.0 111.35 -177.026 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.576 0.703 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 m -139.72 143.45 37.04 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.65 109.11 4.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.646 -1.284 . . . . 0.0 108.83 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -67.55 -10.01 47.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.841 -0.537 . . . . 0.0 109.759 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -97.01 -42.84 7.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.367 -0.833 . . . . 0.0 110.754 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.6 p -129.13 5.14 5.3 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.857 -1.152 . . . . 0.0 110.737 -178.338 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 59.32 4.12 0.45 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.291 -0.881 . . . . 0.0 112.765 177.492 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -65.7 131.14 45.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.06 -1.65 . . . . 0.0 109.473 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -100.06 -9.29 22.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.516 -0.74 . . . . 0.0 109.67 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -100.02 120.08 39.27 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.278 -0.888 . . . . 0.0 109.181 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.42 ' CB ' HD22 ' A' ' 34' ' ' ASN . 10.0 t -163.14 142.93 6.91 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.12 -16.0 12.62 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.858 1.706 . . . . 0.0 112.358 179.293 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 ' NH2' ' A' ' 24' ' ' ARG . 39.6 tp -152.76 120.93 6.23 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 -179.366 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -79.99 127.09 31.87 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.696 0.76 . . . . 0.0 109.752 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.516 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.0 mmt180 -110.79 176.97 4.82 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.274 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.491 ' CD ' ' N ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -142.18 155.48 45.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.192 -0.943 . . . . 0.0 109.146 179.04 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.547 ' O ' ' N ' ' A' ' 28' ' ' GLU . 12.8 t-20 -87.98 141.84 31.68 Favored Pre-proline 0 N--CA 1.489 1.509 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -47.12 -9.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 120.844 1.029 . . . . 0.0 111.398 178.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.7 mt-10 -98.41 0.67 45.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.355 -0.84 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.18 61.02 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 121.365 -0.834 . . . . 0.0 111.244 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -95.31 111.9 56.77 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.83 -1.394 . . . . 0.0 108.997 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.34 136.23 25.46 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.612 1.541 . . . . 0.0 113.091 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD11 HD21 ' A' ' 26' ' ' ASN . 78.5 mt -129.43 159.71 35.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.709 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.59 -145.44 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.516 -1.365 . . . . 0.0 108.095 178.216 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 3.5 p30 -80.8 -65.65 0.98 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.892 -1.13 . . . . 0.0 111.343 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.62 -40.02 95.64 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -176.807 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.3 m -56.65 -56.08 25.86 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.219 -1.551 . . . . 0.0 110.692 -178.495 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.09 -48.43 86.15 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.92 -40.92 95.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.085 -1.244 . . . . 0.0 110.212 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 61.0 t80 -71.3 -51.43 24.41 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.555 -0.715 . . . . 0.0 111.064 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.63 -50.03 75.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.813 . . . . 0.0 111.087 -177.186 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.91 -46.02 90.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.864 -1.148 . . . . 0.0 110.661 -179.143 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.95 -34.29 73.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.301 -0.874 . . . . 0.0 110.443 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 59.4 m80 -85.78 -40.81 15.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.668 -1.27 . . . . 0.0 110.279 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.34 9.53 30.73 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.65 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.21 140.05 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.005 -1.291 . . . . 0.0 109.966 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.46 141.04 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.568 -0.707 . . . . 0.0 110.086 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' PRO . 27.8 ttm180 -159.99 136.6 6.53 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' ARG . 8.6 Cg_exo -29.39 113.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 122.65 2.234 . . . . 0.0 113.691 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.56 -8.19 4.08 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.405 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 48' ' ' PRO . 58.5 p -55.52 -13.04 1.33 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.82 -32.13 69.09 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -59.84 159.39 9.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.509 -0.745 . . . . 0.0 109.184 178.646 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 t -144.81 151.69 39.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.034 -1.041 . . . . 0.0 110.327 178.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -89.3 -4.26 58.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.3 t -109.63 127.2 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -123.31 139.15 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 121.653 0.739 . . . . 0.0 110.085 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -85.46 133.1 34.11 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -84.18 132.32 34.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.189 -0.944 . . . . 0.0 109.296 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 2.3 mmp_? -103.71 169.52 8.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.306 -0.871 . . . . 0.0 109.699 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m120 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.91 0.862 . . . . 0.0 110.738 -178.465 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 m . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -138.03 144.06 40.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.556 -0.715 . . . . 0.0 109.23 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.2 t -72.45 111.55 7.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.828 . . . . 0.0 109.469 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 p -66.52 -9.69 37.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.76 . . . . 0.0 109.599 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -99.8 -39.79 8.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.412 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.639 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.0 p -133.56 11.53 4.08 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.719 -1.238 . . . . 0.0 110.794 -178.734 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 48.4 p90 44.1 7.06 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 178.305 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.639 HG22 ' SG ' ' A' ' 15' ' ' CYS . 14.2 t -60.81 132.63 54.49 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.451 -1.406 . . . . 0.0 109.165 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.5 -0.06 41.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -179.292 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -113.37 116.74 30.14 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.581 -0.7 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -166.68 146.87 5.03 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.141 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.67 -17.9 12.27 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.101 1.867 . . . . 0.0 112.802 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD23 ' NH2' ' A' ' 24' ' ' ARG . 29.8 tp -153.29 126.77 8.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.875 -1.14 . . . . 0.0 110.725 -178.468 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -86.6 128.6 35.0 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.209 0.528 . . . . 0.0 109.587 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.436 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.7 mmt180 -110.65 175.1 5.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.556 -0.715 . . . . 0.0 109.442 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 25' ' ' ARG . 18.5 ptt-85 -136.78 151.73 49.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.296 -0.877 . . . . 0.0 110.037 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.5 t-20 -92.07 141.21 24.98 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.05 -11.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.431 1.421 . . . . 0.0 112.456 178.895 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.6 mm-40 -102.17 4.06 39.07 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.203 -0.936 . . . . 0.0 110.103 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.93 17.87 60.63 Favored Glycine 0 N--CA 1.495 2.593 0 O-C-N 121.172 -0.955 . . . . 0.0 111.699 179.064 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -93.35 113.07 59.08 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 120.631 -1.511 . . . . 0.0 109.01 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.65 131.15 32.43 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.926 1.75 . . . . 0.0 113.83 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -126.07 159.01 33.97 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.8 p -85.18 -142.73 0.09 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.374 -1.454 . . . . 0.0 108.575 178.418 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 10.9 p-10 -80.86 -69.82 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.919 -1.113 . . . . 0.0 111.479 -179.401 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -60.0 -38.09 81.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.32 -0.863 . . . . 0.0 113.037 -177.126 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.2 m -58.4 -54.91 41.71 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.161 -1.587 . . . . 0.0 110.065 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.4 94.58 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD21 ' CZ ' ' A' ' 24' ' ' ARG . 59.7 mt -66.86 -39.99 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.053 -1.263 . . . . 0.0 110.438 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 66.0 t80 -75.62 -50.04 16.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.384 -0.822 . . . . 0.0 111.527 -178.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.08 -50.05 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.061 -1.024 . . . . 0.0 109.939 -178.019 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -59.96 -46.87 88.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.889 -1.132 . . . . 0.0 110.17 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -37.45 75.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.203 -0.936 . . . . 0.0 111.293 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 71.1 m80 -88.57 -34.99 17.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.7 -1.25 . . . . 0.0 110.563 -178.601 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.28 10.32 47.25 Favored Glycine 0 N--CA 1.49 2.292 0 O-C-N 120.74 -1.225 . . . . 0.0 110.67 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.99 142.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.041 -1.27 . . . . 0.0 109.891 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.6 m -60.0 148.25 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.316 -0.865 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' PRO . 15.7 tpp180 -150.37 136.29 10.55 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.8 Cg_exo -28.88 105.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 122.497 2.131 . . . . 0.0 113.373 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.3 mt -60.29 -14.1 16.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.404 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.8 m -55.92 -7.67 0.35 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.566 -0.709 . . . . 0.0 110.0 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.402 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.5 mt -71.69 -28.97 64.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.096 -1.002 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -50.46 151.8 2.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.467 -0.771 . . . . 0.0 109.562 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.61 152.49 40.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.334 -0.854 . . . . 0.0 109.676 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -86.88 -10.09 54.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.332 -0.855 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.4 132.08 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.162 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -119.65 140.15 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.486 -0.759 . . . . 0.0 109.954 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -72.71 122.41 21.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.47 -0.769 . . . . 0.0 109.185 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.74 126.93 31.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.123 -0.985 . . . . 0.0 109.918 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.34 169.11 8.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.468 -0.77 . . . . 0.0 109.328 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 . . . . . 0 C--N 1.301 -1.526 0 CA-C-O 121.992 0.901 . . . . 0.0 110.772 -178.283 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.647 0.737 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -140.97 146.82 37.83 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -80.09 110.92 15.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.785 -1.197 . . . . 0.0 108.755 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.1 p -67.47 -9.83 45.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.632 -0.667 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.549 ' ND2' HD22 ' A' ' 32' ' ' LEU . 51.7 m-20 -99.26 -41.03 7.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 110.845 -178.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.668 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.3 p -129.23 2.3 5.17 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.801 -1.187 . . . . 0.0 111.109 -177.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.49 4.03 0.32 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.202 -0.936 . . . . 0.0 112.988 177.745 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.668 HG22 ' SG ' ' A' ' 15' ' ' CYS . 8.6 t -67.53 133.81 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.364 -1.46 . . . . 0.0 109.729 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -100.81 -2.3 32.6 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.497 -0.752 . . . . 0.0 109.654 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 m -105.12 118.78 37.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.275 -0.891 . . . . 0.0 109.916 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -165.26 145.7 5.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.066 -1.021 . . . . 0.0 110.306 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.88 -16.21 11.52 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.089 1.859 . . . . 0.0 111.674 178.272 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD23 ' NH2' ' A' ' 24' ' ' ARG . 32.4 tp -153.53 128.67 9.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.11 -0.994 . . . . 0.0 110.386 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -88.87 125.97 35.17 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.783 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.471 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.9 mmt180 -108.34 174.31 5.93 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.39 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -138.96 150.21 45.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.136 -0.978 . . . . 0.0 110.453 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.512 HD21 ' H ' ' A' ' 28' ' ' GLU . 1.7 t30 -88.92 142.34 30.31 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.98 -6.36 0.66 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.452 1.435 . . . . 0.0 111.014 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.512 ' H ' HD21 ' A' ' 26' ' ' ASN . 98.5 mt-10 -92.05 1.26 57.31 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.882 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.43 6.92 80.21 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.51 141.67 32.44 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.729 -1.453 . . . . 0.0 108.889 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.65 141.29 19.5 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.004 1.803 . . . . 0.0 112.929 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.549 HD22 ' ND2' ' A' ' 14' ' ' ASN . 90.3 mt -130.74 159.8 36.22 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.004 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -82.28 -144.32 0.06 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.629 -1.294 . . . . 0.0 108.364 178.269 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.7 p-10 -80.28 -67.6 0.75 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.045 . . . . 0.0 111.806 -179.286 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.479 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -40.01 96.37 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -176.754 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.6 m -55.21 -54.89 37.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.133 -1.604 . . . . 0.0 109.811 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.3 -47.27 83.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.24 -39.97 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.273 . . . . 0.0 109.992 179.278 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.67 -57.05 6.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.594 -0.691 . . . . 0.0 111.815 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.01 -49.98 75.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.016 -1.052 . . . . 0.0 110.048 -176.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 2.8 ttmp? -60.94 -50.22 74.28 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.973 -1.08 . . . . 0.0 111.183 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.03 -38.83 75.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.09 -1.006 . . . . 0.0 111.313 -178.074 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -83.92 -46.44 12.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.669 -1.269 . . . . 0.0 110.832 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.12 1.74 64.32 Favored Glycine 0 N--CA 1.491 2.367 0 C-N-CA 119.549 -1.31 . . . . 0.0 110.589 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.0 m -136.22 141.54 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.199 -1.177 . . . . 0.0 109.75 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -60.41 144.23 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.705 -0.622 . . . . 0.0 110.16 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 48' ' ' PRO . 44.1 ttt180 -152.51 137.38 10.86 Favored Pre-proline 0 N--CA 1.492 1.633 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 50' ' ' SER . 27.5 Cg_exo -30.37 101.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 122.616 2.211 . . . . 0.0 113.063 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.59 -9.36 1.12 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.396 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 48' ' ' PRO . 59.7 p -59.86 -10.07 3.58 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.99 -30.05 66.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.529 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.85 157.42 2.39 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 151.53 39.59 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.902 -1.124 . . . . 0.0 109.912 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -85.67 -3.8 58.98 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -113.17 128.65 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.683 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -119.95 133.37 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 109.256 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -77.82 128.97 34.84 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.876 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -85.09 132.41 34.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.376 -0.827 . . . . 0.0 109.72 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -102.1 170.26 8.22 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.071 -1.018 . . . . 0.0 109.23 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.318 -0.864 . . . . 0.0 110.662 -178.023 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 149.92 43.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.505 -0.747 . . . . 0.0 109.299 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -77.02 110.8 11.95 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 0.0 108.921 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 p -67.49 -10.36 50.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.67 -0.644 . . . . 0.0 109.431 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -96.77 -42.54 7.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.0 110.59 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.567 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.8 p -128.36 4.79 5.71 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.077 -1.014 . . . . 0.0 110.938 -178.105 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 57.08 1.99 0.1 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.278 -0.889 . . . . 0.0 112.616 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -61.93 133.38 55.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.183 -1.573 . . . . 0.0 108.837 -179.309 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.87 -12.94 18.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 0.0 109.439 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -101.37 121.23 41.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.041 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.8 t -163.46 144.77 7.35 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.274 -0.891 . . . . 0.0 109.856 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.13 -20.41 11.42 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.356 2.038 . . . . 0.0 112.085 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD23 HH21 ' A' ' 24' ' ' ARG . 25.1 tp -151.56 125.02 8.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.212 -0.93 . . . . 0.0 109.999 -179.174 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -86.14 127.03 34.64 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.545 HH21 HD23 ' A' ' 22' ' ' LEU . 27.0 mmt180 -107.76 173.61 6.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.407 -0.808 . . . . 0.0 109.196 -179.29 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' HH11 ' A' ' 25' ' ' ARG . 49.7 mtt-85 -139.91 148.67 42.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.827 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.7 t30 -91.5 140.62 25.41 Favored Pre-proline 0 N--CA 1.49 1.542 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.0 -4.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.34 1.36 . . . . 0.0 112.118 178.301 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -99.1 -1.82 38.59 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.069 -1.019 . . . . 0.0 109.344 179.184 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 20.36 55.67 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -96.6 111.01 55.85 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 120.933 -1.334 . . . . 0.0 109.002 179.025 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -50.24 136.34 38.68 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.632 1.554 . . . . 0.0 112.835 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.1 mt -132.6 160.51 36.42 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.0 p -83.5 -145.72 0.08 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.667 -1.271 . . . . 0.0 108.326 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 19.4 p-10 -80.73 -68.93 0.64 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.107 -0.996 . . . . 0.0 112.204 -179.464 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -60.44 -36.7 78.83 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.762 -1.211 . . . . 0.0 113.585 -176.666 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.3 m -59.18 -56.92 15.95 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.19 -1.569 . . . . 0.0 110.672 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -45.26 96.22 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.444 -1.033 . . . . 0.0 110.258 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 85.5 t80 -73.01 -50.99 19.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 112.083 -178.557 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.31 -50.49 73.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.028 -1.045 . . . . 0.0 111.301 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.05 -47.14 87.11 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.034 -1.041 . . . . 0.0 110.036 -179.34 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.11 -34.65 73.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.406 -0.809 . . . . 0.0 111.054 -178.03 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.573 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 67.4 m80 -91.23 -41.07 11.18 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.297 -1.502 . . . . 0.0 110.942 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.27 9.33 57.41 Favored Glycine 0 N--CA 1.491 2.339 0 O-C-N 120.496 -1.378 . . . . 0.0 110.959 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.41 141.71 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.846 -1.385 . . . . 0.0 109.676 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.57 143.44 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.462 -0.774 . . . . 0.0 111.201 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' HG3' HH11 ' A' ' 47' ' ' ARG . 21.5 ttm-85 -153.09 136.36 9.89 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -33.92 113.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.182 1.921 . . . . 0.0 113.188 -179.318 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 51' ' ' LEU . 85.1 mt -62.0 -10.13 9.0 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -54.98 -11.2 0.6 Allowed 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 49' ' ' LEU . 94.6 mt -70.55 -30.86 67.7 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -60.43 160.08 9.31 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.17 157.53 43.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.762 -1.211 . . . . 0.0 110.041 179.021 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -89.34 -6.22 56.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.406 -0.809 . . . . 0.0 109.162 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.62 127.61 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.3 mt -122.82 135.22 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.411 -0.805 . . . . 0.0 110.393 -178.66 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -78.69 129.68 34.98 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.18 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.58 133.98 34.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.927 179.668 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -100.98 170.33 8.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 108.907 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--N 1.3 -1.555 0 CA-C-O 121.675 0.75 . . . . 0.0 110.051 -178.963 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.498 0.666 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.49 145.39 35.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.442 -0.787 . . . . 0.0 109.18 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.88 109.79 4.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.997 -1.064 . . . . 0.0 109.559 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.4 p -68.14 -9.02 43.45 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.668 -0.645 . . . . 0.0 109.31 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.525 ' ND2' HD22 ' A' ' 32' ' ' LEU . 23.9 m-20 -96.13 -41.79 8.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.325 -0.859 . . . . 0.0 110.693 -179.293 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' HG22 ' A' ' 17' ' ' THR . 15.0 p -129.35 10.92 5.81 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.803 -1.186 . . . . 0.0 111.419 -178.594 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 54.54 2.53 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.909 -1.119 . . . . 0.0 112.854 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.549 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -64.5 134.08 53.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.237 -1.539 . . . . 0.0 109.29 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -100.17 -15.06 18.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.347 -0.846 . . . . 0.0 109.551 -179.463 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 m -96.75 122.25 39.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.014 -1.054 . . . . 0.0 109.224 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 t -161.07 142.36 8.76 Favored Pre-proline 0 N--CA 1.487 1.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.96 -20.1 11.9 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.8 1.666 . . . . 0.0 112.268 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.585 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.3 tp -155.73 123.3 5.57 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.069 -1.019 . . . . 0.0 109.561 -179.2 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -81.19 128.68 34.04 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.794 -0.566 . . . . 0.0 111.186 -177.818 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.64 ' HE ' HD22 ' A' ' 34' ' ' ASN . 29.0 mmt180 -109.55 177.74 4.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.351 -0.843 . . . . 0.0 109.827 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 25' ' ' ARG . 5.8 ptt-85 -141.57 158.41 43.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.365 -0.834 . . . . 0.0 109.778 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.1 t30 -94.98 145.11 28.96 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.287 -0.883 . . . . 0.0 109.333 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.42 -11.26 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.433 1.422 . . . . 0.0 112.104 178.241 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -100.03 4.16 44.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.324 -0.86 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.67 16.83 65.06 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 121.511 -0.743 . . . . 0.0 111.54 179.571 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.47 140.56 24.12 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 120.532 -1.569 . . . . 0.0 108.463 178.743 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.49 137.51 20.75 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.25 1.967 . . . . 0.0 113.698 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.525 HD22 ' ND2' ' A' ' 14' ' ' ASN . 85.6 mt -134.19 159.96 39.3 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.883 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -88.99 -175.9 4.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.64 HD22 ' HE ' ' A' ' 24' ' ' ARG . 17.2 m120 -65.03 -40.09 94.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.58 -1.325 . . . . 0.0 111.355 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.85 -53.27 28.15 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 111.452 -179.015 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.44 -51.22 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.546 -1.346 . . . . 0.0 111.588 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.27 -49.95 72.99 Favored Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.344 -178.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 24' ' ' ARG . 81.6 mt -67.05 -40.07 87.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.102 -1.234 . . . . 0.0 110.007 179.803 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.632 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.4 t80 -71.54 -47.69 53.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.556 -0.715 . . . . 0.0 111.094 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.76 -52.71 63.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.364 -0.835 . . . . 0.0 111.551 -176.694 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.1 -43.69 95.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.767 -1.208 . . . . 0.0 110.375 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.9 -39.3 76.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 111.375 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.632 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.7 m80 -87.14 -39.96 15.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.651 -1.281 . . . . 0.0 110.533 -178.409 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.87 9.72 63.29 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.707 178.845 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.26 145.4 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.923 -1.34 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -57.53 146.97 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.401 -0.812 . . . . 0.0 109.268 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.496 HH11 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -150.1 133.86 8.88 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.597 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ARG . 46.5 Cg_exo -31.78 98.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.151 1.901 . . . . 0.0 113.532 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.0 mt -61.14 -9.41 4.65 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.702 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PRO . 36.4 m -55.98 -5.46 0.17 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 49' ' ' LEU . 91.6 mt -77.07 -16.23 59.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 0.0 108.822 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -55.39 148.6 14.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.418 -0.802 . . . . 0.0 109.557 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.17 152.07 40.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 109.396 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.98 128.81 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.42 130.54 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.597 -0.69 . . . . 0.0 109.192 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.51 127.4 32.45 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.297 -0.877 . . . . 0.0 108.877 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.55 129.72 34.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG3' HH11 ' A' ' 59' ' ' ARG . 25.6 mmm-85 -101.08 167.76 10.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 -179.651 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.935 0.874 . . . . 0.0 110.904 -178.307 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.556 0.693 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m -140.75 144.28 35.42 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.94 110.15 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.0 108.461 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 p -67.14 -9.7 42.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.745 -0.597 . . . . 0.0 109.717 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.564 ' ND2' HD22 ' A' ' 32' ' ' LEU . 56.9 m-20 -97.88 -38.99 9.21 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.199 -0.938 . . . . 0.0 110.525 -178.807 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.0 p -133.46 1.6 3.44 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.759 -1.213 . . . . 0.0 110.96 -178.446 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 62.86 2.54 1.01 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.368 -0.832 . . . . 0.0 112.813 178.084 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.577 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -66.82 134.61 52.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.281 -1.512 . . . . 0.0 110.871 -178.354 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -100.29 -11.6 20.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.543 -0.723 . . . . 0.0 109.921 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 m -98.68 118.13 34.7 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.83 -1.169 . . . . 0.0 109.731 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.542 ' CB ' HD22 ' A' ' 34' ' ' ASN . 5.8 t -164.53 145.38 6.49 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.01 -17.37 10.73 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.957 1.771 . . . . 0.0 112.317 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.7 tp -150.86 123.56 8.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.033 . . . . 0.0 110.119 -178.176 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -83.95 123.49 30.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -105.56 171.17 7.47 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.341 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.54 157.41 43.67 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.576 0.703 . . . . 0.0 109.499 -179.569 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.8 t30 -97.06 141.07 22.5 Favored Pre-proline 0 N--CA 1.49 1.559 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.65 -9.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.556 1.504 . . . . 0.0 112.06 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -98.28 6.26 47.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.744 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.23 82.9 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -89.84 141.12 28.0 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 120.737 -1.449 . . . . 0.0 108.566 179.055 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -75.49 132.15 14.49 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.43 2.086 . . . . 0.0 112.867 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' ND2' ' A' ' 14' ' ' ASN . 80.1 mt -124.55 160.93 27.25 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 -143.51 0.1 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.356 -1.465 . . . . 0.0 108.432 177.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.56 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 4.0 p30 -80.99 -69.66 0.59 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.016 -1.052 . . . . 0.0 111.476 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.56 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.34 -38.29 83.29 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.616 -0.678 . . . . 0.0 112.798 -176.592 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.37 -56.59 20.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.352 -1.467 . . . . 0.0 110.156 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.97 93.33 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.44 -44.51 90.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.173 -1.192 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 53.2 t80 -70.51 -46.22 64.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.768 -0.582 . . . . 0.0 111.531 -178.802 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.5 -50.64 70.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.995 . . . . 0.0 110.512 -177.426 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -62.31 -46.35 89.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.859 -1.151 . . . . 0.0 110.482 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -39.86 78.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 111.082 -178.653 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 56.6 m80 -87.23 -41.24 13.86 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.408 -1.432 . . . . 0.0 110.599 -178.655 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 9.47 47.14 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.818 -1.176 . . . . 0.0 110.989 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.63 141.71 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.078 -1.248 . . . . 0.0 109.542 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 46' ' ' VAL . 17.3 m -60.65 141.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.233 0.539 . . . . 0.0 110.166 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 36.8 ttt180 -153.01 138.42 11.58 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.387 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.9 Cg_exo -29.97 105.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.873 2.382 . . . . 0.0 114.3 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.9 -13.3 14.9 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 p -57.98 -9.97 1.6 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.539 0.685 . . . . 0.0 109.32 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.4 mt -71.62 -22.7 61.67 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.034 -1.041 . . . . 0.0 108.307 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.6 ttpt -55.17 160.25 2.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.95 . . . . 0.0 110.595 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -144.09 147.79 34.25 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.53 0.681 . . . . 0.0 109.658 178.858 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -87.36 -7.61 57.56 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.385 -0.822 . . . . 0.0 109.345 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.2 p -108.5 128.08 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.067 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.7 mt -119.52 135.61 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.532 -0.73 . . . . 0.0 109.317 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -74.1 124.27 25.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.0 108.859 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -79.94 128.53 33.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.729 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -98.6 165.04 12.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.049 -1.032 . . . . 0.0 108.978 179.381 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.949 . . . . 0.0 110.656 -178.769 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -138.68 144.78 39.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.293 -0.879 . . . . 0.0 109.059 179.724 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.1 t -72.83 111.57 8.08 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.013 -1.054 . . . . 0.0 109.449 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.1 p -66.66 -9.23 33.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.853 -0.529 . . . . 0.0 109.623 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.564 ' ND2' HD22 ' A' ' 32' ' ' LEU . 65.0 m-20 -99.73 -40.09 7.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.373 -0.829 . . . . 0.0 110.726 -179.15 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.1 p -132.79 5.43 3.94 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.734 -1.229 . . . . 0.0 111.94 -177.522 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 56.59 4.34 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.893 -1.129 . . . . 0.0 112.68 177.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.592 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -65.59 132.41 48.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.134 -1.604 . . . . 0.0 110.043 -179.091 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -98.06 -5.14 34.51 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.7 m -103.95 117.35 34.1 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.225 -0.922 . . . . 0.0 109.776 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 t -164.47 146.46 6.98 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -82.51 -15.47 8.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.844 1.696 . . . . 0.0 112.167 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.528 HD23 ' NH2' ' A' ' 24' ' ' ARG . 24.6 tp -154.7 123.45 6.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.14 -0.975 . . . . 0.0 110.59 -178.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -83.25 126.72 32.96 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.55 0.69 . . . . 0.0 109.576 179.712 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.528 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.0 mmt180 -108.27 178.89 4.37 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.536 ' HG2' HH11 ' A' ' 25' ' ' ARG . 7.0 ptt-85 -142.43 150.32 40.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.272 -0.893 . . . . 0.0 109.493 179.871 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.9 t30 -87.94 142.06 31.93 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -45.57 -10.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.374 1.383 . . . . 0.0 112.593 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.0 mt-10 -99.95 4.04 44.72 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.957 -1.089 . . . . 0.0 108.934 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 19.37 60.66 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.399 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -95.45 110.13 49.13 Favored Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 120.777 -1.425 . . . . 0.0 108.353 178.725 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.65 135.51 27.49 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.721 1.614 . . . . 0.0 113.482 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' ND2' ' A' ' 14' ' ' ASN . 87.4 mt -128.99 162.23 28.08 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.527 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 27.8 p -85.85 -145.21 0.11 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.41 -1.431 . . . . 0.0 108.483 178.143 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.501 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -80.45 -66.93 0.82 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.776 -1.203 . . . . 0.0 111.829 -178.928 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.53 -39.43 93.53 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -176.564 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.59 -54.88 41.91 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.12 -1.613 . . . . 0.0 110.562 -178.457 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.04 -42.37 98.19 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.275 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.36 -42.2 79.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.28 -1.129 . . . . 0.0 111.8 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 30.9 t80 -78.89 -46.13 19.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 111.184 -179.002 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.04 -49.99 75.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.0 109.918 -177.935 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.03 -42.83 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 0.0 110.6 -179.239 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.01 -33.49 72.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.207 -0.933 . . . . 0.0 111.744 -178.45 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.6 m80 -92.07 -30.04 16.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.661 -1.275 . . . . 0.0 110.583 -178.095 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 12.38 41.73 Favored Glycine 0 N--CA 1.492 2.43 0 O-C-N 120.671 -1.268 . . . . 0.0 111.099 178.404 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.39 168.42 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.032 -1.275 . . . . 0.0 109.626 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -54.49 149.15 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.063 -179.223 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -128.87 134.85 26.77 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.84 102.91 1.27 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.967 1.111 . . . . 0.0 109.334 178.854 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -58.61 -10.91 2.53 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.46 -0.775 . . . . 0.0 109.286 -178.347 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -61.56 -15.67 40.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.638 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.44 -29.94 59.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.137 -0.977 . . . . 0.0 109.419 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -53.32 155.05 2.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.857 . . . . 0.0 109.728 -179.297 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.06 160.1 43.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.271 -0.893 . . . . 0.0 109.454 179.179 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -86.23 -5.61 59.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 108.75 179.283 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.23 127.51 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.04 135.77 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.414 -0.804 . . . . 0.0 109.624 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -74.21 121.69 21.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.199 -0.938 . . . . 0.0 108.79 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.31 134.63 34.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 108.64 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.48 HH11 ' HG2' ' A' ' 59' ' ' ARG . 5.9 mmt-85 -101.32 165.39 11.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 108.67 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.558 -0.714 . . . . 0.0 109.7 -179.014 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.1 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 m -138.16 144.84 40.93 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.7 t -72.61 109.25 6.12 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.263 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -67.84 -9.62 46.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 109.743 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.56 -40.12 8.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.349 -0.844 . . . . 0.0 111.401 -178.779 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.0 p -126.71 1.36 6.77 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.766 -1.209 . . . . 0.0 111.152 -178.157 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 61.64 2.62 0.72 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.294 -0.878 . . . . 0.0 113.106 177.314 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.563 HG22 ' SG ' ' A' ' 15' ' ' CYS . 11.6 t -64.88 133.23 51.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.139 -1.6 . . . . 0.0 109.437 -179.034 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -97.09 -13.75 21.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.854 . . . . 0.0 110.221 -178.519 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 m -104.13 126.27 51.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.282 -0.886 . . . . 0.0 108.956 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.6 t -164.51 145.38 6.51 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.172 -0.955 . . . . 0.0 109.83 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.63 -20.89 11.79 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.386 2.057 . . . . 0.0 112.418 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD23 ' NH2' ' A' ' 24' ' ' ARG . 38.6 tp -153.44 121.96 6.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.99 . . . . 0.0 110.243 -178.53 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -81.05 123.35 28.3 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.41 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' NH2' HD23 ' A' ' 22' ' ' LEU . 32.3 mmt180 -103.6 172.57 6.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 109.072 -179.238 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -132.93 147.09 52.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 -179.535 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.4 t30 -88.22 140.12 30.5 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.441 -0.787 . . . . 0.0 109.135 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -42.04 -16.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.469 1.446 . . . . 0.0 112.249 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.2 mt-10 -100.06 6.84 44.99 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.116 -0.99 . . . . 0.0 110.041 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.91 15.99 66.33 Favored Glycine 0 N--CA 1.494 2.565 0 O-C-N 121.268 -0.895 . . . . 0.0 111.872 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -92.67 114.58 62.89 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 120.526 -1.573 . . . . 0.0 109.464 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.04 135.39 24.04 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.548 2.166 . . . . 0.0 114.229 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.3 mt -133.22 158.38 43.02 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.36 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -84.14 -140.22 0.07 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.221 -1.55 . . . . 0.0 108.448 177.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 5.8 p-10 -81.44 -69.34 0.62 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.949 -1.094 . . . . 0.0 111.347 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.5 -34.72 78.39 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.88 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.0 m -57.69 -53.6 56.41 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.048 -1.657 . . . . 0.0 110.53 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -39.89 91.19 Favored Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.515 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.77 -40.18 76.22 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.046 -1.267 . . . . 0.0 111.946 -178.871 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 54.2 t80 -78.21 -44.92 24.38 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.831 -1.168 . . . . 0.0 110.928 -179.277 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.8 -52.93 61.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.702 -177.599 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.39 -45.49 93.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.849 -1.157 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.14 -33.35 74.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.339 -0.851 . . . . 0.0 111.948 -177.262 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.613 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 69.5 m80 -98.13 -20.22 17.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.648 -1.283 . . . . 0.0 110.077 -178.911 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.61 13.5 58.85 Favored Glycine 0 N--CA 1.494 2.516 0 O-C-N 120.806 -1.184 . . . . 0.0 110.934 178.159 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.17 162.23 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.325 -1.103 . . . . 0.0 109.07 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -50.53 157.89 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -107.53 133.16 20.51 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.343 -0.848 . . . . 0.0 109.23 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 50' ' ' SER . 23.0 Cg_endo -65.25 84.29 0.2 Allowed 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 120.799 1.0 . . . . 0.0 109.545 178.294 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.74 -8.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.627 -0.67 . . . . 0.0 109.49 -178.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 48' ' ' PRO . 44.5 p -60.01 -15.14 20.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 108.682 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.7 mt -84.08 13.29 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.372 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -58.45 122.35 13.11 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.666 0.746 . . . . 0.0 109.265 179.588 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -145.64 145.49 30.95 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.699 0.761 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.46 -0.76 54.49 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.474 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.7 t -113.29 130.0 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.9 mt -120.03 132.29 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -68.82 124.25 23.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.218 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -86.56 132.05 34.01 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.376 -0.828 . . . . 0.0 109.527 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.475 HH11 ' HG3' ' A' ' 59' ' ' ARG . 20.6 mmm-85 -100.47 172.31 7.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.357 -0.839 . . . . 0.0 109.037 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.358 -0.839 . . . . 0.0 111.204 -177.709 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.415 0.626 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -147.57 140.26 24.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.7 t -69.74 110.04 4.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.876 -1.14 . . . . 0.0 109.644 -179.865 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.7 p -67.19 -10.22 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.699 -0.626 . . . . 0.0 109.955 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.519 ' ND2' HD22 ' A' ' 32' ' ' LEU . 73.5 m-20 -98.88 -39.19 8.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.173 -0.954 . . . . 0.0 110.4 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.599 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.0 p -133.32 4.49 3.71 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.829 -1.17 . . . . 0.0 111.394 -178.162 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 56.88 5.36 0.22 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.914 -1.117 . . . . 0.0 113.003 177.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.599 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -66.67 133.16 49.66 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.137 -1.602 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -101.63 -3.27 28.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.361 -0.837 . . . . 0.0 109.305 178.753 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 m -102.64 110.92 23.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.444 -0.785 . . . . 0.0 109.503 -179.436 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t -165.08 147.82 6.94 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.133 -0.979 . . . . 0.0 109.878 179.778 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -83.53 -16.21 6.97 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.359 2.039 . . . . 0.0 112.679 179.295 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 ' NH2' ' A' ' 24' ' ' ARG . 24.3 tp -152.86 119.64 5.71 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.968 -1.082 . . . . 0.0 109.689 -179.226 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -82.61 130.62 35.15 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.553 -179.229 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.58 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.6 mmt180 -110.08 176.04 5.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.081 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -134.03 147.3 50.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.81 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLU . 12.3 t30 -87.75 142.96 32.95 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.647 -0.658 . . . . 0.0 109.725 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.38 -12.56 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.998 1.798 . . . . 0.0 113.074 178.385 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' ASN . 64.4 mm-40 -98.71 9.44 43.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.841 -1.162 . . . . 0.0 109.212 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.21 9.79 86.68 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 120.335 -0.936 . . . . 0.0 110.995 178.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.42 146.06 41.21 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.573 -1.546 . . . . 0.0 107.863 178.686 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.79 131.85 12.62 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 121.594 1.529 . . . . 0.0 113.425 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.519 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.4 mt -122.14 161.15 23.66 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.374 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 p -84.49 -147.82 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.083 -1.636 . . . . 0.0 108.861 178.676 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.467 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 7.4 p-10 -79.89 -64.42 1.19 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.856 -1.153 . . . . 0.0 111.532 -179.083 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.76 86.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.003 -1.061 . . . . 0.0 113.597 -177.12 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -59.2 -55.7 31.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.142 -1.598 . . . . 0.0 111.128 -178.02 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.09 96.26 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.43 -40.64 89.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -1.211 . . . . 0.0 110.25 179.704 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 56.6 t80 -77.74 -48.91 15.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.288 -0.882 . . . . 0.0 112.422 -178.483 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.877 -1.139 . . . . 0.0 110.721 -176.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -60.01 -48.4 81.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.903 -1.123 . . . . 0.0 110.193 -179.542 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.76 -35.93 79.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 0.0 111.254 -177.643 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 57.9 m80 -88.91 -34.0 17.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.563 -1.336 . . . . 0.0 110.546 -178.546 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.67 11.19 2.61 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.848 -1.158 . . . . 0.0 111.669 178.407 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.83 140.33 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 CA-C-N 119.022 1.411 . . . . 0.0 110.122 179.732 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.5 m -59.05 141.18 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.572 -0.705 . . . . 0.0 109.678 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 47' ' ' ARG . 4.6 ttt-85 -155.73 136.65 9.08 Favored Pre-proline 0 N--CA 1.49 1.529 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' SER . 50.4 Cg_exo -34.13 110.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.095 1.864 . . . . 0.0 113.84 -178.893 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 51' ' ' LEU . 85.8 mt -63.28 -9.36 11.32 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.56 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 48' ' ' PRO . 56.2 p -53.72 -8.99 0.18 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 49' ' ' LEU . 85.4 mt -69.99 -26.74 64.22 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.783 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -50.93 147.12 5.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.629 0.728 . . . . 0.0 109.705 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.45 150.13 38.58 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.606 -0.683 . . . . 0.0 109.18 178.746 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -85.41 -8.73 58.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.443 -0.785 . . . . 0.0 109.262 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -108.2 121.35 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.4 mt -112.08 130.06 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.637 -0.664 . . . . 0.0 109.279 -179.161 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.54 122.77 24.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 109.091 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.84 132.03 34.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -0.881 . . . . 0.0 108.749 179.308 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -100.02 166.95 10.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.328 -0.858 . . . . 0.0 108.961 -179.496 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 . . . . . 0 C--N 1.3 -1.557 0 O-C-N 121.515 -0.741 . . . . 0.0 109.952 -178.569 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 m -142.66 147.78 36.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.245 -0.909 . . . . 0.0 109.159 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.8 t -74.39 109.1 7.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.988 -1.07 . . . . 0.0 108.838 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 p -67.59 -9.97 47.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.643 -0.661 . . . . 0.0 109.725 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.511 ' O ' HD13 ' A' ' 49' ' ' LEU . 26.1 m-20 -96.3 -37.68 10.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.127 -0.983 . . . . 0.0 110.193 -179.794 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.7 p -134.42 8.43 3.66 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.74 -1.225 . . . . 0.0 112.15 -178.492 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 56.83 2.75 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.757 -1.214 . . . . 0.0 112.843 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.1 t -63.67 130.93 46.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.015 -1.678 . . . . 0.0 109.126 -179.248 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -100.04 -7.13 25.39 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -100.64 117.53 34.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.217 -0.927 . . . . 0.0 109.049 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -163.3 144.88 7.56 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.133 -0.979 . . . . 0.0 109.288 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.16 -18.43 7.38 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.087 1.858 . . . . 0.0 112.757 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.571 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.5 tp -154.72 124.68 6.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.919 -1.113 . . . . 0.0 109.876 -178.844 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.17 126.98 33.21 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.752 0.787 . . . . 0.0 111.346 -178.181 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HE ' ' ND2' ' A' ' 34' ' ' ASN . 28.7 mmt180 -109.86 177.63 4.66 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.507 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -141.78 154.98 45.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.095 -1.003 . . . . 0.0 109.539 179.089 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.6 t30 -91.65 144.39 29.42 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.29 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.216 1.277 . . . . 0.0 111.888 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.4 mt-10 -100.2 -0.04 39.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.35 -0.844 . . . . 0.0 109.646 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.59 17.18 60.62 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 121.395 -0.815 . . . . 0.0 111.658 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -94.62 112.39 57.67 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.629 -1.512 . . . . 0.0 109.276 179.123 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.67 133.86 27.03 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.718 1.612 . . . . 0.0 112.955 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.428 HD22 ' ND2' ' A' ' 14' ' ' ASN . 80.2 mt -127.25 158.52 36.95 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.603 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 24.6 p -87.54 -173.08 4.18 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 176.127 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 11.1 m120 -68.67 -40.78 80.0 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.654 -1.279 . . . . 0.0 112.42 -178.588 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -50.67 55.39 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.634 -1.292 . . . . 0.0 111.003 -178.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.46 -52.72 63.37 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.669 -1.27 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.47 69.27 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 34' ' ' ASN . 50.1 mt -69.9 -41.27 74.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -1.223 . . . . 0.0 110.842 -179.69 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t80 -74.32 -47.98 31.21 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 111.227 -179.509 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.97 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.002 -1.061 . . . . 0.0 110.705 -177.584 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.98 -43.21 95.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.096 -1.003 . . . . 0.0 110.373 -179.499 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.56 -38.16 77.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.481 -0.762 . . . . 0.0 112.084 -178.499 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.561 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 29.8 m80 -93.06 -31.3 14.89 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.662 -1.274 . . . . 0.0 110.582 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 22.37 71.34 Favored Glycine 0 N--CA 1.493 2.491 0 O-C-N 120.663 -1.273 . . . . 0.0 111.492 178.316 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' ARG . 33.4 m -131.57 159.93 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.036 -1.273 . . . . 0.0 110.523 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 46' ' ' VAL . 2.5 m -53.02 90.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-O 122.258 1.028 . . . . 0.0 109.642 -179.673 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' VAL . 7.5 ttt-85 -51.05 110.27 1.7 Allowed Pre-proline 0 C--N 1.292 -1.909 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.383 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.18 98.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.31 1.34 . . . . 0.0 110.503 178.023 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 14' ' ' ASN . 55.3 mt -59.78 -10.57 3.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.341 -0.849 . . . . 0.0 109.67 -179.058 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 t -60.57 -14.26 19.03 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -79.57 -9.45 59.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 0.0 109.865 -178.542 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -51.99 139.36 22.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.087 -1.008 . . . . 0.0 110.487 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.08 154.39 41.1 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.474 0.654 . . . . 0.0 109.732 178.814 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -90.17 -6.87 54.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 110.41 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.14 125.94 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.099 -1.001 . . . . 0.0 109.664 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -120.47 135.8 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.551 -0.718 . . . . 0.0 109.487 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -76.25 125.15 28.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.021 -1.05 . . . . 0.0 109.91 -179.453 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -88.74 136.38 33.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -99.58 166.81 10.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.096 -1.003 . . . . 0.0 109.377 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 . . . . . 0 C--N 1.302 -1.469 0 O-C-N 121.536 -0.728 . . . . 0.0 109.931 -179.145 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.1 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.417 0.627 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -139.31 142.81 37.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -0.788 . . . . 0.0 109.43 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.3 t -70.15 110.05 4.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.158 -0.963 . . . . 0.0 109.047 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -66.46 -9.09 30.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.608 -0.682 . . . . 0.0 109.502 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.461 ' ND2' HD22 ' A' ' 32' ' ' LEU . 40.0 m-20 -100.01 -39.79 7.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.398 -0.814 . . . . 0.0 111.157 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.4 p -132.04 4.45 4.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.84 -1.163 . . . . 0.0 111.578 -177.735 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 55.58 3.45 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.942 -1.099 . . . . 0.0 112.641 177.676 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.0 t -62.52 130.42 45.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.279 -1.513 . . . . 0.0 109.349 -179.145 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -98.36 -12.63 21.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.444 -0.785 . . . . 0.0 110.126 -178.759 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -99.56 118.46 36.17 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.824 -1.173 . . . . 0.0 109.222 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -164.05 143.18 6.16 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.099 -1.001 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.72 -17.43 18.03 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.175 1.917 . . . . 0.0 112.423 178.766 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.472 HD23 ' NH2' ' A' ' 24' ' ' ARG . 19.7 tp -155.92 121.93 5.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.983 -1.073 . . . . 0.0 110.8 -178.59 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -81.1 127.63 32.85 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.0 mmt180 -109.9 179.58 4.08 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.416 -0.803 . . . . 0.0 109.374 -179.335 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -136.67 151.67 49.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.534 -0.729 . . . . 0.0 110.014 -179.577 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 17.0 t-20 -88.63 141.28 30.07 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -44.6 -12.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.199 1.266 . . . . 0.0 112.027 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -100.01 6.42 45.07 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.266 -0.896 . . . . 0.0 109.587 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.2 71.93 Favored Glycine 0 N--CA 1.491 2.313 0 O-C-N 121.369 -0.832 . . . . 0.0 111.475 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -91.36 114.75 62.75 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.69 -1.477 . . . . 0.0 108.599 179.063 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.28 133.64 24.87 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.716 1.611 . . . . 0.0 113.18 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.9 mt -128.36 158.62 37.74 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.144 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 29.7 p -86.11 -132.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.382 -1.449 . . . . 0.0 109.107 178.582 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.514 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 2.3 p-10 -82.53 -85.09 0.11 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 112.21 -178.722 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.12 65.52 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.617 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 35.3 m -57.53 -53.01 63.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.041 -1.662 . . . . 0.0 109.895 -178.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -43.45 66.87 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.143 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.42 -40.04 92.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.867 -1.373 . . . . 0.0 111.04 -179.157 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.64 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 t80 -78.22 -45.34 23.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.064 -1.022 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.41 -52.66 62.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.046 -1.034 . . . . 0.0 110.448 -177.535 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -61.44 -41.88 97.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.87 -1.144 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.81 -29.74 67.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.136 -0.978 . . . . 0.0 110.313 -177.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.64 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 57.1 m80 -92.03 -33.12 14.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.745 -1.222 . . . . 0.0 110.978 -178.679 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.34 14.27 63.97 Favored Glycine 0 N--CA 1.495 2.568 0 O-C-N 120.576 -1.327 . . . . 0.0 111.733 178.038 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.66 169.63 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.838 -1.389 . . . . 0.0 109.075 179.532 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -48.68 147.25 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.74 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.617 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -117.74 125.61 27.93 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.684 -0.635 . . . . 0.0 109.36 -179.761 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.44 110.27 3.07 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.138 1.226 . . . . 0.0 110.114 178.152 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.08 -11.7 6.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -59.76 -25.89 65.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.784 -179.692 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.21 -30.39 62.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.07 -1.019 . . . . 0.0 110.667 -178.515 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -57.27 155.8 8.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 109.888 -179.07 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.23 158.6 43.89 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.419 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.69 -2.96 58.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 108.666 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.2 129.3 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.723 -0.611 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.7 139.83 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.723 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -83.85 132.2 34.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.079 -1.013 . . . . 0.0 109.071 179.565 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -84.4 135.49 34.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.468 -0.77 . . . . 0.0 109.635 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 59' ' ' ARG . 6.2 mmt-85 -99.49 166.38 11.19 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.169 -0.957 . . . . 0.0 108.667 179.502 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 C--N 1.3 -1.55 0 O-C-N 121.493 -0.754 . . . . 0.0 109.788 -179.347 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.265 0.555 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.2 m -146.19 149.99 35.0 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.347 -0.846 . . . . 0.0 109.935 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.06 111.26 11.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.094 -1.004 . . . . 0.0 109.257 179.492 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 p -68.63 -9.39 49.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.714 . . . . 0.0 109.986 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.448 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.0 m120 -95.93 -41.57 8.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 0.0 110.702 -179.049 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 17' ' ' THR . 16.0 p -127.33 4.49 6.31 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.968 -1.083 . . . . 0.0 111.23 -177.945 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 57.4 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.159 -0.963 . . . . 0.0 112.149 178.18 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' SG ' ' A' ' 15' ' ' CYS . 4.8 t -66.14 135.88 55.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.477 -1.39 . . . . 0.0 109.666 -179.386 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.575 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -103.46 -10.06 18.86 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.345 -0.847 . . . . 0.0 109.904 -179.758 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.8 m -100.99 121.2 41.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.221 -0.924 . . . . 0.0 108.771 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 t -163.54 145.03 7.38 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.086 -1.009 . . . . 0.0 109.843 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.98 -21.94 10.47 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.285 1.99 . . . . 0.0 112.426 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD23 HH21 ' A' ' 24' ' ' ARG . 17.7 tp -153.52 121.27 5.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.019 -1.051 . . . . 0.0 110.149 -178.666 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -82.63 128.16 34.07 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.719 -179.481 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.512 HH21 HD23 ' A' ' 22' ' ' LEU . 26.5 mmt180 -106.25 177.28 4.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.375 -0.828 . . . . 0.0 108.855 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -136.09 148.09 48.12 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.319 -0.863 . . . . 0.0 110.111 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' GLU . 15.8 t-20 -89.07 142.63 30.3 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.422 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -4.77 0.15 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 CA-C-N 119.976 1.027 . . . . 0.0 110.916 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -98.3 2.25 47.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.368 -0.832 . . . . 0.0 109.203 179.493 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.24 9.73 75.87 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 121.297 -0.877 . . . . 0.0 111.366 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -89.14 151.09 46.3 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 120.732 -1.451 . . . . 0.0 108.949 179.093 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -83.14 133.54 6.55 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.12 1.88 . . . . 0.0 112.944 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.442 HD22 ' OD1' ' A' ' 14' ' ' ASN . 88.0 mt -128.55 160.03 33.63 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.713 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.48 -168.32 2.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.646 -1.284 . . . . 0.0 107.678 177.532 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' O ' HD12 ' A' ' 38' ' ' LEU . 37.9 p-10 -72.18 -38.97 68.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.641 -1.287 . . . . 0.0 111.232 -179.63 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -52.38 25.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.556 -1.34 . . . . 0.0 111.866 -179.077 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.51 -53.24 58.96 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.581 -1.324 . . . . 0.0 110.684 -178.55 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.98 -47.43 80.09 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 34' ' ' ASN . 86.7 mt -69.57 -40.72 76.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.157 -1.202 . . . . 0.0 110.884 -179.797 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 56.0 t80 -78.77 -46.7 18.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.207 -0.933 . . . . 0.0 111.878 -178.633 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.73 -50.06 73.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.037 -1.04 . . . . 0.0 110.574 -177.526 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -60.01 -44.4 94.61 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.923 -1.111 . . . . 0.0 110.468 -179.392 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.08 -32.68 70.87 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.211 -0.931 . . . . 0.0 111.354 -177.863 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.2 m80 -91.27 -32.32 15.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.63 -1.293 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.67 14.32 67.18 Favored Glycine 0 N--CA 1.493 2.493 0 O-C-N 120.564 -1.335 . . . . 0.0 111.308 178.251 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 m -139.7 171.78 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.004 -1.291 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -47.03 148.71 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 109.648 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.497 HH11 HD23 ' A' ' 49' ' ' LEU . 39.6 ttt-85 -111.26 130.09 23.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.755 -0.59 . . . . 0.0 109.635 -179.173 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -70.18 93.01 0.55 Allowed 'Trans proline' 0 C--N 1.315 -1.196 0 C-N-CA 120.961 1.107 . . . . 0.0 110.338 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.497 HD23 HH11 ' A' ' 47' ' ' ARG . 24.0 mt -59.39 -11.98 5.23 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.136 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 t -60.11 -20.2 57.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.607 -0.683 . . . . 0.0 109.484 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -79.83 -17.19 53.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.133 -0.979 . . . . 0.0 109.327 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -53.9 144.56 18.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 0.0 109.078 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.88 155.33 41.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.864 . . . . 0.0 109.242 178.91 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.88 -10.42 57.15 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.3 129.06 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.494 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -119.07 130.81 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.524 -0.735 . . . . 0.0 109.917 -179.326 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -71.52 123.58 22.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.168 -0.957 . . . . 0.0 108.554 179.667 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -90.57 138.25 31.71 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.839 179.816 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 59' ' ' ARG . 35.8 mtt-85 -100.76 170.69 8.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 109.317 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.329 -0.857 . . . . 0.0 110.927 -178.156 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.876 0.846 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 m -147.15 133.67 19.77 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.554 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.13 108.94 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.617 -1.302 . . . . 0.0 109.472 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.2 p -68.14 -8.8 41.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.478 -0.764 . . . . 0.0 109.39 179.472 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 49' ' ' LEU . 10.1 m-20 -96.16 -40.29 9.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.286 -0.884 . . . . 0.0 110.852 -179.07 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.627 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.5 p -133.49 11.68 4.11 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.704 -1.247 . . . . 0.0 111.354 -178.483 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 54.22 1.84 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.887 -1.133 . . . . 0.0 112.89 177.8 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.627 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.6 t -62.46 131.37 48.94 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.073 -1.642 . . . . 0.0 109.61 -178.814 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -102.18 -11.25 18.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.453 -0.779 . . . . 0.0 109.829 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -104.75 123.3 47.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.402 -0.811 . . . . 0.0 109.25 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.38 149.71 8.82 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.071 -1.018 . . . . 0.0 109.722 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.37 -21.79 10.05 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.28 1.987 . . . . 0.0 112.397 179.2 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 HH21 ' A' ' 24' ' ' ARG . 52.8 tp -152.28 120.26 6.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -178.34 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.47 128.53 33.98 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.516 HH21 HD23 ' A' ' 22' ' ' LEU . 26.6 mmt180 -103.98 170.89 7.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.51 -0.744 . . . . 0.0 109.156 -178.857 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -129.95 146.99 51.66 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.322 -0.862 . . . . 0.0 109.226 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.59 HD22 ' H ' ' A' ' 28' ' ' GLU . 2.2 t30 -85.72 139.94 35.5 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 0.0 109.087 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.71 -15.81 0.1 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.576 1.517 . . . . 0.0 112.209 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' H ' HD22 ' A' ' 26' ' ' ASN . 47.2 mt-10 -100.28 9.99 41.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 -179.46 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 12.89 74.33 Favored Glycine 0 N--CA 1.493 2.475 0 O-C-N 121.263 -0.898 . . . . 0.0 111.596 178.895 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -92.65 140.3 23.82 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 120.544 -1.562 . . . . 0.0 108.652 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.19 140.48 30.95 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.157 1.905 . . . . 0.0 113.904 -179.362 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.421 HD22 ' ND2' ' A' ' 14' ' ' ASN . 92.1 mt -135.21 159.96 39.89 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.516 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 31.2 p -87.61 -135.45 0.09 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.254 -1.529 . . . . 0.0 109.109 178.462 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.65 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.4 p-10 -83.73 -76.93 0.27 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.312 -0.867 . . . . 0.0 111.821 -179.249 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.65 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.72 -30.42 71.4 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.215 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.2 m -58.71 -57.95 10.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 119.868 -1.77 . . . . 0.0 110.492 -178.43 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.7 -41.43 97.47 Favored Glycine 0 N--CA 1.492 2.398 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.189 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.7 mt -69.5 -41.12 76.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.992 -1.299 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CZ ' ' CD2' ' A' ' 43' ' ' HIS . 30.0 t80 -80.1 -45.11 18.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 110.9 -179.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.59 -53.51 56.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.385 -0.822 . . . . 0.0 110.152 -177.741 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.02 -46.6 88.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.063 -1.023 . . . . 0.0 110.811 -179.563 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.95 -33.25 71.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.102 -0.999 . . . . 0.0 111.076 -178.305 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 67.2 m80 -89.76 -29.94 18.35 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.809 -1.182 . . . . 0.0 110.861 -178.21 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.28 13.61 73.64 Favored Glycine 0 N--CA 1.491 2.366 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.566 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.54 143.5 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.992 -1.299 . . . . 0.0 109.573 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 27.3 m -53.55 117.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.837 . . . . 0.0 109.897 -179.241 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -70.07 137.13 87.07 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.507 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -55.92 106.17 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 N-CA-C 109.028 -1.182 . . . . 0.0 109.028 178.214 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 14' ' ' ASN . 47.1 mt -58.53 -9.8 1.85 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.517 -0.74 . . . . 0.0 109.594 -178.584 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.7 m -61.94 -14.15 31.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.231 -0.918 . . . . 0.0 110.007 179.827 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.71 -9.12 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 109.27 -179.506 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -51.26 137.55 22.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.051 -1.031 . . . . 0.0 110.154 -178.956 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.23 149.96 35.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.22 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -87.62 -8.59 56.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.491 -0.756 . . . . 0.0 109.643 -179.768 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.46 129.19 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.466 -0.771 . . . . 0.0 109.198 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.5 mt -117.93 137.17 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.51 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -71.27 121.45 18.46 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.799 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -84.34 130.31 34.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.247 -0.908 . . . . 0.0 109.482 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.414 HH11 ' HG3' ' A' ' 59' ' ' ARG . 27.1 mmm-85 -96.57 167.29 11.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.947 -1.096 . . . . 0.0 109.07 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 p30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.921 -178.522 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 m . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.436 0.636 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.2 m -140.22 137.65 34.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.453 -0.779 . . . . 0.0 109.528 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -67.4 110.76 3.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 109.569 179.73 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.9 p -69.04 -9.52 52.94 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.745 -0.597 . . . . 0.0 109.701 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.648 ' ND2' HD22 ' A' ' 32' ' ' LEU . 66.5 m-20 -94.86 -42.42 8.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.226 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.2 p -130.36 4.73 4.75 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.964 -1.085 . . . . 0.0 111.236 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 57.93 3.98 0.26 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.986 . . . . 0.0 112.399 177.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.641 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -64.67 132.42 49.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.165 -1.585 . . . . 0.0 110.111 -178.669 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -99.51 -9.9 22.76 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.42 -0.8 . . . . 0.0 109.449 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.6 m -100.88 118.51 37.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.202 -0.936 . . . . 0.0 108.978 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -163.11 141.33 6.32 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 110.07 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.99 -20.64 19.19 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.054 1.836 . . . . 0.0 112.554 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' NH2' ' A' ' 24' ' ' ARG . 53.1 tp -154.92 122.42 5.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.841 -1.162 . . . . 0.0 109.978 -178.855 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.12 128.67 33.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.549 -0.719 . . . . 0.0 109.126 -179.465 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.603 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.6 mmt180 -109.12 176.8 4.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.611 -0.681 . . . . 0.0 109.75 -178.549 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.59 152.35 49.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.075 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.7 t30 -89.72 142.33 29.14 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.588 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -45.24 -10.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.33 1.353 . . . . 0.0 111.547 178.091 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.9 mt-10 -98.43 6.03 47.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.307 -0.871 . . . . 0.0 109.786 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.15 80.85 Favored Glycine 0 N--CA 1.492 2.388 0 O-C-N 121.267 -0.896 . . . . 0.0 111.174 179.652 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -87.13 145.23 37.64 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 120.673 -1.486 . . . . 0.0 108.386 178.902 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.08 132.51 9.46 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.093 1.862 . . . . 0.0 112.683 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 ' ND2' ' A' ' 14' ' ' ASN . 83.3 mt -128.14 160.68 31.27 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.101 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.6 p -82.97 -143.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.34 -1.475 . . . . 0.0 108.531 178.577 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.4 p-10 -80.75 -69.87 0.57 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.059 -1.025 . . . . 0.0 111.742 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.71 -36.1 81.86 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.797 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.5 m -57.65 -56.29 23.78 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 119.93 -1.731 . . . . 0.0 110.341 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 -44.25 97.11 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.74 -40.22 84.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -1.176 . . . . 0.0 109.861 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 91.0 t80 -74.57 -52.19 12.5 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.849 -0.532 . . . . 0.0 111.562 -178.868 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.43 -50.27 74.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.959 -1.088 . . . . 0.0 109.927 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.93 -47.88 83.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.006 -1.059 . . . . 0.0 110.811 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.1 -33.59 73.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 111.324 -177.792 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 65.3 m80 -88.95 -32.06 17.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.626 -1.296 . . . . 0.0 111.021 -178.511 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.72 10.55 8.48 Favored Glycine 0 N--CA 1.495 2.573 0 O-C-N 120.695 -1.253 . . . . 0.0 111.406 178.486 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.02 140.67 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.904 -1.351 . . . . 0.0 109.963 179.528 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -59.81 138.91 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.615 -0.678 . . . . 0.0 109.689 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.507 ' HG2' HH11 ' A' ' 47' ' ' ARG . 1.1 ttt-85 -153.5 137.01 10.26 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 108.503 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 16.1 Cg_exo -30.64 111.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 122.757 2.304 . . . . 0.0 113.667 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.89 -8.95 3.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.5 p -59.38 -11.06 3.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.402 -0.812 . . . . 0.0 109.563 -179.448 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.2 mt -70.57 -30.08 66.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 0.0 108.584 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 8.9 tmtm? -58.48 158.47 7.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 109.62 179.814 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.503 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -142.29 147.48 36.47 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.089 -1.007 . . . . 0.0 110.04 178.872 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -89.58 -4.16 57.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.539 -0.726 . . . . 0.0 109.605 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.02 121.65 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -114.88 130.02 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -81.73 137.78 35.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.225 -0.922 . . . . 0.0 108.634 179.606 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.85 128.79 34.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.779 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -101.45 170.87 7.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.29 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.961 0.886 . . . . 0.0 111.283 -177.163 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.403 0.621 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -141.68 147.14 37.02 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.333 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.0 t -72.84 110.0 6.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.024 -1.048 . . . . 0.0 108.398 179.442 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 p -67.9 -9.33 44.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 110.098 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -98.15 -40.13 8.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.824 . . . . 0.0 110.996 -179.434 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.604 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.1 p -129.1 4.81 5.3 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.787 -1.196 . . . . 0.0 111.522 -177.727 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 57.78 4.27 0.26 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.209 -0.932 . . . . 0.0 112.579 177.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.604 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -65.82 128.14 34.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.285 -1.51 . . . . 0.0 109.638 -178.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -98.27 -15.35 19.84 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.51 -0.744 . . . . 0.0 109.369 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -100.52 122.48 43.29 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.225 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -164.8 149.47 8.15 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.167 -0.958 . . . . 0.0 109.372 -179.553 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.47 -21.25 10.34 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.993 1.795 . . . . 0.0 112.828 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' NH2' ' A' ' 24' ' ' ARG . 20.4 tp -155.96 125.69 6.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.98 -1.075 . . . . 0.0 110.063 -179.261 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -84.79 129.62 34.79 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.647 0.737 . . . . 0.0 109.679 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.8 mmt180 -109.58 176.92 4.9 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.898 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -140.78 148.2 40.27 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.888 -179.764 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.558 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.1 t30 -87.12 142.67 33.9 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.405 -0.809 . . . . 0.0 108.938 179.852 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.27 -8.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.472 1.448 . . . . 0.0 112.265 178.897 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.4 mt-10 -92.66 4.99 52.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.221 -0.924 . . . . 0.0 108.82 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.2 85.82 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.05 146.35 38.28 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.331 -1.1 . . . . 0.0 108.708 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.34 138.85 14.28 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.511 1.474 . . . . 0.0 114.084 -178.929 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -131.74 160.05 36.65 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.896 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.9 p -83.92 -143.68 0.08 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.24 -1.537 . . . . 0.0 108.981 178.343 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.538 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 35.4 p-10 -80.2 -69.16 0.61 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 0.0 110.983 -179.518 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.35 -39.58 91.11 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.514 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.8 m -56.0 -54.38 45.54 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 119.923 -1.736 . . . . 0.0 110.053 -178.383 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.31 -43.66 98.76 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.523 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.0 -39.39 83.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.023 -1.281 . . . . 0.0 109.984 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 47.4 t80 -78.94 -49.87 12.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.352 -0.843 . . . . 0.0 111.366 -178.624 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.81 -49.98 75.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.219 -0.926 . . . . 0.0 110.451 -177.773 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -59.82 -49.58 77.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.088 -1.007 . . . . 0.0 110.295 -179.296 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.97 -34.1 72.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.106 -0.996 . . . . 0.0 111.435 -178.762 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.6 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -87.84 -37.05 16.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.439 -1.413 . . . . 0.0 110.037 -178.357 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.86 10.18 12.81 Favored Glycine 0 N--CA 1.488 2.152 0 C-N-CA 120.052 -1.07 . . . . 0.0 111.098 178.294 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.29 141.9 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.93 -1.335 . . . . 0.0 110.084 179.449 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.69 144.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.517 0.675 . . . . 0.0 110.139 -179.56 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.8 tpp180 -154.7 133.25 6.99 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -179.824 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 33.2 Cg_exo -33.88 105.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.334 2.023 . . . . 0.0 112.444 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.25 -11.59 10.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.5 p -59.33 -10.01 2.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.471 -0.768 . . . . 0.0 110.059 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.8 -39.62 73.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.092 -1.005 . . . . 0.0 108.691 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -54.16 170.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.214 -0.928 . . . . 0.0 109.338 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -147.49 157.3 43.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.132 -0.98 . . . . 0.0 110.22 179.04 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -87.11 -0.84 57.3 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.715 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.34 129.95 68.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.311 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -124.41 134.88 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 109.537 -179.022 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -83.76 139.52 32.67 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.082 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -83.51 130.84 35.02 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.932 -1.105 . . . . 0.0 109.577 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.41 ' HG3' ' NH1' ' A' ' 59' ' ' ARG . 19.0 mmm-85 -98.07 166.56 11.37 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.813 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.183 -0.948 . . . . 0.0 111.593 -178.134 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.729 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 0 C3'-C2'-C1' 106.828 2.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.991 1 O4'-C1'-N19 111.11 4.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 0 C3'-C2'-C1' 106.886 2.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.581 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.319 1 O4'-C1'-N19 111.748 4.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.031 1 O4'-C1'-N19 111.29 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.52 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 C3'-C2'-C1' 107.139 3.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 111.078 4.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.679 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.349 1 O4'-C1'-N19 111.357 4.447 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 1 O4'-C1'-N19 111.309 4.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.115 1 O4'-C1'-N19 111.427 4.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.05 4.062 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.447 ' OP2' ' CD2' ' A' ' 39' ' ' PHE . . . . . . . . 0 C5'--C4' 1.528 2.155 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.581 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.176 1 O4'-C1'-N19 111.218 4.273 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.752 1 O4'-C1'-N19 111.654 4.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.782 3.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.35 1 O4'-C1'-N19 111.72 4.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.674 3.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.668 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.689 3.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' SD ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -74.24 -11.84 60.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.087 -1.008 . . . . 0.0 109.694 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 5' ' ' GLU . 25.6 t-20 -60.56 -50.13 74.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.964 -1.085 . . . . 0.0 109.637 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.12 -6.41 0.1 OUTLIER Glycine 0 N--CA 1.493 2.461 0 O-C-N 121.167 -0.958 . . . . 0.0 111.209 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 3' ' ' ASN . 9.3 tt0 -70.01 -148.02 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.597 -1.531 . . . . 0.0 109.729 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -66.03 136.92 56.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.455 -0.778 . . . . 0.0 110.4 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -142.47 -26.32 0.63 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.36 -0.837 . . . . 0.0 109.814 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.06 102.23 0.83 Allowed Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -77.44 102.17 1.57 Allowed 'Trans proline' 0 N--CA 1.49 1.315 0 CA-C-N 119.543 1.671 . . . . 0.0 111.508 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -78.67 144.65 35.15 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m -127.92 131.32 49.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.25 -0.906 . . . . 0.0 110.263 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 12.0 t -80.26 113.47 18.46 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -66.59 -11.55 53.84 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.333 -0.855 . . . . 0.0 111.021 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.447 ' ND2' HD22 ' A' ' 32' ' ' LEU . 45.0 m-20 -96.83 -39.58 9.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.971 -1.081 . . . . 0.0 110.111 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.661 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.6 p -132.23 0.02 3.72 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.877 -1.14 . . . . 0.0 111.565 -177.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 60.02 6.15 0.89 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.94 -1.1 . . . . 0.0 112.212 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.661 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.5 t -66.11 133.36 50.57 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.22 -1.55 . . . . 0.0 109.69 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -102.6 -4.91 24.5 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.7 m -103.01 113.62 27.25 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -163.73 146.42 7.78 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.824 . . . . 0.0 109.412 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -79.31 -18.84 10.79 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.413 2.076 . . . . 0.0 111.843 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD23 ' NH2' ' A' ' 24' ' ' ARG . 35.5 tp -152.94 125.14 8.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -83.67 127.69 33.96 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.276 0.56 . . . . 0.0 109.87 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.53 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.9 mmt180 -109.27 171.62 7.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.562 -0.712 . . . . 0.0 109.56 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.98 153.99 47.03 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.276 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.3 t-20 -93.61 139.29 22.77 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.293 -0.88 . . . . 0.0 109.105 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.22 -7.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.683 1.588 . . . . 0.0 112.212 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 40.2 mt-10 -97.89 3.35 49.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.18 14.59 68.71 Favored Glycine 0 N--CA 1.495 2.574 0 O-C-N 121.46 -0.775 . . . . 0.0 111.866 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -93.79 137.01 23.32 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.733 -1.451 . . . . 0.0 108.923 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.2 135.53 20.84 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.808 1.672 . . . . 0.0 112.389 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD22 ' ND2' ' A' ' 14' ' ' ASN . 91.5 mt -130.91 160.7 33.71 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.4 p -86.9 -138.87 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.511 -1.368 . . . . 0.0 109.247 178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.88 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 2.4 p-10 -82.81 -71.66 0.48 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.744 -1.223 . . . . 0.0 111.645 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.88 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.81 -33.73 76.32 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.6 m -57.03 -55.92 28.4 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.105 -1.622 . . . . 0.0 110.293 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.44 95.06 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.34 -43.98 80.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -1.17 . . . . 0.0 111.308 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 48.3 t80 -78.93 -49.56 12.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 112.073 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.3 -49.4 77.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.98 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -59.93 -41.95 92.88 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.932 -1.105 . . . . 0.0 110.594 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.35 -30.06 66.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 55.9 m80 -92.46 -29.86 16.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.816 -1.177 . . . . 0.0 110.703 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 12.46 38.23 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.96 142.09 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 120.947 -1.325 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 m -62.63 145.19 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.545 -0.722 . . . . 0.0 110.186 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.598 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -145.5 137.18 12.95 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 50' ' ' SER . 56.0 Cg_exo -34.52 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.289 1.993 . . . . 0.0 113.664 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LYS . 95.1 mt -63.92 -3.27 2.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 48' ' ' PRO . 8.2 p -52.56 -12.31 0.27 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 49' ' ' LEU . 88.4 mt -77.74 3.18 14.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' LEU . 26.1 tptp -58.0 128.17 35.75 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.682 0.753 . . . . 0.0 109.629 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.61 142.92 30.5 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.804 0.812 . . . . 0.0 109.711 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 94.0 m-20 -92.65 -3.71 54.5 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.61 125.15 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.83 . . . . 0.0 109.275 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -72.62 127.68 33.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.942 . . . . 0.0 109.164 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -88.13 134.17 33.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.199 -0.938 . . . . 0.0 109.85 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -98.93 172.1 7.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.281 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -65.81 -179.21 0.67 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.21 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -139.96 177.06 8.24 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.699 0.761 . . . . 0.0 110.192 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -81.24 175.09 10.91 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.668 -0.645 . . . . 0.0 109.305 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 t -53.53 -46.33 70.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.835 . . . . 0.0 110.098 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.38 126.04 6.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.088 -1.008 . . . . 0.0 110.501 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -111.8 112.33 23.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.339 -0.85 . . . . 0.0 109.784 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.197 -0.94 . . . . 0.0 109.748 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.414 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 C3'-C2'-C1' 106.933 3.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.5 3.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.064 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.489 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O4'-C1'-N19 110.831 3.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.203 1 O4'-C1'-N19 111.421 4.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 O4'-C1'-N19 110.777 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.226 0 O4'-C1'-N19 110.687 3.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.294 0 C3'-C2'-C1' 106.916 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 O4'-C1'-N19 110.642 3.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.506 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.491 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.72 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.982 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.935 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.815 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.45 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.071 1 O4'-C1'-N19 111.335 4.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 1 O4'-C1'-N19 111.224 4.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -60.05 -39.49 86.15 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -78.61 104.24 9.09 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.355 -0.841 . . . . 0.0 109.072 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.03 30.77 2.78 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 108.219 -1.953 . . . . 0.0 108.219 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -83.54 25.04 0.79 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.584 -0.95 . . . . 0.0 109.495 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -58.94 -49.96 75.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 108.537 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -137.39 -51.77 0.65 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.3 -172.42 27.52 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -39.94 160.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.77 2.313 . . . . 0.0 112.421 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m -60.11 120.63 10.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.212 -0.93 . . . . 0.0 109.341 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -140.28 150.65 44.31 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.418 -0.801 . . . . 0.0 109.524 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -73.4 108.16 6.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.11 -0.994 . . . . 0.0 109.07 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.4 p -66.49 -9.98 39.94 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.521 -0.737 . . . . 0.0 109.176 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.503 ' ND2' HD22 ' A' ' 32' ' ' LEU . 24.3 m-20 -96.5 -40.02 9.27 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.28 -0.888 . . . . 0.0 110.81 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.616 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.1 p -133.7 5.74 3.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.859 -1.151 . . . . 0.0 111.217 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 55.7 3.89 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 112.24 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.616 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -62.48 131.39 49.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.096 -1.628 . . . . 0.0 109.272 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -98.66 -7.85 27.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.441 -0.787 . . . . 0.0 109.46 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -101.59 116.12 32.04 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.995 -1.066 . . . . 0.0 109.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -162.61 144.41 8.08 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 120.973 -1.08 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.3 -18.67 10.91 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.177 1.918 . . . . 0.0 111.832 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD23 HH21 ' A' ' 24' ' ' ARG . 13.8 tp -154.31 121.77 5.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.167 -0.958 . . . . 0.0 110.302 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -81.04 126.5 31.5 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 28.4 mmt180 -109.33 175.22 5.53 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -141.26 157.73 44.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.274 -0.891 . . . . 0.0 109.591 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.8 t30 -91.21 142.7 27.43 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -45.99 -7.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.093 1.195 . . . . 0.0 111.821 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -100.33 2.82 42.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -0.957 . . . . 0.0 109.977 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.81 20.97 57.06 Favored Glycine 0 N--CA 1.494 2.508 0 O-C-N 121.152 -0.967 . . . . 0.0 111.42 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -96.5 112.24 59.45 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.773 -1.428 . . . . 0.0 108.837 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -49.55 133.65 32.09 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.961 1.774 . . . . 0.0 113.634 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.503 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.0 mt -130.66 159.99 35.58 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.5 p -86.16 -137.81 0.08 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.31 -1.494 . . . . 0.0 108.598 178.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 3.5 p30 -83.21 -70.66 0.54 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.623 -1.298 . . . . 0.0 111.77 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.482 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.86 -32.65 74.45 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -56.81 -52.53 64.7 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.106 -1.621 . . . . 0.0 110.207 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.98 -44.39 61.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.083 -1.056 . . . . 0.0 110.793 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.72 -41.26 88.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.388 . . . . 0.0 110.258 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.657 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -71.72 -51.8 21.0 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.966 -1.084 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.53 -49.48 76.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.108 -0.995 . . . . 0.0 109.212 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.6 -47.81 84.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 109.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.47 -33.92 71.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.325 -0.859 . . . . 0.0 112.128 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.657 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 67.1 m80 -93.76 -31.37 14.43 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.63 -1.294 . . . . 0.0 110.824 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.11 48.29 74.98 Favored Glycine 0 N--CA 1.494 2.546 0 O-C-N 120.823 -1.173 . . . . 0.0 110.945 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' VAL . 15.5 m -140.97 157.31 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.018 -1.284 . . . . 0.0 110.203 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' VAL . 13.0 m -37.4 119.22 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-O 122.652 1.215 . . . . 0.0 110.841 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -41.52 102.52 0.27 Allowed Pre-proline 0 N--CA 1.492 1.638 0 CA-C-N 114.242 -1.345 . . . . 0.0 113.561 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -94.11 83.47 0.15 Allowed 'Trans proline' 0 N--CA 1.488 1.152 0 C-N-CA 122.927 2.418 . . . . 0.0 110.383 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.41 -23.17 67.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.85 . . . . 0.0 110.685 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.8 p -53.28 -29.98 36.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.077 -1.014 . . . . 0.0 111.132 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.45 -21.36 53.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.663 -1.273 . . . . 0.0 109.715 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -59.31 156.89 11.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.982 -1.074 . . . . 0.0 109.617 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.0 149.71 40.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.264 -0.897 . . . . 0.0 108.974 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.5 -5.32 57.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.612 -0.68 . . . . 0.0 109.411 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.07 129.92 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -122.7 135.31 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 CA-C-O 121.595 0.712 . . . . 0.0 109.792 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -81.53 132.44 35.31 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -83.26 130.23 35.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.254 -0.904 . . . . 0.0 109.034 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' A' ' 59' ' ' ARG . 22.2 mmm-85 -98.31 172.05 7.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.081 -1.012 . . . . 0.0 109.66 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -68.24 172.22 6.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 0.0 111.174 -177.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -145.08 168.5 20.16 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 121.219 0.533 . . . . 0.0 109.864 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -84.08 139.77 32.26 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.244 -0.91 . . . . 0.0 109.906 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.1 p -55.15 -32.33 62.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.221 -0.924 . . . . 0.0 110.305 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.72 126.99 28.27 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.289 -0.882 . . . . 0.0 109.2 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -61.81 -41.78 98.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.197 -0.94 . . . . 0.0 109.544 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.443 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.75 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.391 3.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.186 4.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.434 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.14 0 O4'-C1'-N19 110.967 3.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.571 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.933 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.103 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 1 O4'-C1'-N19 111.109 4.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.103 0 O4'-C1'-N19 110.797 3.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.182 4.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.656 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.307 3.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 O4'-C1'-N19 110.971 3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.563 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.116 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.563 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.43 4.538 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.371 1 O4'-C1'-N19 111.567 4.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.167 1 O4'-C1'-N19 111.018 4.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.201 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.345 1 O4'-C1'-N19 111.178 4.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.049 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.521 4.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.818 3.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.202 3.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 ttm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.129 0.49 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 49.63 -140.68 0.74 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.045 -1.034 . . . . 0.0 109.133 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -93.2 166.75 12.17 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.811 -1.18 . . . . 0.0 110.424 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.539 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . 80.24 3.76 89.77 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 4' ' ' GLY . 56.9 mp0 0.89 -91.4 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 123.095 0.558 . . . . 0.0 112.33 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.55 ' O ' ' C ' ' A' ' 7' ' ' ASN . 73.0 tp60 -147.65 147.77 30.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.717 -1.24 . . . . 0.0 108.864 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.55 ' C ' ' O ' ' A' ' 6' ' ' GLN . 32.1 p30 -0.76 -110.21 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.434 0 C-N-CA 123.102 0.561 . . . . 0.0 112.276 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 10' ' ' THR . . . 135.28 -55.31 0.73 Allowed Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 24.2 Cg_exo -61.65 48.86 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.69 2.26 . . . . 0.0 112.824 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 8' ' ' GLY . 87.7 m -61.83 122.56 15.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.371 -0.831 . . . . 0.0 109.241 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -143.83 145.03 32.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.147 -0.971 . . . . 0.0 109.441 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.7 t -70.35 110.82 5.51 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.028 -1.045 . . . . 0.0 108.389 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.4 p -66.74 -10.08 43.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.562 -0.711 . . . . 0.0 109.463 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.456 ' ND2' HD22 ' A' ' 32' ' ' LEU . 30.5 m-20 -96.47 -41.83 8.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.543 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.534 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.4 p -129.17 3.57 5.22 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.809 -1.182 . . . . 0.0 111.714 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 61.02 3.52 0.68 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.125 -0.984 . . . . 0.0 112.61 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.534 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.1 t -64.92 132.8 50.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.359 -1.463 . . . . 0.0 109.756 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -98.66 -12.22 21.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.487 -0.758 . . . . 0.0 109.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -99.98 121.95 42.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -0.977 . . . . 0.0 110.305 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.53 ' CB ' HD21 ' A' ' 34' ' ' ASN . 5.5 t -163.97 144.75 6.82 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 109.942 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.67 -17.48 11.11 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.013 1.809 . . . . 0.0 111.327 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD23 ' NH2' ' A' ' 24' ' ' ARG . 37.0 tp -152.65 128.85 10.47 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 122.002 0.906 . . . . 0.0 109.801 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -88.22 125.36 34.6 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.488 0.661 . . . . 0.0 109.559 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.507 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.2 mmt180 -107.08 174.31 5.94 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HG3' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -140.95 150.95 43.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.124 -0.985 . . . . 0.0 108.995 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.9 t-20 -90.97 140.58 26.12 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 108.798 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -42.96 -9.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.779 1.653 . . . . 0.0 112.457 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.2 mt-10 -96.17 2.53 53.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 108.959 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 7.96 83.35 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -85.24 137.73 36.95 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 120.602 -1.528 . . . . 0.0 107.771 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.07 134.21 15.84 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.073 1.849 . . . . 0.0 112.835 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD22 ' ND2' ' A' ' 14' ' ' ASN . 71.8 mt -124.1 160.03 28.67 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.7 p -82.19 -144.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.341 -1.474 . . . . 0.0 108.226 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.53 HD21 ' CB ' ' A' ' 20' ' ' THR . 1.3 p30 -80.87 -65.71 0.98 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.125 -0.984 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.22 93.64 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.6 m -58.23 -52.27 66.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.729 -1.857 . . . . 0.0 109.619 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.46 -45.0 95.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.571 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 56.7 mt -68.75 -40.66 79.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.102 -1.234 . . . . 0.0 111.338 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.63 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.0 t80 -77.82 -48.07 17.38 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.123 -0.985 . . . . 0.0 111.286 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.18 -48.93 79.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 110.531 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.08 -40.42 89.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.955 -1.091 . . . . 0.0 109.559 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.16 -35.17 73.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.947 . . . . 0.0 111.551 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.63 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 45.5 m80 -92.37 -33.18 14.67 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.562 -1.336 . . . . 0.0 111.212 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.89 10.88 56.93 Favored Glycine 0 N--CA 1.491 2.319 0 O-C-N 120.641 -1.287 . . . . 0.0 111.1 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.66 145.74 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 120.757 -1.437 . . . . 0.0 110.367 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -49.89 153.41 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -0.928 . . . . 0.0 109.023 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -151.77 136.62 10.45 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.132 -0.98 . . . . 0.0 108.971 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -35.48 96.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.116 1.877 . . . . 0.0 113.358 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 51' ' ' LEU . 83.7 mt -59.15 -15.6 15.42 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.7 m -56.7 -5.82 0.26 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.6 -0.687 . . . . 0.0 109.68 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' A' ' 49' ' ' LEU . 89.5 mt -77.73 -19.54 55.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.138 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -53.08 150.55 5.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 109.617 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 t -149.63 158.27 44.02 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.578 -0.701 . . . . 0.0 109.424 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -88.08 -6.89 57.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.515 -0.741 . . . . 0.0 110.259 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -112.32 130.69 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.357 -0.839 . . . . 0.0 109.447 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.55 133.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.728 -0.608 . . . . 0.0 110.27 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.1 130.04 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -82.49 130.24 35.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.835 . . . . 0.0 109.901 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -96.37 158.43 15.44 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.866 0.841 . . . . 0.0 109.225 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -80.79 -159.54 0.25 Allowed 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.626 0.727 . . . . 0.0 110.191 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -125.79 153.19 44.4 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -82.32 -11.67 58.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.902 -1.124 . . . . 0.0 109.213 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.8 m -65.48 129.26 39.12 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.22 -0.925 . . . . 0.0 109.185 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.09 123.12 48.22 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -73.37 -10.03 59.31 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.179 -0.951 . . . . 0.0 108.854 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.542 -179.801 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.058 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.33 0 O4'-C1'-N19 110.791 3.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.378 3.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.449 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 111.089 4.112 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.65 1 O4'-C1'-N19 111.743 4.929 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.1 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.263 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.802 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.705 3.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 1 O4'-C1'-N19 111.247 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 1 O4'-C1'-N19 111.307 4.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.76 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.472 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.454 3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-N19 110.78 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.049 1 O4'-C1'-N19 111.323 4.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.467 1 O4'-C1'-N19 111.123 4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.543 3.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.443 " O3'" ' ND2' ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.533 2.723 0 C3'-C2'-C1' 107.119 3.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . 0.718 ' P ' HD22 ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.262 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.438 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.623 3.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 1 O4'-C1'-N19 111.22 4.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptm . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.18 0.514 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 50.06 -141.24 0.73 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.263 -0.898 . . . . 0.0 109.549 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -80.02 167.49 20.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.989 -1.069 . . . . 0.0 109.478 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . 77.38 -127.34 8.3 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -46.29 89.97 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.385 -1.067 . . . . 0.0 110.499 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 4' ' ' GLY . 42.4 mt-30 -56.26 -40.84 74.85 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.521 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 11.4 p30 -161.91 -93.45 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.159 -0.963 . . . . 0.0 109.544 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.521 ' H ' ' CG ' ' A' ' 7' ' ' ASN . . . -80.09 170.86 54.08 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.26 -170.19 0.29 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 123.101 2.534 . . . . 0.0 112.094 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.6 m -61.01 119.96 9.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.657 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.0 m -143.86 134.43 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.377 -0.827 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.4 t -64.37 109.22 1.85 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.779 -1.201 . . . . 0.0 108.988 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -67.51 -9.99 47.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.704 -0.623 . . . . 0.0 110.174 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -98.79 -40.01 8.34 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.917 . . . . 0.0 110.937 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.1 p -130.46 4.62 4.7 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.918 -1.114 . . . . 0.0 110.533 -178.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 56.13 5.27 0.16 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 113.039 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.7 t -62.31 129.76 42.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.017 -1.677 . . . . 0.0 109.265 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -98.38 -4.93 33.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.422 -0.799 . . . . 0.0 110.148 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -111.21 121.31 44.96 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.381 -0.825 . . . . 0.0 109.34 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.04 147.68 6.91 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.913 -1.117 . . . . 0.0 109.921 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.22 -18.3 12.73 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.03 1.82 . . . . 0.0 112.076 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.504 HD23 ' NH2' ' A' ' 24' ' ' ARG . 29.5 tp -154.07 128.05 8.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.248 -0.908 . . . . 0.0 110.182 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -88.04 127.77 35.4 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.388 0.614 . . . . 0.0 110.016 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.504 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.9 mmt180 -109.41 176.3 5.13 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 25' ' ' ARG . 10.6 ptt-85 -137.39 151.28 48.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLU . 27.6 t30 -86.88 141.81 33.77 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.364 -0.835 . . . . 0.0 108.956 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.53 -11.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.314 1.343 . . . . 0.0 111.884 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.2 mt-10 -99.71 6.38 45.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.383 -0.823 . . . . 0.0 109.745 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.47 15.75 70.47 Favored Glycine 0 N--CA 1.492 2.379 0 O-C-N 121.309 -0.87 . . . . 0.0 111.245 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -91.9 114.63 62.63 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 120.654 -1.497 . . . . 0.0 109.297 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.31 132.55 24.09 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.852 1.701 . . . . 0.0 112.814 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.8 mt -127.38 159.84 33.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.3 p -84.19 -140.39 0.07 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.4 -1.437 . . . . 0.0 108.836 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -82.11 -70.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 112.046 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -33.73 75.97 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 113.613 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.17 -56.59 19.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.162 -1.587 . . . . 0.0 110.258 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.73 -41.98 99.76 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.478 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 90.1 mt -67.88 -40.16 83.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.098 -1.236 . . . . 0.0 110.988 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 43.1 t80 -80.73 -46.87 14.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 111.721 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 tp -60.91 -50.04 75.01 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.101 -1.0 . . . . 0.0 110.19 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 3.1 ttmp? -59.92 -49.08 79.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.014 -1.054 . . . . 0.0 110.271 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.96 -32.49 70.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.234 -0.916 . . . . 0.0 111.375 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 73.8 m80 -93.91 -38.2 11.32 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.644 -1.285 . . . . 0.0 111.415 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.73 60.53 Favored Glycine 0 N--CA 1.492 2.416 0 O-C-N 120.555 -1.34 . . . . 0.0 111.524 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.08 163.97 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.865 -1.373 . . . . 0.0 109.899 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.6 m -51.36 145.41 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.153 -0.967 . . . . 0.0 109.379 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 49' ' ' LEU . 5.4 ttm180 -130.37 112.31 16.74 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.739 -0.6 . . . . 0.0 109.769 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 50' ' ' SER . 71.2 Cg_exo -47.51 96.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 120.936 1.09 . . . . 0.0 110.011 177.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ARG . 90.0 mt -56.25 -10.48 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.224 -0.923 . . . . 0.0 108.763 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 48' ' ' PRO . 20.6 m -59.93 -10.82 4.47 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.71 -29.01 61.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -50.89 147.85 4.65 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.882 . . . . 0.0 110.185 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.39 158.35 44.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.426 -0.797 . . . . 0.0 109.679 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -85.76 -10.46 55.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.95 128.54 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.229 -0.92 . . . . 0.0 109.415 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.5 mt -120.68 134.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -70.79 120.67 16.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.089 -1.007 . . . . 0.0 108.947 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -83.44 134.9 34.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HG3' HH11 ' A' ' 59' ' ' ARG . 17.8 mmm-85 -102.37 167.54 9.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -76.8 -161.15 0.18 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.35 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -144.91 154.15 42.3 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.532 -0.73 . . . . 0.0 109.224 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.718 HD22 ' P ' ' C' ' 123' ' ' ' DG' . 40.2 p-10 -89.3 -10.9 45.09 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.6 m -140.7 157.72 45.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.403 -0.81 . . . . 0.0 109.322 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.7 149.96 50.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.593 -0.692 . . . . 0.0 109.169 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -155.19 155.88 34.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.863 . . . . 0.0 108.974 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.004 -1.06 . . . . 0.0 109.501 -179.796 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.686 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 C3'-C2'-C1' 107.045 3.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.883 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 O4'-C1'-N19 110.773 3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 0 O4'-C1'-N19 110.233 3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.508 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.535 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.154 1 O4'-C1'-N19 111.25 4.312 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.059 1 O4'-C1'-N19 111.678 4.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.555 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.036 4.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 110.986 3.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.691 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C1'-N19 110.546 3.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.286 0 O4'-C1'-N19 110.917 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.267 0 O4'-C1'-N19 110.703 3.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.962 0 O4'-C1'-N19 110.99 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.669 4.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.402 4.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.535 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.416 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.173 1 O4'-C1'-N19 111.53 4.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 1 O4'-C1'-N19 111.485 4.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.234 4.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -65.19 149.71 49.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.26 -0.9 . . . . 0.0 108.93 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -93.41 109.38 20.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.247 -0.908 . . . . 0.0 109.927 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.88 81.77 0.03 OUTLIER Glycine 0 N--CA 1.493 2.485 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.3 138.7 58.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.189 -1.183 . . . . 0.0 109.325 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -95.44 131.59 41.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.192 -0.942 . . . . 0.0 109.496 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -55.94 -48.01 76.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.825 . . . . 0.0 109.638 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.72 -82.63 0.35 Allowed Glycine 0 N--CA 1.498 2.794 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -71.8 60.86 2.95 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.441 2.094 . . . . 0.0 112.651 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m -59.57 124.69 20.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.172 -0.955 . . . . 0.0 108.965 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -139.26 146.96 41.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.328 -0.857 . . . . 0.0 109.442 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.8 t -75.42 111.0 10.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.153 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.6 p -69.0 -10.62 58.43 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.717 -0.614 . . . . 0.0 110.579 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' ND2' HD22 ' A' ' 32' ' ' LEU . 41.5 m-20 -97.36 -39.25 9.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.025 -1.047 . . . . 0.0 110.678 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.668 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.3 p -129.59 6.14 5.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.928 -1.107 . . . . 0.0 111.173 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 56.39 1.41 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.103 -0.998 . . . . 0.0 112.561 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.668 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -63.65 130.92 46.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.27 -1.519 . . . . 0.0 109.332 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -102.55 -6.32 22.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -102.91 117.93 35.71 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.81 148.75 6.67 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 109.948 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.1 -17.6 13.37 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.037 1.825 . . . . 0.0 112.226 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.525 HD23 ' NH2' ' A' ' 24' ' ' ARG . 22.1 tp -156.91 122.26 4.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.971 -1.081 . . . . 0.0 110.889 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -79.99 128.1 33.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.1 mmt180 -108.36 173.33 6.37 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -140.04 149.58 43.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.516 -0.74 . . . . 0.0 109.176 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.0 t-20 -87.89 140.95 31.22 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -47.2 -6.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.177 1.251 . . . . 0.0 112.002 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' ASN . 66.8 mm-40 -101.64 -0.36 34.84 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.325 -0.859 . . . . 0.0 109.557 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 23.3 38.58 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.281 -0.887 . . . . 0.0 111.287 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.56 111.67 60.65 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 120.842 -1.387 . . . . 0.0 108.648 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.53 131.28 32.24 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 121.922 1.748 . . . . 0.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 HD22 ' ND2' ' A' ' 14' ' ' ASN . 85.4 mt -129.78 159.47 36.43 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.14 -140.45 0.06 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.384 -1.448 . . . . 0.0 108.732 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 21.9 p-10 -81.84 -69.91 0.58 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 111.667 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -65.56 -33.31 75.61 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -55.62 -55.71 28.9 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 119.957 -1.714 . . . . 0.0 109.888 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -41.39 97.33 Favored Glycine 0 N--CA 1.489 2.226 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.781 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.88 -40.01 79.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.874 -1.368 . . . . 0.0 111.007 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 19.7 t80 -80.74 -42.19 22.28 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.012 -1.055 . . . . 0.0 111.004 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.5 -53.31 56.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.193 -0.942 . . . . 0.0 110.406 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.07 -40.8 90.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.907 -1.121 . . . . 0.0 110.578 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.99 -30.63 68.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.077 -1.014 . . . . 0.0 111.092 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CZ ' ' A' ' 39' ' ' PHE . 69.1 m80 -98.38 -21.62 16.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.762 -1.211 . . . . 0.0 110.516 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.06 9.36 40.66 Favored Glycine 0 N--CA 1.491 2.36 0 O-C-N 120.523 -1.36 . . . . 0.0 110.844 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.68 145.2 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.042 -1.269 . . . . 0.0 109.136 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 46' ' ' VAL . 23.1 m -56.01 125.22 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' PRO . 19.4 ttp180 -93.85 131.15 32.62 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.415 -0.803 . . . . 0.0 109.208 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ARG . 84.5 Cg_exo -40.38 104.88 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.163 1.242 . . . . 0.0 110.614 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.91 -12.97 3.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.603 -0.686 . . . . 0.0 109.426 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -60.96 -19.6 61.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.423 -0.798 . . . . 0.0 110.15 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.2 mt -77.07 -24.6 51.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.102 -0.999 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -57.35 157.2 6.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.925 . . . . 0.0 108.786 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.07 159.45 43.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.964 -1.085 . . . . 0.0 109.525 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -86.49 -6.88 58.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 109.598 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.09 136.66 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.8 mt -127.94 140.01 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.312 -0.868 . . . . 0.0 109.878 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -81.84 130.03 34.94 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -85.13 134.93 34.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 108.96 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 59' ' ' ARG . 42.3 mtt-85 -98.05 164.02 12.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.117 -0.99 . . . . 0.0 109.318 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -78.69 -162.27 0.36 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -135.34 136.53 41.6 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -152.69 124.12 7.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.048 -1.033 . . . . 0.0 109.616 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.8 p -70.08 159.58 33.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.341 -0.849 . . . . 0.0 109.449 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.44 148.54 25.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.322 -0.861 . . . . 0.0 109.354 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -63.0 -39.95 96.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.047 -1.033 . . . . 0.0 109.714 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.282 179.652 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.857 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.502 0 C3'-C2'-C1' 106.934 3.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.045 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . 0.406 ' OP2' HD11 ' A' ' 22' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.216 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.475 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.658 3.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.475 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.791 1 O4'-C1'-N19 111.31 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C1'-N19 111.682 4.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.788 3.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.507 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 1 O4'-C1'-N19 111.1 4.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.327 4.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 0 O4'-C1'-N19 110.773 3.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C1'-N19 110.878 3.847 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.729 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.886 3.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.013 1 O4'-C1'-N19 111.055 4.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.737 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.966 1 O4'-C1'-N19 111.326 4.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.466 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.974 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.404 ' C4 ' ' O6 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 2.036 1 O4'-C1'-N19 111.292 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.51 3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.934 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.037 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.071 0 O4'-C1'-N19 110.583 3.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -92.27 121.5 33.85 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.291 -0.881 . . . . 0.0 109.126 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 5' ' ' GLU . 7.4 p30 -68.18 -40.25 82.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 0.0 110.734 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.42 -5.23 16.23 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' ASN . 36.7 tp10 -120.01 134.41 55.26 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.84 78.13 0.08 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.853 -1.154 . . . . 0.0 109.144 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' GLU . 42.3 t30 -60.95 -58.25 9.24 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.6 159.14 24.72 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.04 25.76 0.34 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.461 2.107 . . . . 0.0 112.281 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.7 m -64.53 120.01 11.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 0.0 109.544 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.7 m -147.58 145.31 28.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.362 -0.836 . . . . 0.0 109.255 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.8 t -71.58 111.38 6.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.141 -0.974 . . . . 0.0 109.015 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 p -68.36 -9.12 45.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -96.92 -42.35 7.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.5 p -129.86 3.02 4.89 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.968 -1.083 . . . . 0.0 111.196 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 58.75 4.86 0.42 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.189 -0.944 . . . . 0.0 112.897 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -66.22 132.84 49.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.087 -1.633 . . . . 0.0 110.536 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -101.67 -2.36 30.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.569 -0.707 . . . . 0.0 109.963 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -108.98 119.1 38.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.336 -0.853 . . . . 0.0 108.747 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -164.15 144.75 6.64 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -76.34 -18.61 15.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.139 1.893 . . . . 0.0 111.96 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.566 HD23 HH21 ' A' ' 24' ' ' ARG . 28.0 tp -154.52 124.72 6.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.184 -0.947 . . . . 0.0 110.306 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -83.98 128.86 34.84 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.58 0.705 . . . . 0.0 110.159 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.566 HH21 HD23 ' A' ' 22' ' ' LEU . 29.3 mmt180 -111.97 178.71 4.22 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -139.26 154.55 47.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 109.497 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 15.6 t30 -93.4 141.46 23.97 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -44.12 -10.6 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.576 1.518 . . . . 0.0 112.385 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.1 mm-40 -92.79 5.75 50.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.011 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.7 5.58 88.03 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -86.33 146.49 42.39 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 120.948 -1.325 . . . . 0.0 108.894 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.03 138.44 18.31 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.299 1.999 . . . . 0.0 113.168 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.9 mt -129.25 159.98 34.39 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 30.1 p -85.0 -134.07 0.05 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.447 -1.408 . . . . 0.0 109.123 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.492 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 4.7 p30 -83.19 -83.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.136 -0.977 . . . . 0.0 112.131 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.24 -27.96 68.82 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 m -56.37 -54.09 49.63 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 119.967 -1.708 . . . . 0.0 110.203 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.36 -44.65 64.17 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.461 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.908 -1.348 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 42.9 t80 -76.09 -46.4 29.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.596 -0.69 . . . . 0.0 111.68 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.08 -50.44 71.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.944 -1.097 . . . . 0.0 110.965 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -59.92 -42.15 93.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.94 -30.36 67.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.046 -1.034 . . . . 0.0 110.622 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -94.13 -36.94 11.84 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.717 -1.239 . . . . 0.0 111.143 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.08 10.19 55.85 Favored Glycine 0 N--CA 1.493 2.435 0 O-C-N 120.571 -1.331 . . . . 0.0 111.507 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.38 146.93 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.897 -1.354 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 m -54.16 144.3 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.305 -0.872 . . . . 0.0 109.386 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HE ' ' HD2' ' A' ' 48' ' ' PRO . 2.5 tpm_? -150.03 128.52 6.0 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.437 ' HD2' ' HE ' ' A' ' 47' ' ' ARG . 41.8 Cg_exo -34.27 108.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.124 1.883 . . . . 0.0 112.977 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.69 -8.39 2.02 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.7 p -58.61 -13.94 7.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.442 -0.787 . . . . 0.0 109.497 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.33 -30.61 66.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 108.335 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 10.1 tmtt? -55.87 155.75 5.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.462 -0.774 . . . . 0.0 109.711 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.06 148.13 36.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.451 -0.781 . . . . 0.0 109.519 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 75.8 m-20 -87.97 -4.61 58.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.495 -0.753 . . . . 0.0 109.216 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -110.27 125.92 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.98 134.1 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.555 0.693 . . . . 0.0 110.15 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -81.51 131.93 35.3 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -80.51 131.77 35.59 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.16 -0.962 . . . . 0.0 108.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -100.37 167.39 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.827 . . . . 0.0 108.966 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.9 p30 -78.87 -163.33 0.47 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.454 -0.779 . . . . 0.0 110.014 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.544 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.0 OUTLIER -130.04 130.8 45.39 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -89.0 130.03 35.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.116 -0.99 . . . . 0.0 109.785 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.1 t -99.97 121.54 41.51 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.3 112.53 7.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.348 -0.845 . . . . 0.0 109.168 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -72.63 -12.68 61.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 0.0 109.416 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.294 179.678 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.415 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 110.676 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.569 0 O4'-C1'-N19 110.449 3.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.478 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.206 1 O4'-C1'-N19 111.077 4.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.23 1 O4'-C1'-N19 111.347 4.433 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.485 ' N3 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.216 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.429 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 0 O4'-C1'-N19 110.958 3.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.241 4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.668 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.703 3.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.459 ' OP2' ' CD1' ' A' ' 39' ' ' PHE . . . . . . . . 0 C5'--C4' 1.529 2.197 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.344 0 O4'-C1'-N19 110.784 3.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C1'-N19 112.021 5.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.439 0 C3'-C2'-C1' 106.943 3.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.654 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.26 -28.84 69.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.489 -0.757 . . . . 0.0 109.835 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -58.16 129.32 41.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.079 -1.013 . . . . 0.0 109.9 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' H ' ' H ' ' A' ' 5' ' ' GLU . . . -179.93 6.45 0.02 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.889 -1.684 . . . . 0.0 108.889 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' H ' ' H ' ' A' ' 4' ' ' GLY . 3.1 pp20? -144.34 158.39 43.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.459 -1.024 . . . . 0.0 109.354 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -98.65 -99.77 0.22 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.497 -0.752 . . . . 0.0 109.882 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -89.3 -174.44 4.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.102 -0.999 . . . . 0.0 109.704 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.62 -76.04 0.06 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -79.01 12.24 2.33 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.756 2.304 . . . . 0.0 111.931 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.9 m -59.65 119.48 7.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.205 -0.934 . . . . 0.0 108.839 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.0 m -141.28 148.76 40.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.722 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.3 t -77.03 112.89 14.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.469 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -10.27 48.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 109.987 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.418 ' OD1' HD22 ' A' ' 32' ' ' LEU . 3.7 m120 -98.96 -40.15 8.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.346 -0.846 . . . . 0.0 110.511 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.636 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.9 p -132.38 10.53 4.46 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.952 -1.093 . . . . 0.0 111.591 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 52.0 -0.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.684 -1.26 . . . . 0.0 112.617 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.636 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.3 t -60.06 134.96 57.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.156 -1.59 . . . . 0.0 109.788 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -102.89 -11.98 17.86 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.345 -0.847 . . . . 0.0 109.384 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -98.27 119.98 37.89 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.189 -0.945 . . . . 0.0 108.976 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -163.43 146.23 8.02 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.8 -20.76 13.16 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.188 1.925 . . . . 0.0 112.055 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD23 ' NH2' ' A' ' 24' ' ' ARG . 22.7 tp -155.41 120.55 4.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 110.13 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.33 129.23 34.53 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.555 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.3 mmt180 -109.93 -179.29 3.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.56 149.86 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.259 -0.901 . . . . 0.0 109.398 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.2 t30 -88.03 141.0 30.98 Favored Pre-proline 0 N--CA 1.489 1.521 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.25 -9.82 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.607 1.538 . . . . 0.0 112.777 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.7 mt-10 -98.05 7.05 46.9 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.056 -1.027 . . . . 0.0 109.726 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.22 10.78 77.2 Favored Glycine 0 N--CA 1.494 2.547 0 O-C-N 121.276 -0.89 . . . . 0.0 111.316 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -90.91 142.16 27.3 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 120.712 -1.463 . . . . 0.0 108.415 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.25 133.8 15.13 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.8 1.666 . . . . 0.0 112.783 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD22 ' OD1' ' A' ' 14' ' ' ASN . 83.0 mt -125.64 159.71 31.51 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.5 -143.76 0.07 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.424 -1.422 . . . . 0.0 107.664 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.506 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 29.8 p-10 -81.19 -68.08 0.72 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.865 -1.147 . . . . 0.0 111.921 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.506 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.12 -37.7 86.1 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.0 m -58.03 -56.73 18.28 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.125 -1.609 . . . . 0.0 110.651 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.92 99.13 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.67 -40.04 88.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.245 . . . . 0.0 110.146 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 57.9 t80 -80.32 -48.3 13.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.561 -0.712 . . . . 0.0 111.611 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.14 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 109.841 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.05 -43.36 95.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.946 -1.096 . . . . 0.0 110.714 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.16 -31.0 68.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.039 -1.038 . . . . 0.0 111.738 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.644 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 55.2 m80 -96.84 -34.31 11.33 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.69 -1.256 . . . . 0.0 111.002 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.65 13.62 46.61 Favored Glycine 0 N--CA 1.49 2.266 0 O-C-N 120.587 -1.32 . . . . 0.0 111.203 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.35 140.79 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.931 -1.335 . . . . 0.0 110.205 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -59.36 140.08 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-O 121.375 0.607 . . . . 0.0 109.684 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.608 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -152.36 138.27 11.62 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 108.576 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -33.05 108.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.44 2.094 . . . . 0.0 113.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.77 -7.23 3.31 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.7 m -57.83 -9.99 1.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 0.0 109.016 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.75 -29.48 65.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.261 -0.9 . . . . 0.0 108.638 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -57.64 154.97 10.56 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.375 -0.828 . . . . 0.0 109.641 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.48 150.25 40.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.254 -0.904 . . . . 0.0 109.26 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -86.94 -7.17 58.43 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.308 -0.87 . . . . 0.0 109.809 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 p -108.38 129.69 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.12 133.56 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.452 -0.78 . . . . 0.0 110.059 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -84.04 131.28 34.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.463 -0.773 . . . . 0.0 109.036 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -82.06 129.89 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 59' ' ' ARG . 22.3 mtt-85 -98.08 169.94 9.26 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.327 -0.858 . . . . 0.0 109.003 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -72.47 179.34 3.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -0.933 . . . . 0.0 110.901 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HG3' HH11 ' A' ' 61' ' ' ARG . 36.1 mtm-85 -147.48 170.52 17.23 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.469 0.652 . . . . 0.0 109.569 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -147.18 -35.4 0.24 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.3 p -72.85 -27.01 61.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.882 . . . . 0.0 109.46 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.67 84.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.313 -0.867 . . . . 0.0 109.81 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -77.03 159.9 29.52 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.996 -1.065 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.22 -179.575 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.434 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O4'-C1'-N19 110.353 3.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 1 O4'-C1'-N19 111.115 4.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.308 4.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.438 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.827 ' N7 ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.98 5.225 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.582 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.821 5.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.687 4.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.166 1 O4'-C1'-N19 111.14 4.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.25 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.262 1 O4'-C1'-N19 111.055 4.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.517 0 O4'-C1'-N19 110.851 3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.399 4.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.434 4.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.814 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.321 3.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 1 O4'-C1'-N19 111.101 4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.469 1 O4'-C1'-N19 111.041 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.321 4.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.543 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.424 4.53 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.401 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.444 1.862 1 O4'-C1'-N19 112.153 5.441 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.471 " H2'" ' N7 ' ' C' ' 123' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.66 3.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . 0.471 ' N7 ' " H2'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.942 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.788 3.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 O4'-C1'-N19 110.805 3.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.034 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -79.96 -69.97 0.55 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.407 -0.808 . . . . 0.0 110.157 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -171.16 136.81 1.09 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.088 -1.007 . . . . 0.0 110.053 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.63 3.23 26.05 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -84.04 152.03 24.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -1.125 . . . . 0.0 110.125 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.552 ' OE1' ' N ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -75.92 -152.09 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 178.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 7' ' ' ASN . 9.7 p-10 -61.9 -65.76 0.64 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.336 -1.477 . . . . 0.0 109.716 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.552 ' N ' ' OE1' ' A' ' 6' ' ' GLN . . . -149.65 169.22 29.86 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -34.11 153.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.23 2.62 . . . . 0.0 112.987 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.1 m -62.12 120.65 11.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.421 -0.799 . . . . 0.0 109.666 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m -143.99 146.97 33.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 0.0 109.731 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -71.42 109.69 5.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.049 -1.032 . . . . 0.0 109.749 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 p -68.66 -7.76 36.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.919 -0.488 . . . . 0.0 109.745 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -98.07 -40.08 8.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.305 -0.872 . . . . 0.0 110.573 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.606 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.8 p -132.1 6.09 4.21 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.967 -1.083 . . . . 0.0 110.53 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 57.11 4.96 0.21 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.9 . . . . 0.0 112.567 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.606 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.8 t -64.22 132.4 50.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.137 -1.602 . . . . 0.0 109.601 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.03 -9.95 22.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.474 -0.766 . . . . 0.0 109.364 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -100.34 118.94 37.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.371 -0.831 . . . . 0.0 109.332 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -165.87 141.21 4.03 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.035 -1.041 . . . . 0.0 110.268 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.79 -17.99 10.66 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.352 2.035 . . . . 0.0 112.811 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 HH12 ' A' ' 24' ' ' ARG . 42.5 tp -150.69 126.17 10.15 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.823 -1.173 . . . . 0.0 109.96 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -88.72 123.68 33.39 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.6 0.714 . . . . 0.0 111.223 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.827 ' NH2' ' N7 ' ' B' ' 105' ' ' ' DG' . 1.7 mmt-85 -107.13 179.63 4.2 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.9 151.9 45.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.24 -0.912 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -88.59 139.57 29.73 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.557 -0.714 . . . . 0.0 109.208 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.53 -13.29 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.938 1.758 . . . . 0.0 112.493 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -94.93 8.29 43.27 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 6.19 88.33 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -86.9 143.59 35.5 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.859 -1.377 . . . . 0.0 108.37 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.1 140.49 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.391 2.06 . . . . 0.0 113.056 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.2 mt -127.1 157.49 39.53 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.3 p -82.4 -156.45 0.17 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.543 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 28.9 p-10 -80.04 -48.21 13.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.625 -1.297 . . . . 0.0 111.942 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -42.57 76.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.542 -1.349 . . . . 0.0 112.692 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.5 m -57.81 -53.95 52.41 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.549 -1.344 . . . . 0.0 110.703 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.69 -41.22 99.56 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.642 HD21 ' NH2' ' A' ' 24' ' ' ARG . 84.6 mt -69.98 -45.64 66.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.148 -1.207 . . . . 0.0 112.819 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 28.3 t80 -79.0 -43.4 24.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.656 -1.277 . . . . 0.0 111.218 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.2 -51.19 70.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.094 -1.004 . . . . 0.0 110.813 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.82 -40.33 97.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.039 -1.038 . . . . 0.0 110.899 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.97 -35.79 74.71 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.195 -0.941 . . . . 0.0 111.028 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.4 m80 -93.65 -31.55 14.42 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.655 -1.278 . . . . 0.0 110.623 -178.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.69 16.82 61.76 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 120.772 -1.205 . . . . 0.0 111.235 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.51 170.04 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.902 -1.352 . . . . 0.0 109.439 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 m -48.97 142.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.828 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -120.7 107.16 38.72 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -46.13 96.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.472 1.448 . . . . 0.0 110.936 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.49 -16.57 25.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.451 -0.78 . . . . 0.0 110.057 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.5 p -61.18 -11.93 10.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.962 -1.086 . . . . 0.0 109.346 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.91 -24.92 40.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 109.499 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -54.07 155.79 3.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.18 -0.95 . . . . 0.0 109.001 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.19 154.03 41.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.174 -0.954 . . . . 0.0 109.49 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -89.33 -2.69 58.53 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -109.11 124.79 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.21 142.72 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.574 -0.704 . . . . 0.0 109.211 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -78.79 123.39 27.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.531 -0.73 . . . . 0.0 110.08 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -86.0 135.52 33.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.402 -0.811 . . . . 0.0 109.4 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -110.19 165.57 11.65 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -95.72 141.68 28.9 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 61' ' ' ARG . 2.2 mmt-85 -97.67 109.03 21.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.689 -1.257 . . . . 0.0 109.84 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -152.05 85.37 1.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.203 -0.936 . . . . 0.0 109.578 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 m -148.63 2.26 0.61 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.087 -1.008 . . . . 0.0 109.817 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.11 123.35 39.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.085 -1.01 . . . . 0.0 108.829 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -70.04 -22.56 63.07 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.177 -0.952 . . . . 0.0 109.336 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.1 p . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.091 179.512 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.855 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.749 0 C3'-C2'-C1' 107.084 3.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 1 O4'-C1'-N19 111.273 4.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 1 O4'-C1'-N19 111.058 4.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.328 3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.49 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.191 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.437 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 1 O4'-C1'-N19 111.443 4.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.023 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.351 0 O4'-C1'-N19 110.922 3.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.924 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.773 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.384 3.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.663 0 O4'-C1'-N19 110.492 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.345 0 O4'-C1'-N19 110.751 3.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.038 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.497 4.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.55 ' P ' HH22 ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.159 4.198 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.001 1 O4'-C1'-N19 111.11 4.137 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C1'-N19 110.637 3.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . 0.548 ' P ' ' ND2' ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.654 1 O4'-C1'-N19 111.53 4.662 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C1'-N19 110.636 3.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 0 O4'-C1'-N19 110.456 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -144.71 -72.03 0.27 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.23 -0.919 . . . . 0.0 109.073 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -61.72 -40.02 93.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 0.0 110.158 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.28 -143.35 32.89 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -149.74 170.14 19.42 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.365 -1.079 . . . . 0.0 109.479 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -53.8 152.0 5.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.133 -0.98 . . . . 0.0 109.531 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -63.05 -40.13 96.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.052 -1.03 . . . . 0.0 109.264 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.95 161.02 32.09 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -39.26 99.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.531 2.154 . . . . 0.0 112.744 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.3 m -60.31 120.17 9.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.177 -0.952 . . . . 0.0 108.799 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -138.59 150.47 46.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.313 -0.867 . . . . 0.0 109.799 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.4 t -76.54 111.3 11.88 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.8 p -68.3 -9.11 45.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.56 -0.713 . . . . 0.0 110.077 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -97.39 -39.65 9.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.442 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.506 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.6 p -131.77 13.07 4.87 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.95 -1.094 . . . . 0.0 111.378 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 59.65 6.53 0.86 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.109 -0.995 . . . . 0.0 112.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.506 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 15.7 m -64.01 121.2 13.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.354 -1.466 . . . . 0.0 110.174 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -99.65 0.11 41.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.562 -0.711 . . . . 0.0 109.36 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -120.05 130.08 54.53 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.565 -0.709 . . . . 0.0 109.229 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.401 ' CB ' HD22 ' A' ' 34' ' ' ASN . 1.5 t -168.37 150.02 4.82 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.97 . . . . 0.0 109.62 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -82.62 -17.58 7.26 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.903 1.735 . . . . 0.0 110.812 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.537 HD23 ' NH2' ' A' ' 24' ' ' ARG . 19.3 tp -150.01 121.64 8.03 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.918 0.866 . . . . 0.0 110.129 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -84.98 123.08 30.12 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.591 0.71 . . . . 0.0 109.446 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.537 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.9 mmt180 -104.97 170.17 8.02 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -137.46 151.25 48.28 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.315 -0.865 . . . . 0.0 109.585 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.2 t30 -89.44 142.75 29.86 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -43.85 -11.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.506 1.471 . . . . 0.0 112.715 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -101.9 4.88 40.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.094 -1.004 . . . . 0.0 109.836 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.0 21.4 57.41 Favored Glycine 0 N--CA 1.493 2.442 0 O-C-N 121.189 -0.944 . . . . 0.0 111.432 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -95.64 112.26 58.44 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 120.795 -1.415 . . . . 0.0 109.555 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -48.91 138.79 26.36 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 121.931 1.754 . . . . 0.0 113.602 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.8 mt -135.48 159.5 41.39 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.432 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.1 p -82.86 -145.9 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.247 -1.533 . . . . 0.0 107.919 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 1.6 p30 -81.53 -63.43 1.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.025 -1.047 . . . . 0.0 110.815 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.175 -0.953 . . . . 0.0 113.377 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 99.3 m -58.71 -53.9 53.15 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.01 -1.681 . . . . 0.0 110.475 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.99 96.71 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.504 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 56.0 mt -68.67 -40.07 80.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.168 -1.195 . . . . 0.0 110.252 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 39.5 t80 -75.73 -50.55 14.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 111.653 -178.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -60.03 -50.4 73.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 110.471 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -59.98 -45.05 93.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.812 -1.18 . . . . 0.0 110.494 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.03 -38.73 75.97 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.998 -1.064 . . . . 0.0 110.714 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 65.6 m80 -86.43 -40.0 15.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.14 17.72 68.3 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 120.77 -1.207 . . . . 0.0 110.914 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.6 m -140.1 171.7 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.088 -1.243 . . . . 0.0 109.237 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 m -44.9 138.82 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.55 HH22 ' P ' ' C' ' 119' ' ' ' DT' . 3.9 ttt-85 -99.72 133.29 21.88 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.43 -0.794 . . . . 0.0 109.032 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.434 ' C ' ' N ' ' A' ' 50' ' ' SER . 55.4 Cg_endo -71.83 81.58 1.34 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.14 1.227 . . . . 0.0 109.908 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.91 -10.11 0.71 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.4 -0.813 . . . . 0.0 108.868 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.434 ' N ' ' C ' ' A' ' 48' ' ' PRO . 37.7 m -58.67 -11.04 2.67 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.95 6.07 34.01 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 42.6 tptt -59.32 130.08 45.19 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.351 -0.843 . . . . 0.0 110.661 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.43 153.68 35.15 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.285 0.564 . . . . 0.0 109.999 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -98.33 -2.95 38.18 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.473 -0.767 . . . . 0.0 108.96 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.23 131.15 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.547 -0.721 . . . . 0.0 109.25 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.9 mt -124.54 137.45 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 CA-C-O 121.431 0.634 . . . . 0.0 109.713 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -70.16 123.51 21.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.377 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -87.62 135.84 33.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.216 -0.928 . . . . 0.0 109.681 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 59' ' ' ARG . 36.6 mtt-85 -105.02 170.7 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.875 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -76.12 -164.51 0.39 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.52 0.676 . . . . 0.0 109.924 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -138.09 153.05 49.31 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.548 ' ND2' ' P ' ' C' ' 123' ' ' ' DG' . 39.5 p-10 -84.6 -7.65 59.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.071 -1.018 . . . . 0.0 109.185 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -63.79 -31.85 73.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.454 -0.779 . . . . 0.0 109.694 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.7 146.54 5.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 109.461 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -83.27 145.72 28.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 0.0 109.112 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.03 -1.044 . . . . 0.0 109.222 179.703 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 0 C3'-C2'-C1' 107.068 3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.861 0 O4'-C1'-N19 110.961 3.952 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 0 C3'-C2'-C1' 106.963 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.427 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.356 4.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.139 1 O4'-C1'-N19 111.55 4.687 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.455 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.713 3.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.834 0 C3'-C2'-C1' 106.835 2.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.122 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.577 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.397 0 O4'-C1'-N19 110.227 3.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 1 O4'-C1'-N19 111.291 4.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.575 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.931 3.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.575 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 111.035 4.044 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 0 O4'-C1'-N19 110.966 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.042 1 O4'-C1'-N19 111.471 4.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.431 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 1 O4'-C1'-N19 111.494 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.199 0 C3'-C2'-C1' 107.12 3.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 1 O4'-C1'-N19 111.545 4.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.042 4.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.434 3.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.81 3.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.184 0.516 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.95 -40.05 87.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 0.0 109.02 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -95.67 177.63 5.73 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.284 -0.885 . . . . 0.0 109.704 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.15 -130.37 50.88 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -59.83 127.42 31.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -1.187 . . . . 0.0 108.498 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -60.05 -52.04 67.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.16 -0.963 . . . . 0.0 110.195 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -88.31 166.68 14.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.822 -1.174 . . . . 0.0 109.347 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.94 161.1 52.05 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.18 -1.58 9.05 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.327 2.018 . . . . 0.0 111.45 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 m -58.94 122.68 14.27 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.533 -0.73 . . . . 0.0 109.756 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.62 147.92 38.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.042 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -70.87 109.96 5.33 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 109.461 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -66.09 -12.5 55.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.866 -0.521 . . . . 0.0 110.395 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.456 ' ND2' HD21 ' A' ' 32' ' ' LEU . 3.7 m-80 -101.06 -35.21 9.43 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.382 -0.824 . . . . 0.0 112.103 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.574 ' SG ' HG22 ' A' ' 17' ' ' THR . 7.4 p -131.64 8.29 4.53 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.613 -1.304 . . . . 0.0 110.511 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 54.77 1.61 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 0.0 112.961 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.574 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.7 t -63.93 130.55 44.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.012 -1.68 . . . . 0.0 109.639 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -100.26 -10.2 21.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -102.54 120.66 40.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.368 -0.833 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 t -163.33 145.17 7.65 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.725 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.67 -20.3 15.7 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.774 1.65 . . . . 0.0 111.244 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.49 HD23 ' NH2' ' A' ' 24' ' ' ARG . 34.2 tp -152.87 130.07 11.21 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.383 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -87.47 124.32 33.31 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.5 mmt180 -105.32 171.97 7.04 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -135.96 150.38 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.312 -0.868 . . . . 0.0 108.956 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 12.9 t30 -91.34 139.49 25.38 Favored Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.49 -11.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.062 1.841 . . . . 0.0 113.052 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.6 mt-10 -99.98 5.64 45.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.939 -1.101 . . . . 0.0 109.663 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 16.1 69.17 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.262 -0.899 . . . . 0.0 111.349 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -93.71 113.49 60.53 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.725 -1.456 . . . . 0.0 108.91 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.9 138.09 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 121.558 1.505 . . . . 0.0 112.952 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD21 ' ND2' ' A' ' 14' ' ' ASN . 66.4 mt -131.5 159.99 36.51 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.1 p -86.59 -141.81 0.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.521 -1.362 . . . . 0.0 108.418 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.506 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 31.7 p-10 -81.99 -69.92 0.58 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.757 -1.214 . . . . 0.0 112.106 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.506 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.92 -32.93 73.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.072 -1.018 . . . . 0.0 113.299 -176.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 m -58.01 -56.4 22.55 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.95 98.41 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.309 -1.117 . . . . 0.0 110.309 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.407 HD13 ' H62' ' C' ' 120' ' ' ' DA' . 55.3 mt -69.22 -39.99 78.25 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.263 -1.139 . . . . 0.0 112.433 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -79.19 -48.85 13.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.676 -1.265 . . . . 0.0 112.27 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.01 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.019 -1.051 . . . . 0.0 109.917 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.78 -42.82 98.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.161 -0.962 . . . . 0.0 110.363 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.3 mt -70.0 -34.82 73.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.065 -1.022 . . . . 0.0 111.224 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.645 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 54.0 m80 -92.13 -39.59 11.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.754 -1.216 . . . . 0.0 110.93 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.41 18.29 69.48 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 120.567 -1.333 . . . . 0.0 111.56 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.4 m -139.21 174.85 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.925 -1.338 . . . . 0.0 109.444 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -43.84 136.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.407 -0.808 . . . . 0.0 109.566 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -119.3 98.44 50.48 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.886 -0.509 . . . . 0.0 109.974 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.05 98.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 121.682 1.588 . . . . 0.0 110.937 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.1 -12.37 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 109.33 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 t -60.02 -11.98 7.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.316 -0.865 . . . . 0.0 109.746 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.5 mt -78.35 -15.06 59.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.078 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -55.28 147.01 17.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.974 -1.079 . . . . 0.0 109.628 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.79 152.61 39.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.406 -0.809 . . . . 0.0 109.484 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -88.46 -8.38 55.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.414 -0.804 . . . . 0.0 109.875 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -110.02 123.97 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.341 -0.85 . . . . 0.0 109.355 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.3 mt -115.75 129.96 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.652 -0.655 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.13 129.96 37.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.31 -0.869 . . . . 0.0 109.587 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 58' ' ' LYS . 13.3 mptt -85.69 129.99 34.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.329 -0.857 . . . . 0.0 109.457 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -97.72 167.44 10.95 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.198 -0.939 . . . . 0.0 109.576 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -75.26 -169.1 0.9 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.967 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -140.09 159.33 42.43 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.54 -0.725 . . . . 0.0 109.498 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 4.9 p30 -149.94 84.48 1.4 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.276 -0.89 . . . . 0.0 108.997 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -79.74 -13.29 59.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.488 -0.758 . . . . 0.0 110.256 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.51 146.44 20.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.092 -1.005 . . . . 0.0 109.302 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -68.33 -16.37 63.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.321 -0.862 . . . . 0.0 110.034 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.638 -179.574 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.207 3.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.535 4.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.236 4.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 110.24 3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.502 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.803 1 O4'-C1'-N19 111.842 5.053 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.611 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.495 4.619 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.912 1 O4'-C1'-N19 111.965 5.206 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.795 3.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.207 4.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.333 4.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.697 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 1 O4'-C1'-N19 111.003 4.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.928 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.55 3.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.486 ' OP2' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.042 4.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.649 ' H62' HD13 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.644 3.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.3 1 O4'-C1'-N19 111.875 5.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.12 0 C3'-C2'-C1' 107.146 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.122 1 O4'-C1'-N19 111.597 4.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.447 4.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.074 4.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.323 0.583 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -78.22 148.28 34.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 109.094 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -155.8 158.79 38.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 109.136 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -54.27 -25.18 32.19 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.563 ' C ' ' O ' ' A' ' 4' ' ' GLY . 81.3 tt0 -0.74 -103.45 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.41 0 C-N-CA 122.949 0.5 . . . . 0.0 112.303 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -79.3 174.45 11.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.504 -1.372 . . . . 0.0 108.96 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -51.48 -40.94 60.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.143 -0.973 . . . . 0.0 110.199 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 10' ' ' THR . . . 132.96 -61.32 0.65 Allowed Glycine 0 N--CA 1.498 2.817 0 C-N-CA 120.297 -0.954 . . . . 0.0 110.918 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -36.46 81.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.92 2.413 . . . . 0.0 112.869 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.564 ' N ' ' O ' ' A' ' 8' ' ' GLY . 51.8 m -64.06 122.75 17.3 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.3 -0.875 . . . . 0.0 109.238 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -145.04 149.3 34.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.411 -0.806 . . . . 0.0 109.266 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.34 111.1 7.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.043 -1.036 . . . . 0.0 108.518 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -67.83 -9.14 42.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.385 -0.822 . . . . 0.0 109.832 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -95.88 -40.96 9.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.319 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.684 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.4 p -131.22 4.0 4.36 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.998 -1.064 . . . . 0.0 111.793 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 57.11 3.63 0.15 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.902 -1.124 . . . . 0.0 112.964 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.684 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -65.14 134.56 54.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.126 -1.609 . . . . 0.0 109.224 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -99.8 -5.41 28.65 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.562 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -103.08 117.25 34.15 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.43 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -161.09 142.73 8.91 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 108.955 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.84 -19.62 9.59 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.827 1.685 . . . . 0.0 112.832 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.582 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.9 tp -154.86 123.71 6.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 0.0 109.548 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.92 127.77 32.65 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.429 0.633 . . . . 0.0 111.043 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 28.5 mmt180 -114.49 178.1 4.4 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -147.49 158.35 43.95 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.001 -1.062 . . . . 0.0 110.17 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.579 ' O ' ' N ' ' A' ' 28' ' ' GLU . 13.2 t30 -85.9 142.83 36.89 Favored Pre-proline 0 N--CA 1.491 1.616 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.95 -8.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.701 1.6 . . . . 0.0 112.03 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.5 mt-10 -98.73 7.17 46.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 109.407 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.18 11.15 79.07 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 121.349 -0.844 . . . . 0.0 111.587 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -87.44 136.9 32.72 Favored Pre-proline 0 N--CA 1.497 1.9 0 O-C-N 120.583 -1.539 . . . . 0.0 108.666 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.04 134.56 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.28 1.987 . . . . 0.0 113.388 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -132.55 161.64 33.31 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.36 -166.23 1.54 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 6.4 m120 -73.29 -42.03 62.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.714 -1.241 . . . . 0.0 111.214 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.1 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.781 -1.199 . . . . 0.0 111.29 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -62.57 -50.35 71.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.684 -1.26 . . . . 0.0 111.113 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.03 72.09 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.637 -1.268 . . . . 0.0 110.424 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.649 HD13 ' H62' ' C' ' 120' ' ' ' DA' . 69.9 mt -66.2 -39.92 90.02 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.013 -1.287 . . . . 0.0 109.954 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 29.9 t80 -72.58 -48.04 43.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.251 -0.906 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.437 HD23 ' OD1' ' A' ' 26' ' ' ASN . 39.2 tp -62.15 -53.04 61.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 111.102 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.845 -1.16 . . . . 0.0 110.641 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.94 -38.22 76.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 110.615 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 77.1 m80 -87.07 -38.95 16.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.748 -1.22 . . . . 0.0 110.518 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.79 10.66 32.8 Favored Glycine 0 N--CA 1.492 2.374 0 O-C-N 120.718 -1.239 . . . . 0.0 111.056 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.7 140.52 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.279 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.94 146.14 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.591 0.71 . . . . 0.0 110.741 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.486 ' NH1' ' OP2' ' C' ' 118' ' ' ' DC' . 26.0 ttm180 -158.33 137.7 8.34 Favored Pre-proline 0 N--CA 1.49 1.551 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -31.22 113.31 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.814 2.343 . . . . 0.0 114.148 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.65 -13.64 59.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -56.7 -11.55 1.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.41 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.86 -30.11 65.1 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -55.04 162.82 1.2 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 153.66 41.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.071 -1.018 . . . . 0.0 109.538 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -88.72 -4.34 58.55 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.326 -0.859 . . . . 0.0 109.033 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.34 129.32 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.0 mt -119.46 130.13 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.37 -0.831 . . . . 0.0 109.846 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -80.64 133.01 35.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.405 -0.809 . . . . 0.0 109.21 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -84.2 129.52 34.89 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 59' ' ' ARG . 53.9 mtt-85 -98.59 169.53 9.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.419 -0.8 . . . . 0.0 109.794 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -72.42 -173.08 1.04 Allowed 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 121.714 0.769 . . . . 0.0 110.385 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -140.01 131.36 26.76 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -85.27 142.08 29.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.158 -0.964 . . . . 0.0 109.127 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.2 t -132.76 140.05 47.86 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.495 -0.753 . . . . 0.0 109.67 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.53 140.35 29.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 0.0 108.801 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.8 p30 -142.28 157.49 44.77 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.153 -0.967 . . . . 0.0 109.227 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.596 -179.625 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.867 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.496 3.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.301 3.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.118 4.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.456 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.443 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.071 1 O4'-C1'-N19 111.494 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.182 1 O4'-C1'-N19 111.154 4.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.463 0 O4'-C1'-N19 110.803 3.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.684 3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.499 0 O4'-C1'-N19 110.809 3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.374 1 O4'-C1'-N19 111.086 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.788 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.404 4.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.535 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.113 4.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.535 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.074 1 O4'-C1'-N19 111.255 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 0 O4'-C1'-N19 110.525 3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 1 O4'-C1'-N19 111.62 4.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.397 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.279 1 O4'-C1'-N19 111.346 4.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.066 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 1 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.423 1 O4'-C1'-N19 111.139 4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 0 O4'-C1'-N19 110.648 3.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.747 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -90.57 118.21 29.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.891 -1.131 . . . . 0.0 108.49 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -97.32 3.48 51.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 109.602 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . 104.57 -72.56 0.25 Allowed Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 4' ' ' GLY . 46.5 mt-10 -38.6 163.38 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.036 0.922 . . . . 0.0 111.373 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -145.93 -92.43 0.09 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -64.1 -64.39 0.9 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.403 -0.81 . . . . 0.0 109.816 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.77 -64.79 0.19 Allowed Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.609 -1.281 . . . . 0.0 110.298 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.95 172.45 15.42 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.799 2.333 . . . . 0.0 113.136 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.9 m -77.09 154.89 32.86 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 m -130.19 135.09 47.79 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.124 -0.985 . . . . 0.0 110.492 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.9 t -80.63 111.4 17.03 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -66.82 -11.59 55.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.516 -0.74 . . . . 0.0 110.054 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -100.21 -37.23 9.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.923 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.678 ' SG ' HG22 ' A' ' 17' ' ' THR . 4.8 p -132.75 7.49 4.09 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.666 -1.271 . . . . 0.0 111.482 -178.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 58.28 -3.71 0.07 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.94 -1.1 . . . . 0.0 112.786 176.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 ' SG ' ' A' ' 15' ' ' CYS . 5.6 t -64.62 133.38 52.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.162 -1.586 . . . . 0.0 110.71 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 27.8 mp0 -104.78 -5.51 21.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.664 -0.648 . . . . 0.0 109.68 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -100.05 114.29 27.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.145 -0.972 . . . . 0.0 109.187 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -165.23 147.83 6.8 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.213 -0.929 . . . . 0.0 109.74 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.92 -17.57 10.74 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.23 1.953 . . . . 0.0 112.408 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.549 HD23 HH21 ' A' ' 24' ' ' ARG . 18.7 tp -155.32 121.02 5.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.17 -0.956 . . . . 0.0 110.53 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -80.95 130.23 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.549 HH21 HD23 ' A' ' 22' ' ' LEU . 27.0 mmt180 -109.46 177.85 4.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.515 -0.741 . . . . 0.0 109.973 -178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -137.84 151.29 47.93 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.379 -0.825 . . . . 0.0 110.006 -179.174 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.5 t-20 -90.58 141.07 26.85 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 109.331 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.99 -11.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.468 1.445 . . . . 0.0 112.167 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.4 mt-10 -97.4 6.95 47.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 0.0 109.283 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.08 9.57 82.1 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.46 -0.775 . . . . 0.0 112.055 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -87.6 146.34 39.15 Favored Pre-proline 0 N--CA 1.497 1.875 0 O-C-N 120.548 -1.56 . . . . 0.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.79 132.34 10.71 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.064 1.842 . . . . 0.0 112.874 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.8 mt -126.27 159.99 31.56 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.5 p -84.48 -142.43 0.08 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.597 -1.314 . . . . 0.0 108.759 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 6.2 p-10 -81.09 -70.39 0.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.554 -1.341 . . . . 0.0 112.104 -178.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.42 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.76 -30.77 71.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.938 -1.101 . . . . 0.0 112.918 -176.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 m -58.61 -56.97 15.31 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.139 -1.601 . . . . 0.0 109.839 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.76 -45.79 95.52 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.452 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 29.4 mt -66.12 -40.01 90.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.225 -1.162 . . . . 0.0 110.933 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.4 t80 -77.82 -49.76 13.66 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.303 -0.873 . . . . 0.0 111.336 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.48 -50.04 74.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.892 -1.13 . . . . 0.0 110.483 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -59.96 -45.17 93.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.068 -1.02 . . . . 0.0 110.733 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.0 -30.9 68.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.126 -0.984 . . . . 0.0 110.258 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.9 m80 -88.97 -38.29 14.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.92 -1.112 . . . . 0.0 110.611 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 10.02 55.29 Favored Glycine 0 N--CA 1.492 2.432 0 O-C-N 120.59 -1.319 . . . . 0.0 111.02 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 m -141.63 146.77 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.888 -1.36 . . . . 0.0 110.097 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.4 m -58.6 145.23 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.3 -0.875 . . . . 0.0 109.067 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.9 tpp180 -149.8 130.85 7.2 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 108.626 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.4 Cg_exo -34.13 116.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 122.09 1.86 . . . . 0.0 113.046 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.84 -7.25 2.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 48' ' ' PRO . 13.9 m -58.57 -17.57 22.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.22 -32.99 69.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.312 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HG2' ' N ' ' A' ' 53' ' ' THR . 24.6 ttpp -57.87 160.51 4.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 108.8 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.506 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -142.94 150.13 39.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.298 -0.876 . . . . 0.0 109.695 178.398 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -83.01 -6.83 59.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.562 -0.711 . . . . 0.0 109.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.73 127.75 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 109.43 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -119.67 131.15 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -81.07 133.17 35.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -82.88 130.33 35.12 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -99.86 169.94 8.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.093 -1.004 . . . . 0.0 109.225 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -81.12 -161.75 0.43 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.881 0.848 . . . . 0.0 111.048 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -136.44 145.85 45.7 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -82.15 123.34 28.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.038 -1.039 . . . . 0.0 109.466 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.1 t -157.78 144.95 18.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.586 -0.696 . . . . 0.0 109.203 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.95 122.26 32.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.192 -0.943 . . . . 0.0 109.854 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -155.75 145.87 21.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.154 -0.966 . . . . 0.0 109.684 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.451 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.406 " O5'" ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 C3'-C2'-C1' 106.854 2.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-N19 110.288 3.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.46 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.876 3.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.44 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.038 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.631 4.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.238 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 C3'-C2'-C1' 107.052 3.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.393 1 O4'-C1'-N19 111.073 4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.149 4.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.731 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.327 0 O4'-C1'-N19 110.669 3.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 0 O4'-C1'-N19 110.453 3.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.513 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.505 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.459 0 O4'-C1'-N19 110.987 3.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 0 O4'-C1'-N19 110.684 3.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.036 1 O4'-C1'-N19 111.422 4.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.423 3.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 1 O4'-C1'-N19 111.343 4.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.597 3.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 tpp . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -60.39 -39.95 89.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.357 -0.839 . . . . 0.0 108.927 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -77.69 142.63 38.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.358 -0.839 . . . . 0.0 109.555 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.58 -76.0 0.34 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 4.9 pm0 -151.01 162.69 40.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.396 -1.061 . . . . 0.0 109.704 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.499 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 26.6 mp0 -59.52 156.48 13.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 108.693 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.38 -42.36 95.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.27 -0.894 . . . . 0.0 109.235 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.0 175.02 30.9 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.19 109.83 1.23 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.473 2.115 . . . . 0.0 111.704 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.6 m -60.28 126.06 26.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.407 -0.808 . . . . 0.0 109.978 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.9 m -146.32 141.19 27.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.515 -0.741 . . . . 0.0 109.113 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.26 109.65 3.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.675 -1.266 . . . . 0.0 109.164 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.7 p -66.25 -10.23 40.1 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.559 -0.713 . . . . 0.0 109.891 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -98.48 -39.82 8.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.852 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.575 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.2 p -131.7 8.03 4.49 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.854 -1.154 . . . . 0.0 111.413 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 54.57 4.33 0.06 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.854 -1.154 . . . . 0.0 112.707 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.575 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -64.51 133.32 52.15 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.078 -1.638 . . . . 0.0 109.98 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -101.54 -8.69 21.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.386 -0.821 . . . . 0.0 109.498 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -101.08 117.92 35.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 109.034 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.6 t -163.2 142.57 6.71 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 120.981 -1.074 . . . . 0.0 110.147 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.78 -20.22 15.56 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.123 1.882 . . . . 0.0 111.524 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.519 HD23 ' NH2' ' A' ' 24' ' ' ARG . 34.6 tp -154.61 125.02 6.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.269 -0.895 . . . . 0.0 110.273 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -83.55 127.48 33.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.732 -0.605 . . . . 0.0 109.587 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.6 mmt180 -107.77 173.82 6.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.437 -0.79 . . . . 0.0 109.691 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -138.11 153.91 49.24 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.7 t-20 -91.84 141.02 25.06 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.361 -0.837 . . . . 0.0 108.983 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.41 -12.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.607 1.538 . . . . 0.0 112.49 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -100.18 6.06 44.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.192 -0.943 . . . . 0.0 109.552 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 21.99 54.34 Favored Glycine 0 N--CA 1.492 2.427 0 O-C-N 121.463 -0.773 . . . . 0.0 111.611 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -96.95 110.61 54.55 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.695 -1.474 . . . . 0.0 109.365 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.16 136.65 30.4 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.116 1.877 . . . . 0.0 113.412 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -134.31 161.12 35.85 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.53 -142.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.562 -1.336 . . . . 0.0 107.987 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 19.6 p-10 -82.01 -69.55 0.61 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.774 -1.204 . . . . 0.0 111.895 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.453 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.39 -36.98 84.0 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.2 m -56.93 -54.32 47.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.952 -1.717 . . . . 0.0 110.066 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.52 -45.12 96.88 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.14 -40.4 82.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.142 -1.211 . . . . 0.0 110.518 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.7 t80 -79.34 -50.96 10.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -0.864 . . . . 0.0 112.296 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.01 -48.8 80.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.129 -0.982 . . . . 0.0 110.126 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -59.94 -46.19 90.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.023 -1.048 . . . . 0.0 109.747 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.95 -33.8 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.247 -0.908 . . . . 0.0 110.851 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.635 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.3 m80 -90.87 -38.55 12.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.622 -1.298 . . . . 0.0 111.192 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.29 9.12 28.41 Favored Glycine 0 N--CA 1.492 2.393 0 O-C-N 120.466 -1.396 . . . . 0.0 110.551 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.13 143.65 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 109.738 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.03 146.09 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.467 -0.77 . . . . 0.0 109.884 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 48' ' ' PRO . 11.3 tpp180 -150.05 133.03 8.37 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.488 ' C ' ' H ' ' A' ' 50' ' ' SER . 31.3 Cg_exo -33.72 108.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.112 1.875 . . . . 0.0 112.974 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.37 -6.94 0.75 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 48' ' ' PRO . 71.0 m -60.9 -11.28 7.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.581 -0.7 . . . . 0.0 110.354 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.99 -30.97 68.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.813 -1.179 . . . . 0.0 108.893 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.9 ttpt -55.83 159.05 3.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 0.0 109.824 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -147.07 154.4 41.13 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.602 0.715 . . . . 0.0 109.642 178.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -85.78 -7.38 58.79 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.9 125.52 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -117.35 131.75 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.554 -0.716 . . . . 0.0 109.929 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -71.02 123.13 21.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -82.46 132.25 35.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.186 -0.946 . . . . 0.0 109.803 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -102.91 169.99 8.25 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -70.06 -175.92 1.04 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.988 0.899 . . . . 0.0 111.404 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -144.9 170.66 15.71 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -143.26 -1.04 1.07 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.051 -1.031 . . . . 0.0 109.027 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.5 p -97.08 4.38 51.37 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.513 -0.742 . . . . 0.0 109.708 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.41 90.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.161 -0.962 . . . . 0.0 110.254 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -119.21 138.35 53.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.518 -0.738 . . . . 0.0 110.01 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.333 179.304 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.79 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.419 3.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 0 O4'-C1'-N19 110.475 3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C1'-N19 110.757 3.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.359 3.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.433 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.987 1 O4'-C1'-N19 111.625 4.782 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.037 1 O4'-C1'-N19 111.468 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.401 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.069 1 O4'-C1'-N19 111.703 4.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.951 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.349 0 O4'-C1'-N19 110.45 3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.456 1 O4'-C1'-N19 111.409 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-N19 111.051 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.137 1 O4'-C1'-N19 111.388 4.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.124 4.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.35 4.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.949 0 O4'-C1'-N19 110.812 3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 0 O4'-C1'-N19 110.836 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.834 1 O4'-C1'-N19 111.043 4.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.782 3.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.943 1 O4'-C1'-N19 111.759 4.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.12 0 C3'-C2'-C1' 107.02 3.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 1 O4'-C1'-N19 111.288 4.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.465 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.173 0.511 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 54.18 22.34 3.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.598 -0.689 . . . . 0.0 109.168 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -156.23 146.88 21.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.277 -0.889 . . . . 0.0 109.606 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.69 42.77 0.02 OUTLIER Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.68 6.63 46.86 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.202 -1.175 . . . . 0.0 109.559 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.91 -163.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.15 -0.968 . . . . 0.0 109.665 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -60.01 -40.21 88.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.205 -0.935 . . . . 0.0 110.343 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.23 146.72 11.49 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.93 163.79 23.02 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.409 2.073 . . . . 0.0 112.175 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -62.5 123.18 17.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.265 -0.897 . . . . 0.0 109.505 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -138.76 152.14 47.68 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.395 -0.816 . . . . 0.0 109.185 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -75.19 111.63 10.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.035 -1.04 . . . . 0.0 109.38 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.7 p -67.63 -9.98 48.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.718 -0.614 . . . . 0.0 109.986 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.529 ' ND2' HD22 ' A' ' 32' ' ' LEU . 33.9 m-20 -98.23 -42.71 7.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.204 -0.935 . . . . 0.0 110.583 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.9 p -126.72 2.33 6.75 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.935 -1.103 . . . . 0.0 111.198 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 57.28 3.43 0.16 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.051 . . . . 0.0 112.688 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 5.8 t -64.55 131.04 45.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.281 -1.512 . . . . 0.0 109.838 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -98.21 -3.91 36.53 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -105.32 115.92 31.07 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t -164.22 143.5 6.11 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -77.16 -17.96 14.67 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.035 1.823 . . . . 0.0 112.897 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.531 HD23 ' NH2' ' A' ' 24' ' ' ARG . 27.7 tp -156.56 125.31 5.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.738 -1.226 . . . . 0.0 110.723 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -81.99 123.89 29.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.531 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.8 mmt180 -105.46 178.32 4.59 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -139.13 152.15 47.24 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.834 -179.146 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.3 t30 -92.42 141.78 25.21 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 109.527 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -43.67 -11.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.011 1.807 . . . . 0.0 112.501 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.6 mt-10 -96.78 6.76 48.05 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.246 -0.909 . . . . 0.0 109.463 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.08 9.23 82.7 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -88.46 148.52 42.44 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 120.62 -1.517 . . . . 0.0 108.689 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.43 137.29 10.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.456 2.104 . . . . 0.0 112.983 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD22 ' ND2' ' A' ' 14' ' ' ASN . 94.1 mt -130.06 160.17 34.53 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.414 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.8 p -83.16 -140.03 0.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.333 -1.48 . . . . 0.0 109.032 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 22.6 p-10 -82.72 -70.64 0.54 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.92 -1.113 . . . . 0.0 112.158 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.58 -35.0 79.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.914 -1.116 . . . . 0.0 113.212 -177.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.1 m -56.99 -55.71 31.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.221 -1.549 . . . . 0.0 110.113 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.6 -44.17 97.94 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.022 -1.085 . . . . 0.0 110.633 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.454 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 43.4 mt -66.75 -39.98 88.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.093 -1.239 . . . . 0.0 111.203 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.633 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 45.2 t80 -72.63 -49.21 33.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.291 -0.881 . . . . 0.0 111.195 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.59 -49.77 76.21 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.402 -0.811 . . . . 0.0 110.823 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.99 -46.41 89.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.963 -1.085 . . . . 0.0 109.665 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.91 -37.44 75.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.598 -0.689 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.633 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 65.8 m80 -88.03 -41.07 13.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.634 -1.291 . . . . 0.0 110.494 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.9 7.63 37.33 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.652 -1.28 . . . . 0.0 110.154 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.86 142.8 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.246 -1.15 . . . . 0.0 109.951 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -59.21 139.29 19.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.397 -0.814 . . . . 0.0 108.999 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -147.31 130.52 8.09 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -36.4 116.04 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 122.113 1.875 . . . . 0.0 113.002 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.64 -6.43 7.73 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.6 t -57.05 -15.35 5.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.89 -37.96 64.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.186 -0.946 . . . . 0.0 109.318 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 53' ' ' THR . 29.8 tttp -56.42 167.05 0.75 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.063 -1.023 . . . . 0.0 109.347 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.43 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -148.01 155.75 41.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.348 -0.845 . . . . 0.0 109.584 178.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.87 -0.18 57.13 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.81 127.47 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -124.91 136.3 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -86.77 138.87 31.26 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.357 -0.839 . . . . 0.0 108.795 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -84.32 135.74 34.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' A' ' 59' ' ' ARG . 5.4 mmt-85 -100.65 166.77 10.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.876 . . . . 0.0 109.437 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -73.0 -168.82 0.52 Allowed 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.689 0.757 . . . . 0.0 110.088 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 61' ' ' ARG . 27.7 mtt-85 -145.97 160.24 42.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.561 -0.712 . . . . 0.0 109.111 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -147.47 65.43 1.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.137 -0.977 . . . . 0.0 109.099 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -160.03 163.64 33.84 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 0.0 109.269 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.96 142.35 49.41 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -148.97 151.69 35.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.116 -0.99 . . . . 0.0 109.255 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.288 -179.517 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 C3'-C2'-C1' 107.117 3.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.177 2.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.646 0 O4'-C1'-N19 110.674 3.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.574 3.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.51 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.236 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.463 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.439 4.548 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 1 O4'-C1'-N19 111.293 4.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.263 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.913 1 O4'-C1'-N19 111.293 4.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.925 0 O4'-C1'-N19 110.316 3.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.607 3.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.149 0 O4'-C1'-N19 110.851 3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.53 4.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.65 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.084 1 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.787 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.472 4.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.492 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.784 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.135 1 O4'-C1'-N19 111.507 4.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.462 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.879 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 1.633 1 O4'-C1'-N19 111.443 4.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.357 3.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.007 1 O4'-C1'-N19 111.463 4.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.449 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 2' ' ' LYS . 5.2 mpp? . . . . . 0 N--CA 1.494 1.769 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 1' ' ' MET . 28.3 ttmt 57.16 108.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.238 -0.914 . . . . 0.0 109.577 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.458 ' C ' ' H ' ' A' ' 5' ' ' GLU . 95.1 m-20 -60.22 134.74 57.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.114 -0.991 . . . . 0.0 109.618 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.88 29.06 1.57 Allowed Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 3' ' ' ASN . 70.0 mm-40 -139.93 160.84 39.0 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.413 -1.051 . . . . 0.0 108.597 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -49.97 145.37 5.7 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.044 -1.035 . . . . 0.0 110.282 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -67.38 -39.78 85.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.523 -0.735 . . . . 0.0 109.093 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.36 164.05 27.37 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.74 103.97 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.402 2.068 . . . . 0.0 110.555 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.7 m -65.29 115.21 5.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.354 -0.842 . . . . 0.0 110.458 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.3 m -144.84 148.47 34.02 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.5 t -76.03 110.72 10.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.144 -0.972 . . . . 0.0 109.389 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.6 p -66.9 -11.12 55.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.683 -0.635 . . . . 0.0 110.492 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -98.07 -38.67 9.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.359 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.701 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.2 p -132.71 4.63 3.91 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 55.73 6.61 0.21 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 112.472 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.701 HG22 ' SG ' ' A' ' 15' ' ' CYS . 15.0 t -66.12 130.35 42.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 119.985 -1.697 . . . . 0.0 109.697 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.97 -4.44 30.08 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -105.47 115.44 30.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.496 -0.753 . . . . 0.0 109.259 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -165.46 147.82 6.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -78.7 -18.19 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.115 1.876 . . . . 0.0 112.665 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD23 ' NH2' ' A' ' 24' ' ' ARG . 26.1 tp -152.76 125.03 8.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.12 -0.988 . . . . 0.0 110.289 -178.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -86.51 127.78 34.91 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 121.417 0.627 . . . . 0.0 109.53 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 30.5 mmt180 -109.41 176.93 4.9 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.484 HH11 ' HG2' ' A' ' 25' ' ' ARG . 13.9 ptt-85 -136.53 153.19 51.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.407 -0.808 . . . . 0.0 110.039 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.6 t-20 -88.96 138.86 29.05 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.031 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.78 -11.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.564 1.51 . . . . 0.0 111.718 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.7 mt-10 -101.1 5.62 42.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.33 -0.857 . . . . 0.0 109.395 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 12.64 70.82 Favored Glycine 0 N--CA 1.491 2.356 0 O-C-N 121.52 -0.737 . . . . 0.0 111.877 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -93.55 114.6 63.37 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 120.381 -1.658 . . . . 0.0 109.195 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.08 141.4 22.82 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.461 2.107 . . . . 0.0 114.3 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD11 HD22 ' A' ' 26' ' ' ASN . 95.5 mt -134.57 159.9 39.76 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.4 p -85.93 -148.06 0.12 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.48 -1.387 . . . . 0.0 108.149 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 14.4 p-10 -77.12 -67.45 0.71 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.009 -1.057 . . . . 0.0 111.906 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.21 -37.6 87.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 0.0 113.241 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.46 -55.67 32.08 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 119.884 -1.76 . . . . 0.0 110.271 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.2 96.55 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.371 -1.091 . . . . 0.0 110.371 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.463 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 81.1 mt -67.44 -40.26 85.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.43 -1.041 . . . . 0.0 110.067 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 59.3 t80 -75.8 -46.35 31.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.497 -0.752 . . . . 0.0 111.61 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.57 -50.15 70.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.12 -45.54 92.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 0.0 110.342 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.51 -33.25 69.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.065 -1.022 . . . . 0.0 111.955 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.641 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 50.0 m80 -91.8 -38.49 12.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.563 -1.335 . . . . 0.0 111.521 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.08 5.12 25.17 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.637 -1.289 . . . . 0.0 111.281 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.3 141.43 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.121 -1.223 . . . . 0.0 109.596 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -55.87 144.67 7.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 CA-C-O 121.402 0.62 . . . . 0.0 110.03 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.2 tpt180 -150.71 129.19 6.04 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.5 Cg_exo -31.29 108.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.164 1.909 . . . . 0.0 113.337 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.07 -12.94 9.46 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -60.0 -9.99 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.63 -37.15 73.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.968 -1.082 . . . . 0.0 109.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HG2' ' H ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -54.06 166.65 0.35 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.441 ' H ' ' HG2' ' A' ' 52' ' ' LYS . 5.7 t -148.15 155.86 41.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.863 -1.148 . . . . 0.0 110.109 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -85.99 -0.8 56.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.6 -0.688 . . . . 0.0 110.199 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 55' ' ' VAL . 6.2 p -118.58 129.6 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.303 -0.873 . . . . 0.0 108.889 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -121.04 135.23 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.65 129.89 35.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -0.861 . . . . 0.0 109.609 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -82.69 130.52 35.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.977 -1.077 . . . . 0.0 108.353 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -104.04 170.6 7.82 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.338 -0.851 . . . . 0.0 109.527 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -74.67 -161.54 0.13 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.824 0.821 . . . . 0.0 110.382 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -150.82 153.66 35.82 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -87.55 139.82 30.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.079 -1.013 . . . . 0.0 108.573 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.0 m -81.29 133.16 35.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.99 -1.069 . . . . 0.0 109.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.15 128.66 35.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.148 -0.97 . . . . 0.0 108.8 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.21 -43.13 92.55 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.438 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.525 179.705 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.704 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.623 0 O4'-C1'-N19 110.249 3.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.043 4.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.401 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.134 1 O4'-C1'-N19 111.451 4.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.515 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.287 4.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.064 1 O4'-C1'-N19 112.099 5.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.424 0 O4'-C1'-N19 110.777 3.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.482 1 O4'-C1'-N19 111.191 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.228 1 O4'-C1'-N19 111.413 4.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.374 1 O4'-C1'-N19 111.295 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O4'-C1'-N19 110.991 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.15 0 O4'-C1'-N19 110.489 3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 0 O4'-C1'-N19 110.718 3.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.055 0 O4'-C1'-N19 110.416 3.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.488 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.924 3.905 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.525 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.53 2.435 0 O4'-C1'-N19 110.546 3.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 1.701 0 O4'-C1'-N19 110.938 3.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 0 O4'-C1'-N19 110.454 3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O4'-C1'-N19 110.87 3.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.863 3.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 0 O4'-C1'-N19 110.434 3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.463 3.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.2 mmm . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.303 0.573 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -97.35 129.04 44.65 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -67.79 -53.68 25.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.198 -0.938 . . . . 0.0 110.335 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.97 87.89 0.01 OUTLIER Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.47 143.23 55.08 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.991 -1.299 . . . . 0.0 109.633 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -78.82 -105.55 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -63.99 -60.16 3.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -0.866 . . . . 0.0 108.941 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.65 -76.99 0.28 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.55 120.56 6.25 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.2 m -53.82 122.14 9.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.339 -0.85 . . . . 0.0 109.286 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.8 m -131.4 141.44 49.86 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.637 0.732 . . . . 0.0 110.194 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.2 t -71.74 112.53 7.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.52 -0.738 . . . . 0.0 109.041 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -68.61 -9.72 51.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.714 -0.616 . . . . 0.0 109.993 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.502 ' ND2' HD22 ' A' ' 32' ' ' LEU . 74.6 m-20 -97.33 -39.1 9.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 0.0 110.169 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.58 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.2 p -132.1 9.11 4.44 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.854 -1.154 . . . . 0.0 111.439 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 55.85 0.85 0.05 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.626 -1.296 . . . . 0.0 112.509 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.58 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.1 t -63.32 128.32 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 119.985 -1.697 . . . . 0.0 108.719 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -100.46 -8.88 22.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.655 -0.653 . . . . 0.0 109.245 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -99.85 119.6 38.45 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 t -162.22 145.42 8.98 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -84.2 -15.82 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.4 2.067 . . . . 0.0 111.497 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD23 ' NH2' ' A' ' 24' ' ' ARG . 21.6 tp -151.89 123.18 7.73 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.85 0.833 . . . . 0.0 109.942 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -87.21 127.06 35.16 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.571 0.7 . . . . 0.0 110.295 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.541 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.9 mmt180 -107.48 175.83 5.36 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -140.18 151.16 45.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.066 -1.021 . . . . 0.0 109.441 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLU . 26.4 t30 -92.03 140.76 24.75 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.296 -0.878 . . . . 0.0 109.093 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.64 1.56 . . . . 0.0 112.623 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' ASN . 92.9 mt-10 -98.55 3.85 48.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.107 -0.996 . . . . 0.0 109.068 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.69 12.9 71.11 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -92.14 138.21 24.59 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.77 -1.429 . . . . 0.0 108.339 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.76 137.29 19.89 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.982 1.788 . . . . 0.0 112.327 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 ' ND2' ' A' ' 14' ' ' ASN . 88.6 mt -128.37 159.98 33.65 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -83.01 -159.74 0.36 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.525 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 37.5 p-10 -79.39 -43.26 23.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.797 -1.189 . . . . 0.0 110.976 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' C ' HH12 ' A' ' 47' ' ' ARG . . . -67.29 -50.11 61.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.04 -1.038 . . . . 0.0 112.028 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' HA ' HH11 ' A' ' 47' ' ' ARG . 98.6 m -59.74 -53.96 51.91 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.678 -1.263 . . . . 0.0 110.293 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.43 -46.9 92.44 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.784 -1.327 . . . . 0.0 109.784 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.515 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 79.5 mt -68.84 -41.01 79.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.974 -1.309 . . . . 0.0 110.703 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.6 t80 -80.31 -48.33 13.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.231 -0.918 . . . . 0.0 111.578 -178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.17 -48.18 82.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.305 -0.872 . . . . 0.0 109.853 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -59.96 -45.93 91.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.816 -1.178 . . . . 0.0 110.305 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.97 -31.02 68.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.422 -0.799 . . . . 0.0 110.64 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.5 m80 -92.54 -34.83 13.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.86 -1.15 . . . . 0.0 111.149 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.71 15.43 54.23 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 120.669 -1.269 . . . . 0.0 111.024 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.69 170.41 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.061 -1.258 . . . . 0.0 109.47 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.6 m -49.39 143.3 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.182 -0.949 . . . . 0.0 110.431 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.538 HH12 ' C ' ' A' ' 35' ' ' ALA . 40.8 ttt180 -112.13 132.96 21.81 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -66.14 88.21 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 120.794 0.996 . . . . 0.0 110.438 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 51' ' ' LEU . 47.8 mt -57.36 -10.42 1.36 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.329 -0.857 . . . . 0.0 109.112 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 52' ' ' LYS . 77.4 p -59.53 -10.02 3.04 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 49' ' ' LEU . 94.4 mt -78.99 16.5 0.9 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -60.66 121.16 11.52 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.497 0.665 . . . . 0.0 110.484 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 t -145.27 142.66 29.68 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.855 0.836 . . . . 0.0 110.08 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -93.03 0.01 57.25 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -114.43 129.97 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.56 -0.713 . . . . 0.0 109.916 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.41 133.23 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -68.78 124.82 24.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.194 -0.941 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -88.3 133.92 33.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -101.42 169.32 8.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.321 -0.862 . . . . 0.0 108.941 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -76.22 -168.15 0.89 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.474 -0.766 . . . . 0.0 110.898 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -141.84 146.48 35.89 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -82.11 149.97 27.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.397 -0.815 . . . . 0.0 109.028 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.5 m -60.32 138.11 58.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.939 -1.101 . . . . 0.0 109.936 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.64 160.03 25.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.215 -0.928 . . . . 0.0 109.864 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -130.73 145.3 51.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.594 -0.691 . . . . 0.0 109.471 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.486 179.803 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.466 0 C3'-C2'-C1' 106.992 3.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 1 O4'-C1'-N19 111.339 4.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.126 2.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.45 ' O6 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.485 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.085 1 O4'-C1'-N19 111.285 4.356 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.305 1 O4'-C1'-N19 111.948 5.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.091 4.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.856 3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 O4'-C1'-N19 110.966 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.18 4.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.711 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.504 3.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 O4'-C1'-N19 110.561 3.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.421 0 O4'-C1'-N19 110.466 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.516 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.53 2.351 1 O4'-C1'-N19 111.084 4.106 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.451 4.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.544 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.642 3.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.45 ' C4 ' ' O6 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 2.002 1 O4'-C1'-N19 111.297 4.371 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.209 0 C3'-C2'-C1' 107.197 3.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.27 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.987 0 O4'-C1'-N19 110.331 3.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 1 O4'-C1'-N19 111.219 4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 mtt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.118 0.485 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -60.08 -35.78 75.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.242 -0.912 . . . . 0.0 109.458 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.415 ' HA ' HD21 ' A' ' 3' ' ' ASN . 9.7 m120 -104.77 19.22 20.86 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.36 -122.3 17.74 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -134.7 105.31 6.41 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.437 -1.037 . . . . 0.0 109.117 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -90.05 -79.97 0.33 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.229 -0.92 . . . . 0.0 109.396 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -141.13 -134.39 0.1 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.054 -1.029 . . . . 0.0 109.394 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 10' ' ' THR . . . -137.51 74.22 0.41 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.58 66.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.76 0 C-N-CA 123.491 2.794 . . . . 0.0 113.66 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 8' ' ' GLY . 99.4 m -61.87 120.0 9.89 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.891 -1.131 . . . . 0.0 108.864 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -141.03 147.77 39.17 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.498 -0.751 . . . . 0.0 109.141 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.1 t -73.63 112.82 10.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.047 -1.033 . . . . 0.0 109.709 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -67.83 -11.77 59.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.829 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.584 ' ND2' HD22 ' A' ' 32' ' ' LEU . 53.0 m-20 -97.07 -40.04 9.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 110.282 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.6 p -131.64 5.55 4.32 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.826 -1.171 . . . . 0.0 111.667 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 58.04 1.28 0.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.819 -1.176 . . . . 0.0 112.589 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.564 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -63.5 131.51 48.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.185 -1.572 . . . . 0.0 109.606 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -102.3 -7.95 21.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.582 -0.699 . . . . 0.0 109.413 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.3 m -104.1 120.78 41.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.401 -0.812 . . . . 0.0 109.072 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.02 150.34 8.41 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.218 -0.926 . . . . 0.0 109.544 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.93 -17.56 10.73 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.886 1.724 . . . . 0.0 111.854 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.517 HD23 ' NH2' ' A' ' 24' ' ' ARG . 41.0 tp -156.22 126.97 6.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.227 -0.92 . . . . 0.0 110.238 -178.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -85.23 129.18 34.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.758 -0.589 . . . . 0.0 109.697 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.517 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.7 mmt180 -108.23 176.38 5.15 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.537 ' CD ' ' N ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -140.1 151.23 45.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.389 -0.82 . . . . 0.0 109.05 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.562 ' O ' ' N ' ' A' ' 28' ' ' GLU . 30.5 t30 -88.96 141.01 29.25 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.271 -0.893 . . . . 0.0 109.158 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -44.38 -10.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.735 1.623 . . . . 0.0 112.032 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.7 mm-40 -97.49 5.81 49.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.197 -0.94 . . . . 0.0 109.073 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ASN . . . 82.9 15.59 72.31 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -91.97 138.95 24.45 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 120.734 -1.45 . . . . 0.0 108.489 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.0 131.03 15.04 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.922 1.748 . . . . 0.0 112.878 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.1 mt -126.62 158.73 35.55 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -82.11 -144.58 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.426 -1.421 . . . . 0.0 108.818 178.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.683 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 3.6 p-10 -80.98 -66.2 0.92 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.835 -1.166 . . . . 0.0 111.857 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.683 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.58 -36.94 85.85 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.23 -55.55 33.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.033 -1.667 . . . . 0.0 110.311 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.28 96.1 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 35.6 mt -68.07 -40.02 82.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.03 -1.276 . . . . 0.0 109.806 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 71.9 t80 -74.2 -52.17 13.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.477 -0.765 . . . . 0.0 111.407 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 tp -60.88 -50.36 73.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.951 -1.093 . . . . 0.0 110.268 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.3 -48.29 82.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.857 -1.152 . . . . 0.0 110.945 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.15 -32.37 70.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.026 -1.047 . . . . 0.0 110.768 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 77.9 m80 -90.96 -39.01 12.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.551 -1.343 . . . . 0.0 110.427 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.98 10.08 31.19 Favored Glycine 0 N--CA 1.491 2.35 0 O-C-N 120.857 -1.152 . . . . 0.0 111.644 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.63 141.57 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.908 -1.348 . . . . 0.0 110.201 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.24 140.64 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 109.822 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -151.75 131.24 6.76 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ARG . 30.0 Cg_exo -33.52 112.97 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.228 0 C-N-CA 122.034 1.823 . . . . 0.0 112.788 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.77 -7.93 2.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.2 p -60.03 -12.37 7.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.388 -0.82 . . . . 0.0 109.858 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.023 -1.048 . . . . 0.0 108.561 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -57.45 162.73 2.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 108.693 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.93 151.34 38.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.109 -0.994 . . . . 0.0 109.608 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -88.5 -3.44 58.81 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.5 t -111.99 130.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -122.09 134.93 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.603 -0.686 . . . . 0.0 110.355 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -80.3 134.02 36.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.87 . . . . 0.0 108.705 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.89 127.52 32.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.15 -0.969 . . . . 0.0 109.038 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -99.45 166.54 11.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.433 -0.792 . . . . 0.0 108.966 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -77.54 -165.51 0.62 Allowed 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 122.144 0.973 . . . . 0.0 110.69 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -144.09 166.8 23.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -81.26 165.07 21.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.128 -0.983 . . . . 0.0 109.718 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -81.91 124.18 29.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.58 -7.21 59.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 108.869 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -59.99 -40.09 87.95 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.517 -0.739 . . . . 0.0 110.171 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.491 1.595 0 O-C-N 120.834 -1.166 . . . . 0.0 109.085 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.511 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 C3'-C2'-C1' 107.137 3.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . 0.426 ' OP2' HD11 ' A' ' 22' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.216 0 O4'-C1'-N19 110.534 3.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.478 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.068 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.509 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.255 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.21 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.671 0 O4'-C1'-N19 110.896 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.96 3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.388 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.29 4.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.931 3.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.654 1 O4'-C1'-N19 111.146 4.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.42 1 O4'-C1'-N19 111.15 4.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.178 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.506 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.28 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.298 1 O4'-C1'-N19 111.301 4.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 1 O4'-C1'-N19 111.063 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.277 1 O4'-C1'-N19 111.595 4.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 O4'-C1'-N19 110.623 3.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.545 3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 4' ' ' GLY . 12.8 ttmm -114.57 141.73 47.36 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.558 -0.714 . . . . 0.0 109.196 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 6' ' ' GLN . 43.0 p-10 -65.04 -11.63 41.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.287 -0.883 . . . . 0.0 110.645 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.557 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . 87.64 -163.86 34.05 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.557 ' C ' ' O ' ' A' ' 4' ' ' GLY . 99.8 mt-10 1.89 -87.66 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.478 0 C-N-CA 122.992 0.517 . . . . 0.0 112.098 -178.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 4' ' ' GLY . 3.2 mp0 -59.62 138.93 57.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.692 -1.255 . . . . 0.0 109.431 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -69.73 -40.69 76.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.101 -1.0 . . . . 0.0 109.826 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.01 174.35 18.72 Favored Glycine 0 N--CA 1.497 2.704 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -58.15 121.06 9.36 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.495 2.13 . . . . 0.0 111.789 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m -62.07 121.15 12.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.292 -0.88 . . . . 0.0 110.187 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -144.44 141.6 29.73 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.5 t -66.71 107.53 2.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.95 -1.094 . . . . 0.0 109.464 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -67.96 -10.48 53.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.529 -0.732 . . . . 0.0 109.508 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' ND2' HD22 ' A' ' 32' ' ' LEU . 50.5 m-20 -96.18 -37.98 10.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.93 . . . . 0.0 110.503 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.37 10.05 3.76 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.799 -1.188 . . . . 0.0 110.942 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 58.39 6.06 0.51 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.37 -0.831 . . . . 0.0 113.125 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -60.9 124.83 21.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.053 -1.654 . . . . 0.0 109.595 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -99.02 -0.65 41.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.539 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -117.86 126.51 52.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.466 -0.771 . . . . 0.0 109.731 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.531 ' CB ' HD21 ' A' ' 34' ' ' ASN . 3.4 t -165.8 147.84 6.27 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.729 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.98 -18.04 10.4 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.845 1.697 . . . . 0.0 110.973 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD23 ' NH2' ' A' ' 24' ' ' ARG . 50.2 tp -151.6 126.01 9.42 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.43 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.405 ' CE2' ' CG2' ' A' ' 20' ' ' THR . 78.3 m95 -86.82 125.86 34.25 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.871 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.5 mmt180 -105.45 170.11 8.07 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -133.75 150.21 51.48 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.425 -0.797 . . . . 0.0 109.828 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.3 t30 -93.06 141.72 24.44 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 109.573 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -45.27 -11.09 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.766 1.644 . . . . 0.0 112.149 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.7 mt-10 -97.2 5.08 50.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 109.301 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.33 12.53 80.44 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -91.91 143.18 27.36 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.815 -1.403 . . . . 0.0 108.721 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.08 139.64 21.79 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.638 1.558 . . . . 0.0 112.756 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.8 mt -129.17 157.78 40.84 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.2 p -82.1 -144.39 0.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.246 -1.534 . . . . 0.0 107.967 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.531 HD21 ' CB ' ' A' ' 20' ' ' THR . 1.1 p30 -81.52 -65.39 1.02 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.872 -1.143 . . . . 0.0 111.026 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.17 89.62 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.4 m -58.47 -56.01 27.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 119.997 -1.689 . . . . 0.0 109.946 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.36 -46.78 93.7 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 70.2 mt -66.65 -41.2 88.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -1.127 . . . . 0.0 111.241 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 63.7 t80 -77.79 -50.11 12.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 111.314 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.24 -50.09 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.102 -0.999 . . . . 0.0 110.089 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.91 -45.47 92.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.203 -0.935 . . . . 0.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.95 -30.38 67.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.087 -1.008 . . . . 0.0 111.09 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 58.2 m80 -92.86 -38.72 11.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.591 -1.318 . . . . 0.0 110.921 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.15 15.99 61.6 Favored Glycine 0 N--CA 1.492 2.419 0 O-C-N 120.678 -1.264 . . . . 0.0 111.441 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -138.41 151.3 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.853 -1.381 . . . . 0.0 110.175 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.33 150.93 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 109.191 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 2.5 tpm_? -160.53 127.81 2.66 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 109.274 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -38.4 110.85 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.216 1.944 . . . . 0.0 113.782 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 51' ' ' LEU . 96.1 mt -62.0 -10.0 8.66 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.6 m -54.8 -9.14 0.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.461 -0.774 . . . . 0.0 109.118 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.6 mt -78.42 -24.58 46.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.824 . . . . 0.0 109.474 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 11.5 tmtt? -52.63 150.84 4.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 109.082 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.54 149.57 36.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 109.868 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 91.1 m-20 -89.27 -7.31 55.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.529 -0.732 . . . . 0.0 109.172 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.2 t -110.01 128.41 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.2 mt -120.38 137.17 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-O 121.314 0.578 . . . . 0.0 109.509 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 57' ' ' LYS . 7.3 ttpm? -82.28 131.67 35.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.383 -0.823 . . . . 0.0 109.288 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -86.25 131.24 34.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.405 -0.81 . . . . 0.0 109.827 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 59' ' ' ARG . 52.4 mtt-85 -100.64 170.5 8.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.158 -0.964 . . . . 0.0 108.93 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -77.66 -164.52 0.51 Allowed 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 110.296 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -143.09 125.97 16.15 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -89.42 107.07 18.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.067 -1.02 . . . . 0.0 109.783 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 t -73.31 -46.39 49.82 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' A' ' 65' ' ' ASN . . . -166.55 -12.77 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.594 -0.691 . . . . 0.0 109.261 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.401 ' H ' ' H ' ' A' ' 64' ' ' ALA . 97.6 m-20 -77.06 152.06 35.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.721 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.401 179.788 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.465 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.433 0 C3'-C2'-C1' 107.063 3.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 1 O4'-C1'-N19 111.266 4.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 0 O4'-C1'-N19 110.856 3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.555 3.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.476 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.906 3.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.452 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.257 4.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.388 1 O4'-C1'-N19 111.478 4.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.872 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.495 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.888 1 O4'-C1'-N19 111.163 4.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.341 3.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 1 O4'-C1'-N19 111.13 4.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.147 4.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.798 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.383 1 O4'-C1'-N19 111.202 4.252 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.462 3.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.289 1 O4'-C1'-N19 111.026 4.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.241 1 O4'-C1'-N19 111.165 4.207 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.438 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.97 1 O4'-C1'-N19 111.104 4.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 0 C3'-C2'-C1' 107.039 3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.351 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.569 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptp . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.216 0.531 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -61.86 -32.92 73.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.241 -0.912 . . . . 0.0 109.186 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.91 -40.04 87.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.905 -1.122 . . . . 0.0 108.61 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.39 96.09 0.18 Allowed Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.23 -40.02 88.72 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.334 -1.098 . . . . 0.0 108.582 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -49.62 -53.6 23.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.609 -0.682 . . . . 0.0 109.746 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -63.08 -162.61 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.74 -1.225 . . . . 0.0 108.655 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.6 161.97 10.12 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.65 22.76 0.39 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.548 2.165 . . . . 0.0 112.193 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.4 m -59.74 121.13 10.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.12 -0.987 . . . . 0.0 109.964 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.3 m -142.8 140.32 31.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.465 -0.772 . . . . 0.0 109.176 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -67.49 110.99 3.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.217 -0.927 . . . . 0.0 109.452 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -67.14 -10.87 54.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.612 -0.68 . . . . 0.0 110.264 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -98.42 -38.57 9.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.153 -0.967 . . . . 0.0 110.877 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 7.3 p -134.54 0.97 3.07 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.866 -1.146 . . . . 0.0 111.59 -177.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 52.82 48.89 21.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.81 -1.181 . . . . 0.0 110.519 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.457 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 1.2 m -84.05 109.94 18.07 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.588 -0.695 . . . . 0.0 109.311 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -88.29 0.73 55.81 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.288 -1.507 . . . . 0.0 109.831 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.6 m -126.08 117.84 24.03 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.611 ' CB ' HD21 ' A' ' 34' ' ' ASN . 3.5 t -160.96 144.73 10.0 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.176 -0.953 . . . . 0.0 109.731 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.43 -17.12 10.33 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.727 1.618 . . . . 0.0 112.01 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 ' NH2' ' A' ' 24' ' ' ARG . 28.8 tp -155.23 122.86 5.66 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.138 -0.976 . . . . 0.0 110.467 -179.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -82.62 127.88 33.8 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.337 0.589 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.9 mmt180 -109.18 178.47 4.44 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.75 157.87 44.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.851 -1.155 . . . . 0.0 110.045 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.4 t-20 -88.41 140.63 30.21 Favored Pre-proline 0 N--CA 1.493 1.682 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -49.16 -7.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 CA-C-N 119.954 1.019 . . . . 0.0 111.045 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -97.56 9.1 43.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.417 -0.802 . . . . 0.0 109.272 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 6.19 86.69 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 121.218 -0.926 . . . . 0.0 112.007 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 3.0 mp0 -89.44 147.69 38.66 Favored Pre-proline 0 N--CA 1.498 1.97 0 O-C-N 120.512 -1.581 . . . . 0.0 108.504 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.67 143.18 18.64 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.374 2.049 . . . . 0.0 113.733 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -134.22 160.5 37.68 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.4 p -84.5 -141.46 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.306 -1.496 . . . . 0.0 108.549 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.611 HD21 ' CB ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -80.96 -70.17 0.55 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.038 -1.039 . . . . 0.0 111.666 -179.069 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.95 71.71 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.5 m -57.29 -56.42 22.07 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 119.905 -1.747 . . . . 0.0 110.309 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.82 -46.05 94.95 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.45 -43.32 85.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.008 -1.29 . . . . 0.0 110.292 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 82.6 t80 -70.45 -52.44 22.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 0.0 111.97 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.21 -49.97 75.53 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.398 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -60.92 -45.61 93.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.142 -0.974 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.09 -35.69 74.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 111.387 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 80.3 m80 -91.75 -36.79 13.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.687 -1.258 . . . . 0.0 110.879 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.73 15.12 57.26 Favored Glycine 0 N--CA 1.493 2.492 0 O-C-N 120.908 -1.12 . . . . 0.0 112.002 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 m -141.31 142.63 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 CA-C-N 119.186 1.493 . . . . 0.0 110.434 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.08 140.64 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.259 0.552 . . . . 0.0 110.544 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.553 HH11 ' HG2' ' A' ' 47' ' ' ARG . 4.0 ttt-85 -156.07 136.99 9.17 Favored Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -34.42 110.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.299 2.0 . . . . 0.0 114.034 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 51' ' ' LEU . 88.9 mt -61.24 -12.42 13.08 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -55.7 -7.53 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.795 . . . . 0.0 109.313 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 49' ' ' LEU . 86.3 mt -69.93 -27.52 64.83 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 53' ' ' THR . 59.9 tttt -55.02 159.01 2.57 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.872 0.844 . . . . 0.0 109.651 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.53 155.63 40.65 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.387 0.613 . . . . 0.0 109.514 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -85.76 -8.06 58.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 0.0 108.696 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.3 t -109.21 122.91 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.21 132.09 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.659 -0.651 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -67.91 119.02 11.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.14 -0.975 . . . . 0.0 109.184 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.67 129.59 34.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.856 . . . . 0.0 108.916 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -100.99 165.65 11.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.246 -0.909 . . . . 0.0 109.384 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -72.38 -170.81 0.69 Allowed 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.67 0.747 . . . . 0.0 110.422 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.479 HH11 ' HG2' ' A' ' 61' ' ' ARG . 33.5 mtt-85 -142.18 155.46 45.29 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -151.55 107.54 3.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.009 -1.057 . . . . 0.0 109.65 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.1 t -140.86 131.65 25.82 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.282 -0.886 . . . . 0.0 109.676 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.33 83.6 3.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.304 -0.873 . . . . 0.0 108.971 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -134.84 119.97 18.77 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.419 -0.8 . . . . 0.0 109.446 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.303 -1.429 0 CA-C-O 118.045 -0.978 . . . . 0.0 108.824 179.287 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.547 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C1'-N19 110.495 3.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 1 O4'-C1'-N19 111.237 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.839 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.404 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.841 1 O4'-C1'-N19 111.926 5.158 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.61 1 O4'-C1'-N19 111.256 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 1 O4'-C1'-N19 111.682 4.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.235 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.271 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.417 " H4'" HH12 ' A' ' 59' ' ' ARG . . . . . . . . 0 O4'--C1' 1.444 1.826 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.369 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.142 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.519 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.665 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.777 3.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.48 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 O4'-C1'-N19 110.815 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.926 3.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.965 1 O4'-C1'-N19 111.201 4.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.021 0 C3'-C2'-C1' 107.026 3.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.169 4.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.422 0 O4'-C1'-N19 110.59 3.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -102.96 55.71 0.76 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.369 -0.832 . . . . 0.0 109.076 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.17 -40.3 97.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.412 -0.805 . . . . 0.0 110.185 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.64 37.22 1.2 Allowed Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -91.42 12.43 20.62 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.354 -1.086 . . . . 0.0 110.007 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.485 ' O ' ' O ' ' A' ' 7' ' ' ASN . 15.1 pt20 -165.85 170.5 13.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.043 -1.036 . . . . 0.0 110.085 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 6' ' ' GLN . 18.2 m120 -55.9 -158.31 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.373 -0.829 . . . . 0.0 109.403 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' PRO . . . -131.98 179.75 16.89 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 8' ' ' GLY . 51.3 Cg_exo -54.02 -141.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.92 2.414 . . . . 0.0 112.83 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.8 m -59.48 123.66 17.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.168 -0.957 . . . . 0.0 109.579 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 m -140.73 152.94 45.68 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' PHE . 5.8 t -79.7 112.19 16.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.998 -1.064 . . . . 0.0 110.385 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.0 p -68.61 -10.06 53.64 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 109.914 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.422 ' ND2' HD22 ' A' ' 32' ' ' LEU . 57.9 m-20 -96.66 -40.3 9.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.1 p -133.97 6.29 3.65 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.918 -1.114 . . . . 0.0 110.784 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' CYS . 95.5 m-85 54.46 5.89 0.1 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 113.119 177.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.5 t -64.17 129.27 39.3 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 119.964 -1.71 . . . . 0.0 110.467 -179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -99.6 -0.1 41.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -107.97 114.32 28.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 109.206 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -162.53 147.5 9.7 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -79.5 -16.71 11.75 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.944 1.762 . . . . 0.0 112.372 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 ' NH2' ' A' ' 24' ' ' ARG . 55.1 tp -154.38 123.93 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.802 -1.186 . . . . 0.0 109.968 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -82.7 126.19 32.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.505 -0.747 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.4 mmt180 -107.55 177.29 4.88 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.64 151.77 46.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.184 -0.948 . . . . 0.0 109.423 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.9 t30 -88.21 141.66 31.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 108.771 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.04 -9.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.682 1.588 . . . . 0.0 112.494 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.8 mt-10 -98.6 9.44 43.24 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.083 -1.011 . . . . 0.0 109.476 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.01 9.27 85.52 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.168 -0.958 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.04 146.18 35.93 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.596 -1.532 . . . . 0.0 108.629 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.67 137.55 18.24 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.104 1.869 . . . . 0.0 113.78 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD22 ' ND2' ' A' ' 14' ' ' ASN . 89.3 mt -130.13 158.65 39.09 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.2 -141.41 0.08 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.688 -1.257 . . . . 0.0 108.555 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 1.3 p-10 -82.35 -71.5 0.48 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.102 -0.999 . . . . 0.0 111.916 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.66 73.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.86 -1.15 . . . . 0.0 113.46 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.2 m -59.15 -58.34 9.05 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.811 -1.806 . . . . 0.0 110.379 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.24 95.8 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.71 -40.72 84.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.231 -1.158 . . . . 0.0 110.282 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 44.7 t80 -73.62 -45.81 50.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 111.587 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.75 -51.76 67.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.745 -1.222 . . . . 0.0 110.408 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.03 -48.99 79.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 111.647 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.69 -39.25 77.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.039 -1.038 . . . . 0.0 111.236 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 78.3 m80 -87.01 -30.19 21.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.392 -1.442 . . . . 0.0 109.981 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.76 12.43 3.57 Favored Glycine 0 N--CA 1.49 2.28 0 O-C-N 121.225 -0.922 . . . . 0.0 111.625 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.14 139.44 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.715 -1.462 . . . . 0.0 109.968 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.07 143.07 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 110.728 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 25.9 ttm180 -156.7 137.97 9.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.9 Cg_exo -30.49 115.22 0.05 OUTLIER 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.66 2.24 . . . . 0.0 113.53 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.07 -9.66 3.43 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -59.75 -13.05 8.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.055 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.21 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.63 160.81 5.18 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.52 147.58 34.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.004 -1.06 . . . . 0.0 110.028 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -86.3 -8.07 58.0 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.5 t -105.88 122.59 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.2 mt -117.86 129.98 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.294 0.568 . . . . 0.0 109.865 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.9 131.24 41.27 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.08 127.99 34.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.947 -1.096 . . . . 0.0 110.604 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -98.09 167.39 10.92 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -69.26 179.56 1.93 Allowed 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.933 0.873 . . . . 0.0 111.35 -177.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -144.86 130.93 19.36 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.335 0.588 . . . . 0.0 110.1 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -90.61 102.92 15.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.206 -0.934 . . . . 0.0 110.326 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 t -159.43 140.38 12.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.269 -0.894 . . . . 0.0 109.677 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.43 84.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.098 -1.002 . . . . 0.0 108.819 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -59.04 -39.13 81.06 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.574 -0.704 . . . . 0.0 109.878 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.494 1.73 0 O-C-N 120.712 -1.243 . . . . 0.0 109.997 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.697 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.31 0 C3'-C2'-C1' 107.063 3.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.416 1 O4'-C1'-N19 111.142 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.368 3.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.602 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.538 3.332 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.318 1 O4'-C1'-N19 111.501 4.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.757 3.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.131 0 O4'-C1'-N19 110.678 3.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 1 O4'-C1'-N19 111.017 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 O4'-C1'-N19 110.604 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.238 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.586 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.51 0 O4'-C1'-N19 110.459 3.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 1 O4'-C1'-N19 111.033 4.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 110.42 3.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.735 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 1 O4'-C1'-N19 111.123 4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.513 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.661 3.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.755 1 O4'-C1'-N19 111.597 4.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.571 0 C3'-C2'-C1' 107.082 3.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.323 0 O4'-C1'-N19 110.343 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -62.17 -40.02 94.6 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -144.17 10.24 1.49 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.338 -0.851 . . . . 0.0 109.412 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.19 -153.64 29.47 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -179.009 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -129.2 143.81 50.99 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -89.96 -79.95 0.33 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.691 -1.256 . . . . 0.0 109.96 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 31.8 p-10 -89.91 -56.0 3.4 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.938 -1.101 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 7' ' ' ASN . . . -159.19 -158.98 9.39 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 8' ' ' GLY . 51.8 Cg_exo -52.3 -157.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.655 2.237 . . . . 0.0 112.44 179.799 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m -62.34 120.37 10.88 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.27 -0.894 . . . . 0.0 110.263 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 m -139.72 143.45 37.04 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.65 109.11 4.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.646 -1.284 . . . . 0.0 108.83 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -67.55 -10.01 47.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.841 -0.537 . . . . 0.0 109.759 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -97.01 -42.84 7.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.367 -0.833 . . . . 0.0 110.754 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.6 p -129.13 5.14 5.3 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.857 -1.152 . . . . 0.0 110.737 -178.338 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 59.32 4.12 0.45 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.291 -0.881 . . . . 0.0 112.765 177.492 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -65.7 131.14 45.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.06 -1.65 . . . . 0.0 109.473 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -100.06 -9.29 22.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.516 -0.74 . . . . 0.0 109.67 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -100.02 120.08 39.27 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.278 -0.888 . . . . 0.0 109.181 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.42 ' CB ' HD22 ' A' ' 34' ' ' ASN . 10.0 t -163.14 142.93 6.91 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.12 -16.0 12.62 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.858 1.706 . . . . 0.0 112.358 179.293 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 ' NH2' ' A' ' 24' ' ' ARG . 39.6 tp -152.76 120.93 6.23 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 -179.366 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -79.99 127.09 31.87 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.696 0.76 . . . . 0.0 109.752 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.516 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.0 mmt180 -110.79 176.97 4.82 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.274 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' CD ' ' N ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -142.18 155.48 45.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.192 -0.943 . . . . 0.0 109.146 179.04 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.547 ' O ' ' N ' ' A' ' 28' ' ' GLU . 12.8 t-20 -87.98 141.84 31.68 Favored Pre-proline 0 N--CA 1.489 1.509 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -47.12 -9.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 120.844 1.029 . . . . 0.0 111.398 178.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.7 mt-10 -98.41 0.67 45.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.355 -0.84 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.18 61.02 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 121.365 -0.834 . . . . 0.0 111.244 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -95.31 111.9 56.77 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.83 -1.394 . . . . 0.0 108.997 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.34 136.23 25.46 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.612 1.541 . . . . 0.0 113.091 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD11 HD21 ' A' ' 26' ' ' ASN . 78.5 mt -129.43 159.71 35.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.709 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.59 -145.44 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.516 -1.365 . . . . 0.0 108.095 178.216 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 3.5 p30 -80.8 -65.65 0.98 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.892 -1.13 . . . . 0.0 111.343 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.62 -40.02 95.64 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -176.807 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.3 m -56.65 -56.08 25.86 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.219 -1.551 . . . . 0.0 110.692 -178.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.09 -48.43 86.15 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.602 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 60.8 mt -64.92 -40.92 95.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.085 -1.244 . . . . 0.0 110.212 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 61.0 t80 -71.3 -51.43 24.41 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.555 -0.715 . . . . 0.0 111.064 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.63 -50.03 75.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.813 . . . . 0.0 111.087 -177.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.91 -46.02 90.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.864 -1.148 . . . . 0.0 110.661 -179.143 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.95 -34.29 73.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.301 -0.874 . . . . 0.0 110.443 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 59.4 m80 -85.78 -40.81 15.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.668 -1.27 . . . . 0.0 110.279 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.34 9.53 30.73 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.65 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.21 140.05 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.005 -1.291 . . . . 0.0 109.966 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.46 141.04 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.568 -0.707 . . . . 0.0 110.086 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' PRO . 27.8 ttm180 -159.99 136.6 6.53 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' ARG . 8.6 Cg_exo -29.39 113.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 122.65 2.234 . . . . 0.0 113.691 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.56 -8.19 4.08 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 48' ' ' PRO . 58.5 p -55.52 -13.04 1.33 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.82 -32.13 69.09 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -59.84 159.39 9.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.509 -0.745 . . . . 0.0 109.184 178.646 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 t -144.81 151.69 39.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.034 -1.041 . . . . 0.0 110.327 178.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -89.3 -4.26 58.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.3 t -109.63 127.2 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -123.31 139.15 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 121.653 0.739 . . . . 0.0 110.085 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -85.46 133.1 34.11 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -84.18 132.32 34.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.189 -0.944 . . . . 0.0 109.296 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 2.3 mmp_? -103.71 169.52 8.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.306 -0.871 . . . . 0.0 109.699 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -76.33 -164.45 0.4 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.91 0.862 . . . . 0.0 110.738 -178.465 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -144.23 167.16 23.08 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -87.45 107.26 18.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.961 -1.087 . . . . 0.0 109.471 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 p -161.78 -89.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.066 -1.021 . . . . 0.0 109.813 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.03 46.03 1.32 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.617 -0.677 . . . . 0.0 109.837 -179.388 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.032 -1.043 . . . . 0.0 109.327 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.9 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.35 179.619 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.416 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.519 0 O4'-C1'-N19 110.315 3.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.643 3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.005 4.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.121 0 O4'-C1'-N19 110.357 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.46 ' N7 ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.803 1 O4'-C1'-N19 111.786 4.982 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.547 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.565 1 O4'-C1'-N19 111.61 4.762 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.416 1 O4'-C1'-N19 111.981 5.227 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C1'-N19 110.783 3.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.086 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.699 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 1 O4'-C1'-N19 111.05 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.525 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.632 0 O4'-C1'-N19 110.491 3.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.115 4.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.59 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.512 1 O4'-C1'-N19 111.414 4.517 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.59 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.543 1 O4'-C1'-N19 111.243 4.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.547 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.227 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.877 1 O4'-C1'-N19 111.859 5.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.512 0 C3'-C2'-C1' 107.099 3.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 1 O4'-C1'-N19 111.159 4.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 1 O4'-C1'-N19 111.352 4.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.9 tttm 51.5 81.25 0.08 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.913 . . . . 0.0 109.746 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.02 159.93 32.89 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.174 -0.954 . . . . 0.0 109.302 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.54 -14.45 14.18 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -152.6 -162.85 1.58 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.014 -1.286 . . . . 0.0 109.17 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -59.14 139.96 56.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 -179.664 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -70.92 -48.58 52.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.321 -0.862 . . . . 0.0 110.528 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.38 163.3 27.52 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 120.05 -1.072 . . . . 0.0 110.521 -179.086 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.99 74.24 2.96 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.811 2.341 . . . . 0.0 112.027 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 m -56.83 118.26 4.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.993 -1.067 . . . . 0.0 108.251 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -138.03 144.06 40.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.556 -0.715 . . . . 0.0 109.23 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.2 t -72.45 111.55 7.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.828 . . . . 0.0 109.469 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 p -66.52 -9.69 37.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.76 . . . . 0.0 109.599 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -99.8 -39.79 8.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.412 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.639 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.0 p -133.56 11.53 4.08 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.719 -1.238 . . . . 0.0 110.794 -178.734 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 48.4 p90 44.1 7.06 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 178.305 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.639 HG22 ' SG ' ' A' ' 15' ' ' CYS . 14.2 t -60.81 132.63 54.49 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.451 -1.406 . . . . 0.0 109.165 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.5 -0.06 41.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -179.292 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -113.37 116.74 30.14 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.581 -0.7 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -166.68 146.87 5.03 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.141 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.67 -17.9 12.27 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.101 1.867 . . . . 0.0 112.802 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD23 ' NH2' ' A' ' 24' ' ' ARG . 29.8 tp -153.29 126.77 8.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.875 -1.14 . . . . 0.0 110.725 -178.468 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -86.6 128.6 35.0 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.209 0.528 . . . . 0.0 109.587 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' NH2' ' N7 ' ' B' ' 105' ' ' ' DG' . 29.7 mmt180 -110.65 175.1 5.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.556 -0.715 . . . . 0.0 109.442 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 25' ' ' ARG . 18.5 ptt-85 -136.78 151.73 49.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.296 -0.877 . . . . 0.0 110.037 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.5 t-20 -92.07 141.21 24.98 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.05 -11.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.431 1.421 . . . . 0.0 112.456 178.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.6 mm-40 -102.17 4.06 39.07 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.203 -0.936 . . . . 0.0 110.103 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.93 17.87 60.63 Favored Glycine 0 N--CA 1.495 2.593 0 O-C-N 121.172 -0.955 . . . . 0.0 111.699 179.064 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -93.35 113.07 59.08 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 120.631 -1.511 . . . . 0.0 109.01 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.65 131.15 32.43 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.926 1.75 . . . . 0.0 113.83 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -126.07 159.01 33.97 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.8 p -85.18 -142.73 0.09 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.374 -1.454 . . . . 0.0 108.575 178.418 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 10.9 p-10 -80.86 -69.82 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.919 -1.113 . . . . 0.0 111.479 -179.401 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -60.0 -38.09 81.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.32 -0.863 . . . . 0.0 113.037 -177.126 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.2 m -58.4 -54.91 41.71 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.161 -1.587 . . . . 0.0 110.065 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.4 94.58 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.501 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 59.7 mt -66.86 -39.99 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.053 -1.263 . . . . 0.0 110.438 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 66.0 t80 -75.62 -50.04 16.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.384 -0.822 . . . . 0.0 111.527 -178.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.08 -50.05 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.061 -1.024 . . . . 0.0 109.939 -178.019 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -59.96 -46.87 88.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.889 -1.132 . . . . 0.0 110.17 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -37.45 75.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.203 -0.936 . . . . 0.0 111.293 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 71.1 m80 -88.57 -34.99 17.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.7 -1.25 . . . . 0.0 110.563 -178.601 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.28 10.32 47.25 Favored Glycine 0 N--CA 1.49 2.292 0 O-C-N 120.74 -1.225 . . . . 0.0 110.67 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.99 142.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.041 -1.27 . . . . 0.0 109.891 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.6 m -60.0 148.25 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.316 -0.865 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' PRO . 15.7 tpp180 -150.37 136.29 10.55 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.8 Cg_exo -28.88 105.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 122.497 2.131 . . . . 0.0 113.373 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.3 mt -60.29 -14.1 16.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.404 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.8 m -55.92 -7.67 0.35 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.566 -0.709 . . . . 0.0 110.0 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.402 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.5 mt -71.69 -28.97 64.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.096 -1.002 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -50.46 151.8 2.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.467 -0.771 . . . . 0.0 109.562 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.61 152.49 40.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.334 -0.854 . . . . 0.0 109.676 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -86.88 -10.09 54.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.332 -0.855 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.4 132.08 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.162 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -119.65 140.15 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.486 -0.759 . . . . 0.0 109.954 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -72.71 122.41 21.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.47 -0.769 . . . . 0.0 109.185 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.74 126.93 31.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.123 -0.985 . . . . 0.0 109.918 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.34 169.11 8.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.468 -0.77 . . . . 0.0 109.328 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -72.12 -172.06 0.83 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.992 0.901 . . . . 0.0 110.772 -178.283 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -146.8 161.86 39.79 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.61 97.47 10.11 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.474 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.407 ' OG ' ' OXT' ' A' ' 66' ' ' SER . 62.8 p -85.74 162.22 18.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.406 -0.809 . . . . 0.0 109.312 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.79 63.87 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.095 -1.003 . . . . 0.0 109.118 179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -146.48 12.76 1.19 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.245 -0.909 . . . . 0.0 109.579 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.407 ' OXT' ' OG ' ' A' ' 63' ' ' SER . 2.7 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.644 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.481 3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.133 4.166 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 0 O4'-C1'-N19 110.277 3.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.502 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.645 1 O4'-C1'-N19 111.49 4.613 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.409 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.091 4.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 1 O4'-C1'-N19 111.033 4.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.712 0 O4'-C1'-N19 110.98 3.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.087 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.986 3.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.666 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.675 3.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.223 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.284 1 O4'-C1'-N19 111.142 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.226 0 O4'-C1'-N19 110.8 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.485 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.958 1 O4'-C1'-N19 111.188 4.235 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.973 3.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.078 1 O4'-C1'-N19 111.326 4.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 0 C3'-C2'-C1' 107.247 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 0 C3'-C2'-C1' 106.633 2.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 3' ' ' ASN . 26.8 ptt? . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' MET . 16.8 ttmm 38.43 -88.28 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.905 -0.497 . . . . 0.0 110.722 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 1' ' ' MET . 36.4 m120 -75.12 139.4 42.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.041 -1.037 . . . . 0.0 108.883 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.06 108.24 0.3 Allowed Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.228 -1.463 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 2.5 pm0 -149.82 154.61 38.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.505 -0.997 . . . . 0.0 109.523 179.523 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -89.97 -79.38 0.34 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.513 -0.742 . . . . 0.0 109.835 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -117.17 -162.81 0.88 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.595 0.712 . . . . 0.0 109.991 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.72 -77.26 0.02 OUTLIER Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 179.456 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.19 45.19 1.33 Allowed 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.37 2.047 . . . . 0.0 111.818 179.107 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m -60.61 120.55 10.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.906 -1.121 . . . . 0.0 109.899 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -140.97 146.82 37.83 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -80.09 110.92 15.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.785 -1.197 . . . . 0.0 108.755 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.1 p -67.47 -9.83 45.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.632 -0.667 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.549 ' ND2' HD22 ' A' ' 32' ' ' LEU . 51.7 m-20 -99.26 -41.03 7.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 110.845 -178.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.668 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.3 p -129.23 2.3 5.17 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.801 -1.187 . . . . 0.0 111.109 -177.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.49 4.03 0.32 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.202 -0.936 . . . . 0.0 112.988 177.745 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.668 HG22 ' SG ' ' A' ' 15' ' ' CYS . 8.6 t -67.53 133.81 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.364 -1.46 . . . . 0.0 109.729 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -100.81 -2.3 32.6 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.497 -0.752 . . . . 0.0 109.654 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 m -105.12 118.78 37.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.275 -0.891 . . . . 0.0 109.916 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -165.26 145.7 5.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.066 -1.021 . . . . 0.0 110.306 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.88 -16.21 11.52 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.089 1.859 . . . . 0.0 111.674 178.272 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD23 ' NH2' ' A' ' 24' ' ' ARG . 32.4 tp -153.53 128.67 9.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.11 -0.994 . . . . 0.0 110.386 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -88.87 125.97 35.17 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.783 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 29.9 mmt180 -108.34 174.31 5.93 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.39 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -138.96 150.21 45.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.136 -0.978 . . . . 0.0 110.453 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.512 HD21 ' H ' ' A' ' 28' ' ' GLU . 1.7 t30 -88.92 142.34 30.31 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.98 -6.36 0.66 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.452 1.435 . . . . 0.0 111.014 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.512 ' H ' HD21 ' A' ' 26' ' ' ASN . 98.5 mt-10 -92.05 1.26 57.31 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.882 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.43 6.92 80.21 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.51 141.67 32.44 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.729 -1.453 . . . . 0.0 108.889 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.65 141.29 19.5 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.004 1.803 . . . . 0.0 112.929 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.549 HD22 ' ND2' ' A' ' 14' ' ' ASN . 90.3 mt -130.74 159.8 36.22 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.004 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -82.28 -144.32 0.06 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.629 -1.294 . . . . 0.0 108.364 178.269 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.7 p-10 -80.28 -67.6 0.75 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.045 . . . . 0.0 111.806 -179.286 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.479 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -40.01 96.37 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -176.754 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.6 m -55.21 -54.89 37.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.133 -1.604 . . . . 0.0 109.811 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.3 -47.27 83.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.24 -39.97 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.273 . . . . 0.0 109.992 179.278 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.67 -57.05 6.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.594 -0.691 . . . . 0.0 111.815 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.01 -49.98 75.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.016 -1.052 . . . . 0.0 110.048 -176.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 41' ' ' LYS . 2.8 ttmp? -60.94 -50.22 74.28 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.973 -1.08 . . . . 0.0 111.183 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.03 -38.83 75.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.09 -1.006 . . . . 0.0 111.313 -178.074 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -83.92 -46.44 12.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.669 -1.269 . . . . 0.0 110.832 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.12 1.74 64.32 Favored Glycine 0 N--CA 1.491 2.367 0 C-N-CA 119.549 -1.31 . . . . 0.0 110.589 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.0 m -136.22 141.54 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.199 -1.177 . . . . 0.0 109.75 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -60.41 144.23 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.705 -0.622 . . . . 0.0 110.16 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.485 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 44.1 ttt180 -152.51 137.38 10.86 Favored Pre-proline 0 N--CA 1.492 1.633 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 50' ' ' SER . 27.5 Cg_exo -30.37 101.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 122.616 2.211 . . . . 0.0 113.063 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.59 -9.36 1.12 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.396 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 48' ' ' PRO . 59.7 p -59.86 -10.07 3.58 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.99 -30.05 66.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.529 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.85 157.42 2.39 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 151.53 39.59 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.902 -1.124 . . . . 0.0 109.912 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -85.67 -3.8 58.98 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -113.17 128.65 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.683 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -119.95 133.37 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 109.256 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -77.82 128.97 34.84 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.876 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -85.09 132.41 34.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.376 -0.827 . . . . 0.0 109.72 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -102.1 170.26 8.22 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.071 -1.018 . . . . 0.0 109.23 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -76.99 -160.07 0.15 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.318 -0.864 . . . . 0.0 110.662 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.402 HH11 ' HG3' ' A' ' 61' ' ' ARG . 29.5 mmm-85 -139.81 167.29 22.46 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.453 -0.78 . . . . 0.0 109.228 -178.441 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -82.83 157.29 23.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.155 -0.966 . . . . 0.0 109.388 -179.81 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -80.4 159.82 25.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.91 . . . . 0.0 109.839 -179.606 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.53 114.36 28.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.529 -0.732 . . . . 0.0 109.196 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -60.16 -39.97 88.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.197 -0.939 . . . . 0.0 109.867 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.491 1.624 0 O-C-N 120.873 -1.142 . . . . 0.0 109.22 179.736 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.484 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 0 C3'-C2'-C1' 106.906 3.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.083 2.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.411 4.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 O4'-C1'-N19 110.676 3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.488 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.734 1 O4'-C1'-N19 111.556 4.695 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.155 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.167 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.484 3.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.611 3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 0 O4'-C1'-N19 110.558 3.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.425 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.691 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 1 O4'-C1'-N19 111.067 4.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.344 4.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.847 3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.446 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.434 " O4'" ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.173 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.456 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.347 1 O4'-C1'-N19 111.076 4.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.029 1 O4'-C1'-N19 111.023 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.406 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.4 -40.07 89.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.405 -0.809 . . . . 0.0 108.901 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -166.42 169.09 14.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.363 -0.836 . . . . 0.0 109.302 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.0 -79.73 0.2 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -72.46 140.02 48.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.06 -1.259 . . . . 0.0 109.458 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -146.59 172.06 14.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.399 -0.813 . . . . 0.0 108.833 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -69.25 151.13 46.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.153 -0.967 . . . . 0.0 110.015 -179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.15 97.06 0.41 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.26 55.88 5.8 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 121.999 1.799 . . . . 0.0 112.294 -178.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -60.15 120.23 9.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 149.92 43.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.505 -0.747 . . . . 0.0 109.299 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -77.02 110.8 11.95 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 0.0 108.921 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 p -67.49 -10.36 50.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.67 -0.644 . . . . 0.0 109.431 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -96.77 -42.54 7.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.0 110.59 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.8 p -128.36 4.79 5.71 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.077 -1.014 . . . . 0.0 110.938 -178.105 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 57.08 1.99 0.1 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.278 -0.889 . . . . 0.0 112.616 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -61.93 133.38 55.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.183 -1.573 . . . . 0.0 108.837 -179.309 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.87 -12.94 18.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 0.0 109.439 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -101.37 121.23 41.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.041 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.8 t -163.46 144.77 7.35 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.274 -0.891 . . . . 0.0 109.856 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.13 -20.41 11.42 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.356 2.038 . . . . 0.0 112.085 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.545 HD23 HH21 ' A' ' 24' ' ' ARG . 25.1 tp -151.56 125.02 8.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.212 -0.93 . . . . 0.0 109.999 -179.174 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -86.14 127.03 34.64 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.545 HH21 HD23 ' A' ' 22' ' ' LEU . 27.0 mmt180 -107.76 173.61 6.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.407 -0.808 . . . . 0.0 109.196 -179.29 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 25' ' ' ARG . 49.7 mtt-85 -139.91 148.67 42.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.827 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.7 t30 -91.5 140.62 25.41 Favored Pre-proline 0 N--CA 1.49 1.542 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.0 -4.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.34 1.36 . . . . 0.0 112.118 178.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -99.1 -1.82 38.59 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.069 -1.019 . . . . 0.0 109.344 179.184 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 20.36 55.67 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -96.6 111.01 55.85 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 120.933 -1.334 . . . . 0.0 109.002 179.025 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -50.24 136.34 38.68 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.632 1.554 . . . . 0.0 112.835 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.1 mt -132.6 160.51 36.42 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.0 p -83.5 -145.72 0.08 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.667 -1.271 . . . . 0.0 108.326 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 19.4 p-10 -80.73 -68.93 0.64 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.107 -0.996 . . . . 0.0 112.204 -179.464 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -60.44 -36.7 78.83 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.762 -1.211 . . . . 0.0 113.585 -176.666 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.3 m -59.18 -56.92 15.95 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.19 -1.569 . . . . 0.0 110.672 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -45.26 96.22 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.496 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 68.7 mt -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.444 -1.033 . . . . 0.0 110.258 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 85.5 t80 -73.01 -50.99 19.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 112.083 -178.557 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.31 -50.49 73.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.028 -1.045 . . . . 0.0 111.301 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.05 -47.14 87.11 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.034 -1.041 . . . . 0.0 110.036 -179.34 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.11 -34.65 73.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.406 -0.809 . . . . 0.0 111.054 -178.03 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.573 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 67.4 m80 -91.23 -41.07 11.18 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.297 -1.502 . . . . 0.0 110.942 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.27 9.33 57.41 Favored Glycine 0 N--CA 1.491 2.339 0 O-C-N 120.496 -1.378 . . . . 0.0 110.959 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.41 141.71 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.846 -1.385 . . . . 0.0 109.676 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.57 143.44 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.462 -0.774 . . . . 0.0 111.201 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' A' ' 47' ' ' ARG . 21.5 ttm-85 -153.09 136.36 9.89 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -33.92 113.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.182 1.921 . . . . 0.0 113.188 -179.318 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 51' ' ' LEU . 85.1 mt -62.0 -10.13 9.0 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -54.98 -11.2 0.6 Allowed 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 49' ' ' LEU . 94.6 mt -70.55 -30.86 67.7 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -60.43 160.08 9.31 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.17 157.53 43.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.762 -1.211 . . . . 0.0 110.041 179.021 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -89.34 -6.22 56.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.406 -0.809 . . . . 0.0 109.162 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.62 127.61 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.3 mt -122.82 135.22 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.411 -0.805 . . . . 0.0 110.393 -178.66 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -78.69 129.68 34.98 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.18 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.58 133.98 34.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.927 179.668 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' NH2' " O4'" ' C' ' 121' ' ' ' DT' . 19.9 mtm180 -100.98 170.33 8.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 108.907 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -72.9 -165.56 0.23 Allowed 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.675 0.75 . . . . 0.0 110.051 -178.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -147.43 161.02 41.89 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -86.55 100.77 12.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.141 -0.974 . . . . 0.0 108.76 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.1 p -147.05 14.15 1.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.117 -0.989 . . . . 0.0 109.843 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.23 99.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.003 -1.06 . . . . 0.0 109.682 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -72.03 156.76 38.87 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.15 -0.969 . . . . 0.0 109.803 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.504 179.838 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.723 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 C3'-C2'-C1' 106.789 2.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.058 1 O4'-C1'-N19 111.167 4.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.351 1 O4'-C1'-N19 111.514 4.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 0 C3'-C2'-C1' 106.795 2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.508 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.272 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.619 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.473 4.591 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.827 1 O4'-C1'-N19 111.285 4.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 1 O4'-C1'-N19 111.127 4.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.145 4.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.011 4.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.443 1 O4'-C1'-N19 111.119 4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 1 O4'-C1'-N19 111.139 4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.965 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.501 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O4'-C1'-N19 110.728 3.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.514 3.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.485 ' H62' HD13 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.422 ' C4 ' ' O6 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.008 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.431 ' N3 ' ' N1 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.66 3.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.99 0 O4'-C1'-N19 110.98 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 0 O4'-C1'-N19 110.257 3.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.08 -41.77 98.52 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.059 -1.025 . . . . 0.0 109.986 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -113.94 122.46 47.03 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.408 -0.808 . . . . 0.0 109.08 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.6 156.67 27.66 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.964 -1.254 . . . . 0.0 109.964 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 59.5 mp0 -142.82 163.44 32.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.421 -1.047 . . . . 0.0 109.561 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -84.2 -163.49 0.8 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.384 -0.822 . . . . 0.0 109.265 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.97 -52.6 64.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 109.818 -179.495 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.52 -167.08 14.6 Favored Glycine 0 N--CA 1.496 2.699 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.55 -170.47 0.99 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.547 2.164 . . . . 0.0 112.25 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.5 m -61.15 122.07 14.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.115 -0.991 . . . . 0.0 109.825 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.49 145.39 35.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.442 -0.787 . . . . 0.0 109.18 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.88 109.79 4.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.997 -1.064 . . . . 0.0 109.559 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.4 p -68.14 -9.02 43.45 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.668 -0.645 . . . . 0.0 109.31 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.525 ' ND2' HD22 ' A' ' 32' ' ' LEU . 23.9 m-20 -96.13 -41.79 8.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.325 -0.859 . . . . 0.0 110.693 -179.293 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' HG22 ' A' ' 17' ' ' THR . 15.0 p -129.35 10.92 5.81 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.803 -1.186 . . . . 0.0 111.419 -178.594 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 54.54 2.53 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.909 -1.119 . . . . 0.0 112.854 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.549 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -64.5 134.08 53.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.237 -1.539 . . . . 0.0 109.29 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -100.17 -15.06 18.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.347 -0.846 . . . . 0.0 109.551 -179.463 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 m -96.75 122.25 39.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.014 -1.054 . . . . 0.0 109.224 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 t -161.07 142.36 8.76 Favored Pre-proline 0 N--CA 1.487 1.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.96 -20.1 11.9 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.8 1.666 . . . . 0.0 112.268 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.585 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.3 tp -155.73 123.3 5.57 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.069 -1.019 . . . . 0.0 109.561 -179.2 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -81.19 128.68 34.04 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.794 -0.566 . . . . 0.0 111.186 -177.818 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.64 ' HE ' HD22 ' A' ' 34' ' ' ASN . 29.0 mmt180 -109.55 177.74 4.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.351 -0.843 . . . . 0.0 109.827 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 25' ' ' ARG . 5.8 ptt-85 -141.57 158.41 43.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.365 -0.834 . . . . 0.0 109.778 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.1 t30 -94.98 145.11 28.96 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.287 -0.883 . . . . 0.0 109.333 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.42 -11.26 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.433 1.422 . . . . 0.0 112.104 178.241 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -100.03 4.16 44.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.324 -0.86 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.67 16.83 65.06 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 121.511 -0.743 . . . . 0.0 111.54 179.571 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.47 140.56 24.12 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 120.532 -1.569 . . . . 0.0 108.463 178.743 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.49 137.51 20.75 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.25 1.967 . . . . 0.0 113.698 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.525 HD22 ' ND2' ' A' ' 14' ' ' ASN . 85.6 mt -134.19 159.96 39.3 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -88.99 -175.9 4.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.64 HD22 ' HE ' ' A' ' 24' ' ' ARG . 17.2 m120 -65.03 -40.09 94.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.58 -1.325 . . . . 0.0 111.355 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.85 -53.27 28.15 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 111.452 -179.015 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.44 -51.22 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.546 -1.346 . . . . 0.0 111.588 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.27 -49.95 72.99 Favored Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.344 -178.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.619 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 81.6 mt -67.05 -40.07 87.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.102 -1.234 . . . . 0.0 110.007 179.803 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.632 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.4 t80 -71.54 -47.69 53.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.556 -0.715 . . . . 0.0 111.094 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.76 -52.71 63.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.364 -0.835 . . . . 0.0 111.551 -176.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.1 -43.69 95.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.767 -1.208 . . . . 0.0 110.375 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.9 -39.3 76.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 111.375 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.632 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.7 m80 -87.14 -39.96 15.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.651 -1.281 . . . . 0.0 110.533 -178.409 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.87 9.72 63.29 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.707 178.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.26 145.4 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.923 -1.34 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -57.53 146.97 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.401 -0.812 . . . . 0.0 109.268 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.496 HH11 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -150.1 133.86 8.88 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.597 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ARG . 46.5 Cg_exo -31.78 98.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.151 1.901 . . . . 0.0 113.532 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.0 mt -61.14 -9.41 4.65 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.702 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PRO . 36.4 m -55.98 -5.46 0.17 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 49' ' ' LEU . 91.6 mt -77.07 -16.23 59.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 0.0 108.822 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -55.39 148.6 14.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.418 -0.802 . . . . 0.0 109.557 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.17 152.07 40.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 109.396 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.98 128.81 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.42 130.54 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.597 -0.69 . . . . 0.0 109.192 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.51 127.4 32.45 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.297 -0.877 . . . . 0.0 108.877 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.55 129.72 34.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG3' HH11 ' A' ' 59' ' ' ARG . 25.6 mmm-85 -101.08 167.76 10.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 -179.651 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -75.95 -164.61 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.935 0.874 . . . . 0.0 110.904 -178.307 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -142.62 162.23 36.02 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -148.29 104.71 3.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.939 -1.1 . . . . 0.0 109.574 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -159.12 47.45 0.31 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.291 -0.881 . . . . 0.0 108.701 179.178 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.86 155.59 49.58 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.4 0.619 . . . . 0.0 109.485 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -96.96 135.39 39.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 0.0 109.164 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.774 -179.618 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.67 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 C3'-C2'-C1' 106.919 3.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.887 3.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.313 1 O4'-C1'-N19 111.101 4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.452 ' N7 ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.428 1 O4'-C1'-N19 111.47 4.587 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.281 1 O4'-C1'-N19 111.937 5.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.388 1 O4'-C1'-N19 111.405 4.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.383 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 111.015 4.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 1 O4'-C1'-N19 111.034 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.248 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.64 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.524 3.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.534 3.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.686 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.444 4.556 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.686 " O5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 1 O4'-C1'-N19 111.661 4.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.009 1 O4'-C1'-N19 111.339 4.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.002 0 O4'-C1'-N19 110.865 3.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.117 1 O4'-C1'-N19 111.046 4.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.271 4.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.842 3.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.542 0 O4'-C1'-N19 110.838 3.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -89.06 105.39 17.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.234 -0.916 . . . . 0.0 109.013 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -69.84 -38.59 76.54 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.705 -0.622 . . . . 0.0 110.108 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.4 -163.3 31.07 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.367 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 47.5 mp0 -64.51 131.58 47.51 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.24 -1.153 . . . . 0.0 108.515 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -119.84 14.61 12.51 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -59.34 123.07 15.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.517 -0.739 . . . . 0.0 109.633 -179.394 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.01 173.13 14.55 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.41 69.82 1.43 Allowed 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.554 2.169 . . . . 0.0 111.752 -179.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.5 m -60.75 121.25 11.81 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.389 -0.82 . . . . 0.0 110.274 -178.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m -140.75 144.28 35.42 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.94 110.15 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.0 108.461 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 p -67.14 -9.7 42.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.745 -0.597 . . . . 0.0 109.717 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.564 ' ND2' HD22 ' A' ' 32' ' ' LEU . 56.9 m-20 -97.88 -38.99 9.21 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.199 -0.938 . . . . 0.0 110.525 -178.807 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.0 p -133.46 1.6 3.44 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.759 -1.213 . . . . 0.0 110.96 -178.446 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 62.86 2.54 1.01 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.368 -0.832 . . . . 0.0 112.813 178.084 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.577 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -66.82 134.61 52.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.281 -1.512 . . . . 0.0 110.871 -178.354 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -100.29 -11.6 20.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.543 -0.723 . . . . 0.0 109.921 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 m -98.68 118.13 34.7 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.83 -1.169 . . . . 0.0 109.731 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.542 ' CB ' HD22 ' A' ' 34' ' ' ASN . 5.8 t -164.53 145.38 6.49 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.01 -17.37 10.73 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.957 1.771 . . . . 0.0 112.317 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.7 tp -150.86 123.56 8.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.033 . . . . 0.0 110.119 -178.176 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -83.95 123.49 30.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' NH2' ' N7 ' ' B' ' 105' ' ' ' DG' . 28.9 mmt180 -105.56 171.17 7.47 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.341 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.54 157.41 43.67 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.576 0.703 . . . . 0.0 109.499 -179.569 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.8 t30 -97.06 141.07 22.5 Favored Pre-proline 0 N--CA 1.49 1.559 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.65 -9.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.556 1.504 . . . . 0.0 112.06 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -98.28 6.26 47.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.744 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.23 82.9 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -89.84 141.12 28.0 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 120.737 -1.449 . . . . 0.0 108.566 179.055 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -75.49 132.15 14.49 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.43 2.086 . . . . 0.0 112.867 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' ND2' ' A' ' 14' ' ' ASN . 80.1 mt -124.55 160.93 27.25 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 -143.51 0.1 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.356 -1.465 . . . . 0.0 108.432 177.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.56 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 4.0 p30 -80.99 -69.66 0.59 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.016 -1.052 . . . . 0.0 111.476 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.56 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.34 -38.29 83.29 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.616 -0.678 . . . . 0.0 112.798 -176.592 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.37 -56.59 20.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.352 -1.467 . . . . 0.0 110.156 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.97 93.33 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.512 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 54.9 mt -64.44 -44.51 90.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.173 -1.192 . . . . 0.0 110.561 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 53.2 t80 -70.51 -46.22 64.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.768 -0.582 . . . . 0.0 111.531 -178.802 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.5 -50.64 70.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.995 . . . . 0.0 110.512 -177.426 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -62.31 -46.35 89.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.859 -1.151 . . . . 0.0 110.482 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -39.86 78.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 111.082 -178.653 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 56.6 m80 -87.23 -41.24 13.86 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.408 -1.432 . . . . 0.0 110.599 -178.655 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 9.47 47.14 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.818 -1.176 . . . . 0.0 110.989 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.63 141.71 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.078 -1.248 . . . . 0.0 109.542 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 46' ' ' VAL . 17.3 m -60.65 141.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.233 0.539 . . . . 0.0 110.166 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 36.8 ttt180 -153.01 138.42 11.58 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.387 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.9 Cg_exo -29.97 105.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.873 2.382 . . . . 0.0 114.3 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.9 -13.3 14.9 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 p -57.98 -9.97 1.6 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.539 0.685 . . . . 0.0 109.32 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.4 mt -71.62 -22.7 61.67 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.034 -1.041 . . . . 0.0 108.307 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.6 ttpt -55.17 160.25 2.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.95 . . . . 0.0 110.595 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -144.09 147.79 34.25 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.53 0.681 . . . . 0.0 109.658 178.858 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -87.36 -7.61 57.56 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.385 -0.822 . . . . 0.0 109.345 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.2 p -108.5 128.08 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.067 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.7 mt -119.52 135.61 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.532 -0.73 . . . . 0.0 109.317 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -74.1 124.27 25.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.0 108.859 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -79.94 128.53 33.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.729 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -98.6 165.04 12.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.049 -1.032 . . . . 0.0 108.978 179.381 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -74.84 -162.3 0.16 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.949 . . . . 0.0 110.656 -178.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -134.34 151.67 51.37 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -86.97 127.17 35.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 109.07 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.2 p -128.37 151.17 49.66 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.74 161.17 39.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.588 -0.695 . . . . 0.0 109.26 -179.399 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -98.07 146.62 25.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.271 -0.893 . . . . 0.0 109.487 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.491 1.591 0 O-C-N 120.834 -1.166 . . . . 0.0 109.787 179.796 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.73 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.295 3.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 1 O4'-C1'-N19 111.029 4.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.541 4.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.503 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.954 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.394 4.493 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.495 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.105 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C1'-N19 110.636 3.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 110.643 3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 1 O4'-C1'-N19 111.117 4.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.649 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.269 4.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.52 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.177 1 O4'-C1'-N19 111.115 4.143 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.52 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.938 1 O4'-C1'-N19 111.314 4.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.065 4.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 1 O4'-C1'-N19 111.691 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.004 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.008 1 O4'-C1'-N19 111.495 4.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 0 O4'-C1'-N19 110.437 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.604 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.651 3.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.3 0.571 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -64.64 137.75 58.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.482 -0.761 . . . . 0.0 109.84 -179.471 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -152.12 163.76 38.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.179 -0.951 . . . . 0.0 110.082 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.23 -72.13 0.3 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.601 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -66.11 154.54 39.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -1.065 . . . . 0.0 109.061 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.417 ' HG3' ' H ' ' A' ' 7' ' ' ASN . 25.7 tp60 -122.04 -147.52 0.39 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.671 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' H ' ' HG3' ' A' ' 6' ' ' GLN . 75.3 m-20 -65.39 -39.99 92.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.067 -1.021 . . . . 0.0 108.879 179.604 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' O ' ' N ' ' A' ' 10' ' ' THR . . . 156.83 -54.6 0.4 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.327 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 88.5 Cg_exo -49.61 62.56 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.902 0 C-N-CA 123.571 2.847 . . . . 0.0 113.789 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.598 ' N ' ' O ' ' A' ' 8' ' ' GLY . 49.8 m -61.12 119.82 9.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.953 -1.092 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -138.68 144.78 39.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.293 -0.879 . . . . 0.0 109.059 179.724 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.1 t -72.83 111.57 8.08 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.013 -1.054 . . . . 0.0 109.449 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.1 p -66.66 -9.23 33.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.853 -0.529 . . . . 0.0 109.623 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.564 ' ND2' HD22 ' A' ' 32' ' ' LEU . 65.0 m-20 -99.73 -40.09 7.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.373 -0.829 . . . . 0.0 110.726 -179.15 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.1 p -132.79 5.43 3.94 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.734 -1.229 . . . . 0.0 111.94 -177.522 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 56.59 4.34 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.893 -1.129 . . . . 0.0 112.68 177.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.592 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -65.59 132.41 48.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.134 -1.604 . . . . 0.0 110.043 -179.091 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -98.06 -5.14 34.51 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.7 m -103.95 117.35 34.1 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.225 -0.922 . . . . 0.0 109.776 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 t -164.47 146.46 6.98 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -82.51 -15.47 8.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.844 1.696 . . . . 0.0 112.167 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.528 HD23 ' NH2' ' A' ' 24' ' ' ARG . 24.6 tp -154.7 123.45 6.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.14 -0.975 . . . . 0.0 110.59 -178.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -83.25 126.72 32.96 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.55 0.69 . . . . 0.0 109.576 179.712 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.528 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.0 mmt180 -108.27 178.89 4.37 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.536 HH11 ' HG2' ' A' ' 25' ' ' ARG . 7.0 ptt-85 -142.43 150.32 40.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.272 -0.893 . . . . 0.0 109.493 179.871 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.9 t30 -87.94 142.06 31.93 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -45.57 -10.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.374 1.383 . . . . 0.0 112.593 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.0 mt-10 -99.95 4.04 44.72 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.957 -1.089 . . . . 0.0 108.934 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 19.37 60.66 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.399 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -95.45 110.13 49.13 Favored Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 120.777 -1.425 . . . . 0.0 108.353 178.725 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.65 135.51 27.49 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.721 1.614 . . . . 0.0 113.482 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' ND2' ' A' ' 14' ' ' ASN . 87.4 mt -128.99 162.23 28.08 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.527 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 27.8 p -85.85 -145.21 0.11 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.41 -1.431 . . . . 0.0 108.483 178.143 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.501 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -80.45 -66.93 0.82 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.776 -1.203 . . . . 0.0 111.829 -178.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.53 -39.43 93.53 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -176.564 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.59 -54.88 41.91 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.12 -1.613 . . . . 0.0 110.562 -178.457 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.04 -42.37 98.19 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.275 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.431 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 91.7 mt -68.36 -42.2 79.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.28 -1.129 . . . . 0.0 111.8 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 30.9 t80 -78.89 -46.13 19.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 111.184 -179.002 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.04 -49.99 75.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.0 109.918 -177.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.03 -42.83 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 0.0 110.6 -179.239 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.01 -33.49 72.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.207 -0.933 . . . . 0.0 111.744 -178.45 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.6 m80 -92.07 -30.04 16.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.661 -1.275 . . . . 0.0 110.583 -178.095 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 12.38 41.73 Favored Glycine 0 N--CA 1.492 2.43 0 O-C-N 120.671 -1.268 . . . . 0.0 111.099 178.404 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.39 168.42 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.032 -1.275 . . . . 0.0 109.626 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -54.49 149.15 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.063 -179.223 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -128.87 134.85 26.77 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.84 102.91 1.27 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.967 1.111 . . . . 0.0 109.334 178.854 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -58.61 -10.91 2.53 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.46 -0.775 . . . . 0.0 109.286 -178.347 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -61.56 -15.67 40.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.638 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.44 -29.94 59.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.137 -0.977 . . . . 0.0 109.419 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -53.32 155.05 2.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.857 . . . . 0.0 109.728 -179.297 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.06 160.1 43.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.271 -0.893 . . . . 0.0 109.454 179.179 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -86.23 -5.61 59.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 108.75 179.283 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.23 127.51 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.04 135.77 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.414 -0.804 . . . . 0.0 109.624 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -74.21 121.69 21.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.199 -0.938 . . . . 0.0 108.79 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.31 134.63 34.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 108.64 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.48 HH11 ' HG2' ' A' ' 59' ' ' ARG . 5.9 mmt-85 -101.32 165.39 11.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 108.67 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -85.29 -154.14 0.18 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.558 -0.714 . . . . 0.0 109.7 -179.014 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.54 HH11 ' HG2' ' A' ' 61' ' ' ARG . 14.5 mtt-85 -141.27 141.92 33.93 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.699 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -156.7 123.26 5.06 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.622 -1.299 . . . . 0.0 111.185 -178.57 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.9 t -112.93 118.04 33.75 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.633 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.9 130.01 19.64 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.033 -1.042 . . . . 0.0 110.187 -179.083 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -62.21 -40.06 94.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.209 -0.932 . . . . 0.0 108.794 179.474 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.431 179.977 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.472 3.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 O4'-C1'-N19 110.128 2.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.477 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.807 0 O4'-C1'-N19 110.788 3.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.526 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.976 3.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 1.663 1 O4'-C1'-N19 111.756 4.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.435 1 O4'-C1'-N19 111.339 4.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.452 ' N6 ' ' N4 ' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.489 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 0 O4'-C1'-N19 110.566 3.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.452 ' N4 ' ' N6 ' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.097 1 O4'-C1'-N19 111.008 4.01 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 111.015 4.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.254 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 0 C3'-C2'-C1' 107.108 3.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . 0.419 ' P ' ' ND2' ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.304 1 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.691 3.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.882 3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.748 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -72.87 144.18 47.51 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 109.656 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -70.04 157.93 36.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.0 109.482 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.66 -21.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.98 -151.22 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.317 -1.108 . . . . 0.0 110.026 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.418 ' HG3' ' H ' ' A' ' 7' ' ' ASN . 37.2 tp60 -132.03 -145.07 0.25 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' H ' ' HG3' ' A' ' 6' ' ' GLN . 44.6 p-10 -160.33 161.25 33.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.841 -1.162 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.41 167.36 19.95 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.633 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.78 156.41 27.45 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.597 2.198 . . . . 0.0 111.969 179.74 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.1 m -59.03 129.55 42.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.054 -1.029 . . . . 0.0 109.089 -179.373 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 m -138.16 144.84 40.93 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.7 t -72.61 109.25 6.12 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.263 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -67.84 -9.62 46.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 109.743 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.56 -40.12 8.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.349 -0.844 . . . . 0.0 111.401 -178.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.0 p -126.71 1.36 6.77 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.766 -1.209 . . . . 0.0 111.152 -178.157 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 61.64 2.62 0.72 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.294 -0.878 . . . . 0.0 113.106 177.314 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.563 HG22 ' SG ' ' A' ' 15' ' ' CYS . 11.6 t -64.88 133.23 51.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.139 -1.6 . . . . 0.0 109.437 -179.034 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -97.09 -13.75 21.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.854 . . . . 0.0 110.221 -178.519 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 m -104.13 126.27 51.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.282 -0.886 . . . . 0.0 108.956 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.6 t -164.51 145.38 6.51 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.172 -0.955 . . . . 0.0 109.83 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.63 -20.89 11.79 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.386 2.057 . . . . 0.0 112.418 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD23 ' NH2' ' A' ' 24' ' ' ARG . 38.6 tp -153.44 121.96 6.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.99 . . . . 0.0 110.243 -178.53 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -81.05 123.35 28.3 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.41 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' NH2' HD23 ' A' ' 22' ' ' LEU . 32.3 mmt180 -103.6 172.57 6.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 109.072 -179.238 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -132.93 147.09 52.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 -179.535 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.4 t30 -88.22 140.12 30.5 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.441 -0.787 . . . . 0.0 109.135 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -42.04 -16.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.469 1.446 . . . . 0.0 112.249 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.2 mt-10 -100.06 6.84 44.99 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.116 -0.99 . . . . 0.0 110.041 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.91 15.99 66.33 Favored Glycine 0 N--CA 1.494 2.565 0 O-C-N 121.268 -0.895 . . . . 0.0 111.872 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -92.67 114.58 62.89 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 120.526 -1.573 . . . . 0.0 109.464 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.04 135.39 24.04 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.548 2.166 . . . . 0.0 114.229 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.3 mt -133.22 158.38 43.02 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.36 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -84.14 -140.22 0.07 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.221 -1.55 . . . . 0.0 108.448 177.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 5.8 p-10 -81.44 -69.34 0.62 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.949 -1.094 . . . . 0.0 111.347 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.5 -34.72 78.39 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.88 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.0 m -57.69 -53.6 56.41 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.048 -1.657 . . . . 0.0 110.53 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -39.89 91.19 Favored Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.515 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 68.8 mt -69.77 -40.18 76.22 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.046 -1.267 . . . . 0.0 111.946 -178.871 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 54.2 t80 -78.21 -44.92 24.38 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.831 -1.168 . . . . 0.0 110.928 -179.277 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.8 -52.93 61.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.702 -177.599 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.39 -45.49 93.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.849 -1.157 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.14 -33.35 74.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.339 -0.851 . . . . 0.0 111.948 -177.262 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.613 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 69.5 m80 -98.13 -20.22 17.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.648 -1.283 . . . . 0.0 110.077 -178.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.61 13.5 58.85 Favored Glycine 0 N--CA 1.494 2.516 0 O-C-N 120.806 -1.184 . . . . 0.0 110.934 178.159 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.17 162.23 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.325 -1.103 . . . . 0.0 109.07 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -50.53 157.89 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -107.53 133.16 20.51 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.343 -0.848 . . . . 0.0 109.23 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 50' ' ' SER . 23.0 Cg_endo -65.25 84.29 0.2 Allowed 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 120.799 1.0 . . . . 0.0 109.545 178.294 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.74 -8.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.627 -0.67 . . . . 0.0 109.49 -178.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 48' ' ' PRO . 44.5 p -60.01 -15.14 20.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 108.682 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.7 mt -84.08 13.29 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.372 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -58.45 122.35 13.11 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.666 0.746 . . . . 0.0 109.265 179.588 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -145.64 145.49 30.95 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.699 0.761 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.46 -0.76 54.49 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.474 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.7 t -113.29 130.0 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.9 mt -120.03 132.29 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -68.82 124.25 23.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.218 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -86.56 132.05 34.01 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.376 -0.828 . . . . 0.0 109.527 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HG3' HH11 ' A' ' 59' ' ' ARG . 20.6 mmm-85 -100.47 172.31 7.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.357 -0.839 . . . . 0.0 109.037 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -70.04 -176.96 1.23 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.358 -0.839 . . . . 0.0 111.204 -177.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 61' ' ' ARG . 40.5 mtt-85 -142.91 154.86 44.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.56 -0.712 . . . . 0.0 109.919 -179.551 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' ND2' ' P ' ' C' ' 123' ' ' ' DG' . 47.9 p-10 -86.44 -4.21 59.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.239 -0.913 . . . . 0.0 108.724 179.167 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.2 p -149.15 160.05 43.7 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.75 72.14 1.35 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.345 -0.847 . . . . 0.0 109.307 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -90.03 -1.45 57.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 0.0 109.277 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.37 179.66 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.191 0 C3'-C2'-C1' 106.942 3.03 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.438 3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 O4'-C1'-N19 110.529 3.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 C3'-C2'-C1' 106.823 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.462 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.291 4.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.514 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.014 4.018 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C1'-N19 112.119 5.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.49 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 110.828 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 1 O4'-C1'-N19 111.263 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.677 3.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.468 1 O4'-C1'-N19 111.174 4.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.61 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.303 0 O4'-C1'-N19 110.562 3.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.259 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.606 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.081 0 O4'-C1'-N19 110.962 3.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.606 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.15 4.188 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.398 1 O4'-C1'-N19 111.006 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.514 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.379 0 O4'-C1'-N19 110.995 3.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 1 O4'-C1'-N19 111.76 4.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 0 O4'-C1'-N19 110.574 3.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.964 3.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.073 0 O4'-C1'-N19 110.785 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -149.63 156.55 42.1 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.96 -1.087 . . . . 0.0 109.078 179.656 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -113.75 136.34 52.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.371 -0.83 . . . . 0.0 109.801 -179.662 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.91 78.74 0.26 Allowed Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -96.19 5.6 50.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.125 -1.22 . . . . 0.0 109.284 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -61.95 -39.91 93.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -99.64 -168.05 1.55 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.18 -0.95 . . . . 0.0 109.647 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.22 -63.9 0.53 Allowed Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -55.07 -36.19 92.24 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.353 2.035 . . . . 0.0 111.589 179.286 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.4 m -62.36 120.42 10.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.578 -0.701 . . . . 0.0 110.267 -179.121 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -147.57 140.26 24.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.7 t -69.74 110.04 4.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.876 -1.14 . . . . 0.0 109.644 -179.865 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.7 p -67.19 -10.22 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.699 -0.626 . . . . 0.0 109.955 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.519 ' ND2' HD22 ' A' ' 32' ' ' LEU . 73.5 m-20 -98.88 -39.19 8.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.173 -0.954 . . . . 0.0 110.4 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.599 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.0 p -133.32 4.49 3.71 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.829 -1.17 . . . . 0.0 111.394 -178.162 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 56.88 5.36 0.22 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.914 -1.117 . . . . 0.0 113.003 177.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.599 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -66.67 133.16 49.66 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.137 -1.602 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -101.63 -3.27 28.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.361 -0.837 . . . . 0.0 109.305 178.753 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 m -102.64 110.92 23.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.444 -0.785 . . . . 0.0 109.503 -179.436 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t -165.08 147.82 6.94 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.133 -0.979 . . . . 0.0 109.878 179.778 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -83.53 -16.21 6.97 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.359 2.039 . . . . 0.0 112.679 179.295 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 ' NH2' ' A' ' 24' ' ' ARG . 24.3 tp -152.86 119.64 5.71 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.968 -1.082 . . . . 0.0 109.689 -179.226 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -82.61 130.62 35.15 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.553 -179.229 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.58 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.6 mmt180 -110.08 176.04 5.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.081 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -134.03 147.3 50.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.81 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLU . 12.3 t30 -87.75 142.96 32.95 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.647 -0.658 . . . . 0.0 109.725 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.38 -12.56 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.998 1.798 . . . . 0.0 113.074 178.385 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' ASN . 64.4 mm-40 -98.71 9.44 43.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.841 -1.162 . . . . 0.0 109.212 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.21 9.79 86.68 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 120.335 -0.936 . . . . 0.0 110.995 178.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.42 146.06 41.21 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.573 -1.546 . . . . 0.0 107.863 178.686 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.79 131.85 12.62 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 121.594 1.529 . . . . 0.0 113.425 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.519 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.4 mt -122.14 161.15 23.66 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.374 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 p -84.49 -147.82 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.083 -1.636 . . . . 0.0 108.861 178.676 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.467 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 7.4 p-10 -79.89 -64.42 1.19 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.856 -1.153 . . . . 0.0 111.532 -179.083 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.76 86.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.003 -1.061 . . . . 0.0 113.597 -177.12 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -59.2 -55.7 31.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.142 -1.598 . . . . 0.0 111.128 -178.02 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.09 96.26 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.471 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 52.2 mt -66.43 -40.64 89.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -1.211 . . . . 0.0 110.25 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 56.6 t80 -77.74 -48.91 15.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.288 -0.882 . . . . 0.0 112.422 -178.483 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.877 -1.139 . . . . 0.0 110.721 -176.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -60.01 -48.4 81.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.903 -1.123 . . . . 0.0 110.193 -179.542 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.76 -35.93 79.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 0.0 111.254 -177.643 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 57.9 m80 -88.91 -34.0 17.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.563 -1.336 . . . . 0.0 110.546 -178.546 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.67 11.19 2.61 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.848 -1.158 . . . . 0.0 111.669 178.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.83 140.33 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 CA-C-N 119.022 1.411 . . . . 0.0 110.122 179.732 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.5 m -59.05 141.18 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.572 -0.705 . . . . 0.0 109.678 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 47' ' ' ARG . 4.6 ttt-85 -155.73 136.65 9.08 Favored Pre-proline 0 N--CA 1.49 1.529 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' SER . 50.4 Cg_exo -34.13 110.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.095 1.864 . . . . 0.0 113.84 -178.893 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 51' ' ' LEU . 85.8 mt -63.28 -9.36 11.32 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.56 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 48' ' ' PRO . 56.2 p -53.72 -8.99 0.18 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 49' ' ' LEU . 85.4 mt -69.99 -26.74 64.22 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.783 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -50.93 147.12 5.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.629 0.728 . . . . 0.0 109.705 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.45 150.13 38.58 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.606 -0.683 . . . . 0.0 109.18 178.746 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -85.41 -8.73 58.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.443 -0.785 . . . . 0.0 109.262 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -108.2 121.35 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.4 mt -112.08 130.06 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.637 -0.664 . . . . 0.0 109.279 -179.161 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.54 122.77 24.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 109.091 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.84 132.03 34.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -0.881 . . . . 0.0 108.749 179.308 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -100.02 166.95 10.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.328 -0.858 . . . . 0.0 108.961 -179.496 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -79.1 -161.63 0.32 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.515 -0.741 . . . . 0.0 109.952 -178.569 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -139.67 114.87 9.73 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -93.1 118.65 31.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.344 -0.848 . . . . 0.0 108.851 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -60.05 -39.19 85.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.03 -1.044 . . . . 0.0 109.598 -179.634 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.07 153.5 28.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.077 -1.014 . . . . 0.0 109.263 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -63.95 132.4 50.57 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.267 -0.895 . . . . 0.0 109.706 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.068 179.576 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.859 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.51 0 C3'-C2'-C1' 106.964 3.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.45 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.392 0 O4'-C1'-N19 110.383 3.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.488 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 111.498 4.623 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.537 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.303 4.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.419 ' N3 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.558 4.698 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.962 1 O4'-C1'-N19 111.247 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.889 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 1 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 1 O4'-C1'-N19 111.274 4.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 1 O4'-C1'-N19 111.278 4.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.93 3.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 0 O4'-C1'-N19 110.616 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-N19 110.764 3.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.524 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.296 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.503 ' H62' HD13 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.606 3.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.116 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.403 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.432 4.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.729 3.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.866 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -103.42 140.07 37.95 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.615 -0.678 . . . . 0.0 109.526 -179.776 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -71.8 -22.57 61.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 109.971 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.53 46.8 2.26 Favored Glycine 0 N--CA 1.497 2.739 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.565 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.97 -37.98 81.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.541 -0.976 . . . . 0.0 110.794 -178.514 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.9 -131.66 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.707 -1.246 . . . . 0.0 109.989 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.49 138.92 58.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.012 -1.055 . . . . 0.0 109.615 -179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.36 -69.88 0.74 Allowed Glycine 0 N--CA 1.498 2.769 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 179.208 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -53.7 154.91 15.01 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.147 1.898 . . . . 0.0 111.858 179.365 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 m -61.66 118.67 7.4 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.914 -1.116 . . . . 0.0 108.5 179.544 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 m -142.66 147.78 36.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.245 -0.909 . . . . 0.0 109.159 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.8 t -74.39 109.1 7.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.988 -1.07 . . . . 0.0 108.838 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 p -67.59 -9.97 47.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.643 -0.661 . . . . 0.0 109.725 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.511 ' O ' HD13 ' A' ' 49' ' ' LEU . 26.1 m-20 -96.3 -37.68 10.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.127 -0.983 . . . . 0.0 110.193 -179.794 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.7 p -134.42 8.43 3.66 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.74 -1.225 . . . . 0.0 112.15 -178.492 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 56.83 2.75 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.757 -1.214 . . . . 0.0 112.843 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.1 t -63.67 130.93 46.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.015 -1.678 . . . . 0.0 109.126 -179.248 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -100.04 -7.13 25.39 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -100.64 117.53 34.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.217 -0.927 . . . . 0.0 109.049 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -163.3 144.88 7.56 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.133 -0.979 . . . . 0.0 109.288 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.16 -18.43 7.38 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.087 1.858 . . . . 0.0 112.757 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.571 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.5 tp -154.72 124.68 6.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.919 -1.113 . . . . 0.0 109.876 -178.844 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.17 126.98 33.21 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.752 0.787 . . . . 0.0 111.346 -178.181 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HE ' ' ND2' ' A' ' 34' ' ' ASN . 28.7 mmt180 -109.86 177.63 4.66 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.507 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -141.78 154.98 45.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.095 -1.003 . . . . 0.0 109.539 179.089 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.6 t30 -91.65 144.39 29.42 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.29 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.216 1.277 . . . . 0.0 111.888 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.4 mt-10 -100.2 -0.04 39.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.35 -0.844 . . . . 0.0 109.646 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.59 17.18 60.62 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 121.395 -0.815 . . . . 0.0 111.658 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -94.62 112.39 57.67 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.629 -1.512 . . . . 0.0 109.276 179.123 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.67 133.86 27.03 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.718 1.612 . . . . 0.0 112.955 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.428 HD22 ' ND2' ' A' ' 14' ' ' ASN . 80.2 mt -127.25 158.52 36.95 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.603 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 24.6 p -87.54 -173.08 4.18 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 176.127 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 11.1 m120 -68.67 -40.78 80.0 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.654 -1.279 . . . . 0.0 112.42 -178.588 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -50.67 55.39 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.634 -1.292 . . . . 0.0 111.003 -178.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.46 -52.72 63.37 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.669 -1.27 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.47 69.27 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 50.1 mt -69.9 -41.27 74.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -1.223 . . . . 0.0 110.842 -179.69 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t80 -74.32 -47.98 31.21 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 111.227 -179.509 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.97 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.002 -1.061 . . . . 0.0 110.705 -177.584 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.98 -43.21 95.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.096 -1.003 . . . . 0.0 110.373 -179.499 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.56 -38.16 77.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.481 -0.762 . . . . 0.0 112.084 -178.499 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.561 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 29.8 m80 -93.06 -31.3 14.89 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.662 -1.274 . . . . 0.0 110.582 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 22.37 71.34 Favored Glycine 0 N--CA 1.493 2.491 0 O-C-N 120.663 -1.273 . . . . 0.0 111.492 178.316 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' ARG . 33.4 m -131.57 159.93 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.036 -1.273 . . . . 0.0 110.523 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 46' ' ' VAL . 2.5 m -53.02 90.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-O 122.258 1.028 . . . . 0.0 109.642 -179.673 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.524 ' NH2' ' OP1' ' C' ' 119' ' ' ' DT' . 7.5 ttt-85 -51.05 110.27 1.7 Allowed Pre-proline 0 C--N 1.292 -1.909 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.383 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.18 98.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.31 1.34 . . . . 0.0 110.503 178.023 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 14' ' ' ASN . 55.3 mt -59.78 -10.57 3.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.341 -0.849 . . . . 0.0 109.67 -179.058 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 t -60.57 -14.26 19.03 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -79.57 -9.45 59.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 0.0 109.865 -178.542 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -51.99 139.36 22.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.087 -1.008 . . . . 0.0 110.487 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.08 154.39 41.1 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.474 0.654 . . . . 0.0 109.732 178.814 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -90.17 -6.87 54.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 110.41 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.14 125.94 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.099 -1.001 . . . . 0.0 109.664 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -120.47 135.8 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.551 -0.718 . . . . 0.0 109.487 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -76.25 125.15 28.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.021 -1.05 . . . . 0.0 109.91 -179.453 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -88.74 136.38 33.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -99.58 166.81 10.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.096 -1.003 . . . . 0.0 109.377 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -74.9 -165.94 0.42 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.536 -0.728 . . . . 0.0 109.931 -179.145 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -144.46 146.93 32.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.493 -0.754 . . . . 0.0 109.339 179.534 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -85.24 151.16 24.28 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.234 -0.917 . . . . 0.0 109.771 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -92.34 161.02 14.85 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.274 -0.892 . . . . 0.0 109.92 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -127.85 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.383 -0.823 . . . . 0.0 109.447 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -89.95 -2.6 58.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.126 -0.984 . . . . 0.0 109.177 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.247 -179.992 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.791 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.394 0 C3'-C2'-C1' 106.892 2.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 1 O4'-C1'-N19 111.275 4.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 0 O4'-C1'-N19 110.501 3.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 111.573 4.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.4 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 1 O4'-C1'-N19 111.852 5.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.04 4.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 0 C3'-C2'-C1' 106.939 3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.942 3.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.506 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.577 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.538 3.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.567 3.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.389 4.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.281 1 O4'-C1'-N19 111.271 4.339 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.622 ' P ' HD22 ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 111.096 4.12 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.131 1 O4'-C1'-N19 111.411 4.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.038 0 O4'-C1'-N19 110.431 3.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 0 O4'-C1'-N19 110.981 3.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.546 3.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.73 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.099 4.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -60.06 -41.97 93.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 109.232 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.9 p-10 -162.0 68.46 0.27 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.831 . . . . 0.0 108.869 179.232 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.7 -176.03 39.17 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.274 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -79.13 159.48 27.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.556 -0.967 . . . . 0.0 109.787 -179.621 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.598 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 3.8 pm0 -56.08 -175.58 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.129 -0.982 . . . . 0.0 109.29 179.6 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.01 -44.8 94.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.148 -0.97 . . . . 0.0 109.073 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.82 59.94 1.65 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.386 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.66 142.66 26.17 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.1 m -59.36 121.36 11.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.331 -0.856 . . . . 0.0 109.351 -179.462 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -139.31 142.81 37.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -0.788 . . . . 0.0 109.43 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.3 t -70.15 110.05 4.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.158 -0.963 . . . . 0.0 109.047 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -66.46 -9.09 30.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.608 -0.682 . . . . 0.0 109.502 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.461 ' ND2' HD22 ' A' ' 32' ' ' LEU . 40.0 m-20 -100.01 -39.79 7.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.398 -0.814 . . . . 0.0 111.157 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.4 p -132.04 4.45 4.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.84 -1.163 . . . . 0.0 111.578 -177.735 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 55.58 3.45 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.942 -1.099 . . . . 0.0 112.641 177.676 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.0 t -62.52 130.42 45.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.279 -1.513 . . . . 0.0 109.349 -179.145 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -98.36 -12.63 21.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.444 -0.785 . . . . 0.0 110.126 -178.759 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -99.56 118.46 36.17 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.824 -1.173 . . . . 0.0 109.222 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -164.05 143.18 6.16 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.099 -1.001 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.72 -17.43 18.03 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.175 1.917 . . . . 0.0 112.423 178.766 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.472 HD23 ' NH2' ' A' ' 24' ' ' ARG . 19.7 tp -155.92 121.93 5.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.983 -1.073 . . . . 0.0 110.8 -178.59 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -81.1 127.63 32.85 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.0 mmt180 -109.9 179.58 4.08 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.416 -0.803 . . . . 0.0 109.374 -179.335 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -136.67 151.67 49.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.534 -0.729 . . . . 0.0 110.014 -179.577 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 17.0 t-20 -88.63 141.28 30.07 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -44.6 -12.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.199 1.266 . . . . 0.0 112.027 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -100.01 6.42 45.07 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.266 -0.896 . . . . 0.0 109.587 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.2 71.93 Favored Glycine 0 N--CA 1.491 2.313 0 O-C-N 121.369 -0.832 . . . . 0.0 111.475 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -91.36 114.75 62.75 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.69 -1.477 . . . . 0.0 108.599 179.063 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.28 133.64 24.87 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.716 1.611 . . . . 0.0 113.18 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.9 mt -128.36 158.62 37.74 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.144 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 29.7 p -86.11 -132.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.382 -1.449 . . . . 0.0 109.107 178.582 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.622 HD22 ' P ' ' C' ' 120' ' ' ' DA' . 2.3 p-10 -82.53 -85.09 0.11 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 112.21 -178.722 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.12 65.52 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.617 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 35.3 m -57.53 -53.01 63.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.041 -1.662 . . . . 0.0 109.895 -178.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -43.45 66.87 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.143 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.42 -40.04 92.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.867 -1.373 . . . . 0.0 111.04 -179.157 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.64 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 t80 -78.22 -45.34 23.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.064 -1.022 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.41 -52.66 62.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.046 -1.034 . . . . 0.0 110.448 -177.535 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -61.44 -41.88 97.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.87 -1.144 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.81 -29.74 67.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.136 -0.978 . . . . 0.0 110.313 -177.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.64 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 57.1 m80 -92.03 -33.12 14.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.745 -1.222 . . . . 0.0 110.978 -178.679 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.34 14.27 63.97 Favored Glycine 0 N--CA 1.495 2.568 0 O-C-N 120.576 -1.327 . . . . 0.0 111.733 178.038 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.66 169.63 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.838 -1.389 . . . . 0.0 109.075 179.532 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -48.68 147.25 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.74 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.617 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -117.74 125.61 27.93 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.684 -0.635 . . . . 0.0 109.36 -179.761 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.44 110.27 3.07 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.138 1.226 . . . . 0.0 110.114 178.152 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.08 -11.7 6.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -59.76 -25.89 65.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.784 -179.692 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.21 -30.39 62.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.07 -1.019 . . . . 0.0 110.667 -178.515 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -57.27 155.8 8.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 109.888 -179.07 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.23 158.6 43.89 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.419 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.69 -2.96 58.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 108.666 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.2 129.3 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.723 -0.611 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.7 139.83 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.723 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -83.85 132.2 34.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.079 -1.013 . . . . 0.0 109.071 179.565 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -84.4 135.49 34.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.468 -0.77 . . . . 0.0 109.635 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 59' ' ' ARG . 6.2 mmt-85 -99.49 166.38 11.19 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.169 -0.957 . . . . 0.0 108.667 179.502 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -76.62 -157.19 0.08 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.493 -0.754 . . . . 0.0 109.788 -179.347 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -142.14 170.46 15.66 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -74.63 -46.28 39.33 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.095 -1.003 . . . . 0.0 109.064 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.2 p -160.28 156.38 26.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.155 -0.965 . . . . 0.0 109.463 179.272 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.24 156.02 33.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 109.016 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -101.9 120.04 39.75 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.082 -1.011 . . . . 0.0 109.654 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.198 179.79 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.797 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.777 0 O4'-C1'-N19 110.371 3.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.058 1 O4'-C1'-N19 111.003 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 0 C3'-C2'-C1' 106.792 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.507 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.332 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.573 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.117 4.146 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.898 5.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 1 O4'-C1'-N19 111.014 4.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.596 0 O4'-C1'-N19 110.616 3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.8 3.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.933 3.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.684 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.695 1 O4'-C1'-N19 111.018 4.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 0 O4'-C1'-N19 110.67 3.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.565 3.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.401 ' OP2' ' CD2' ' A' ' 39' ' ' PHE . . . . . . . . 0 C5'--C4' 1.53 2.395 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.563 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.386 4.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 C3'-C2'-C1' 107.112 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.095 0 O4'-C1'-N19 110.538 3.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.608 0 O4'-C1'-N19 110.668 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -60.88 -40.34 92.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.213 -0.929 . . . . 0.0 109.066 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 18.1 p30 -176.42 -28.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.838 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.535 ' N ' ' OD1' ' A' ' 3' ' ' ASN . . . 166.37 165.63 24.07 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -88.41 137.9 31.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.268 -1.136 . . . . 0.0 108.719 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.429 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 98.8 mt-30 -60.59 -57.09 14.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.985 -1.072 . . . . 0.0 109.613 -179.235 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 6' ' ' GLN . 79.7 m-20 -150.5 -78.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.028 -1.045 . . . . 0.0 109.009 179.815 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.14 174.5 37.74 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 179.713 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -46.9 115.45 1.28 Allowed 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.088 1.859 . . . . 0.0 111.655 179.72 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 m -64.89 118.99 9.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.1 -1.0 . . . . 0.0 109.877 -179.428 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.2 m -146.19 149.99 35.0 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.347 -0.846 . . . . 0.0 109.935 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.06 111.26 11.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.094 -1.004 . . . . 0.0 109.257 179.492 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 p -68.63 -9.39 49.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.714 . . . . 0.0 109.986 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.448 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.0 m120 -95.93 -41.57 8.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 0.0 110.702 -179.049 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 17' ' ' THR . 16.0 p -127.33 4.49 6.31 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.968 -1.083 . . . . 0.0 111.23 -177.945 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 57.4 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.159 -0.963 . . . . 0.0 112.149 178.18 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' SG ' ' A' ' 15' ' ' CYS . 4.8 t -66.14 135.88 55.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.477 -1.39 . . . . 0.0 109.666 -179.386 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.575 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -103.46 -10.06 18.86 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.345 -0.847 . . . . 0.0 109.904 -179.758 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.8 m -100.99 121.2 41.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.221 -0.924 . . . . 0.0 108.771 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 t -163.54 145.03 7.38 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.086 -1.009 . . . . 0.0 109.843 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.98 -21.94 10.47 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.285 1.99 . . . . 0.0 112.426 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.512 HD23 HH21 ' A' ' 24' ' ' ARG . 17.7 tp -153.52 121.27 5.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.019 -1.051 . . . . 0.0 110.149 -178.666 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -82.63 128.16 34.07 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.719 -179.481 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.512 HH21 HD23 ' A' ' 22' ' ' LEU . 26.5 mmt180 -106.25 177.28 4.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.375 -0.828 . . . . 0.0 108.855 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -136.09 148.09 48.12 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.319 -0.863 . . . . 0.0 110.111 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' GLU . 15.8 t-20 -89.07 142.63 30.3 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.422 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -4.77 0.15 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 CA-C-N 119.976 1.027 . . . . 0.0 110.916 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -98.3 2.25 47.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.368 -0.832 . . . . 0.0 109.203 179.493 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.24 9.73 75.87 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 121.297 -0.877 . . . . 0.0 111.366 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -89.14 151.09 46.3 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 120.732 -1.451 . . . . 0.0 108.949 179.093 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -83.14 133.54 6.55 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.12 1.88 . . . . 0.0 112.944 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.442 HD22 ' OD1' ' A' ' 14' ' ' ASN . 88.0 mt -128.55 160.03 33.63 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.713 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.48 -168.32 2.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.646 -1.284 . . . . 0.0 107.678 177.532 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.563 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 37.9 p-10 -72.18 -38.97 68.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.641 -1.287 . . . . 0.0 111.232 -179.63 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -52.38 25.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.556 -1.34 . . . . 0.0 111.866 -179.077 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.51 -53.24 58.96 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.581 -1.324 . . . . 0.0 110.684 -178.55 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.98 -47.43 80.09 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.573 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 86.7 mt -69.57 -40.72 76.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.157 -1.202 . . . . 0.0 110.884 -179.797 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 56.0 t80 -78.77 -46.7 18.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.207 -0.933 . . . . 0.0 111.878 -178.633 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.73 -50.06 73.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.037 -1.04 . . . . 0.0 110.574 -177.526 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -60.01 -44.4 94.61 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.923 -1.111 . . . . 0.0 110.468 -179.392 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.08 -32.68 70.87 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.211 -0.931 . . . . 0.0 111.354 -177.863 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.2 m80 -91.27 -32.32 15.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.63 -1.293 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.67 14.32 67.18 Favored Glycine 0 N--CA 1.493 2.493 0 O-C-N 120.564 -1.335 . . . . 0.0 111.308 178.251 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 m -139.7 171.78 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.004 -1.291 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -47.03 148.71 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 109.648 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.497 HH11 HD23 ' A' ' 49' ' ' LEU . 39.6 ttt-85 -111.26 130.09 23.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.755 -0.59 . . . . 0.0 109.635 -179.173 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -70.18 93.01 0.55 Allowed 'Trans proline' 0 C--N 1.315 -1.196 0 C-N-CA 120.961 1.107 . . . . 0.0 110.338 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.497 HD23 HH11 ' A' ' 47' ' ' ARG . 24.0 mt -59.39 -11.98 5.23 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.136 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 t -60.11 -20.2 57.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.607 -0.683 . . . . 0.0 109.484 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -79.83 -17.19 53.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.133 -0.979 . . . . 0.0 109.327 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -53.9 144.56 18.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 0.0 109.078 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.88 155.33 41.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.864 . . . . 0.0 109.242 178.91 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.88 -10.42 57.15 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.3 129.06 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.494 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -119.07 130.81 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.524 -0.735 . . . . 0.0 109.917 -179.326 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -71.52 123.58 22.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.168 -0.957 . . . . 0.0 108.554 179.667 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -90.57 138.25 31.71 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.839 179.816 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 59' ' ' ARG . 35.8 mtt-85 -100.76 170.69 8.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 109.317 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -70.56 -177.6 1.55 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.329 -0.857 . . . . 0.0 110.927 -178.156 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.481 HH11 ' HG2' ' A' ' 61' ' ' ARG . 32.8 mtt-85 -141.55 145.34 34.99 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.408 0.623 . . . . 0.0 109.768 -179.808 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -90.08 108.61 19.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 0.0 109.068 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.6 t -127.89 129.96 47.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.434 -0.791 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.87 -175.48 5.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 108.946 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -55.62 -30.89 61.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.005 -1.059 . . . . 0.0 108.914 179.899 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 117.921 -1.037 . . . . 0.0 109.412 179.861 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.714 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.272 3.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.889 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.939 3.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 C3'-C2'-C1' 106.969 3.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.433 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-N19 110.615 3.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.395 4.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.903 1 O4'-C1'-N19 111.653 4.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 1 O4'-C1'-N19 111.027 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.799 0 O4'-C1'-N19 110.775 3.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.979 3.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 0 O4'-C1'-N19 110.752 3.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.58 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.397 3.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.061 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.882 3.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.31 4.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.45 2.276 1 O4'-C1'-N19 111.227 4.284 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 0 O4'-C1'-N19 110.504 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.158 4.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.179 4.224 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.895 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-N19 110.58 3.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mmm . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.472 0.653 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.21 -43.93 98.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.546 -0.721 . . . . 0.0 109.787 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -152.32 169.1 23.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.196 -0.94 . . . . 0.0 109.153 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.35 -143.92 10.76 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -58.87 -24.17 61.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.437 -1.037 . . . . 0.0 109.235 -179.827 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -49.39 149.12 2.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.185 -0.947 . . . . 0.0 109.536 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.44 ' O ' ' O ' ' A' ' 8' ' ' GLY . 40.4 p-10 -59.99 -157.42 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.371 -0.831 . . . . 0.0 110.877 -178.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 7' ' ' ASN . . . -32.85 152.73 0.01 OUTLIER Glycine 0 N--CA 1.498 2.832 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.363 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.45 -94.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.764 2.309 . . . . 0.0 113.7 -179.431 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.0 m -61.92 121.34 12.7 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.325 -0.859 . . . . 0.0 111.711 -177.567 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 m -147.15 133.67 19.77 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.554 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.13 108.94 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.617 -1.302 . . . . 0.0 109.472 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.2 p -68.14 -8.8 41.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.478 -0.764 . . . . 0.0 109.39 179.472 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 49' ' ' LEU . 10.1 m-20 -96.16 -40.29 9.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.286 -0.884 . . . . 0.0 110.852 -179.07 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.627 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.5 p -133.49 11.68 4.11 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.704 -1.247 . . . . 0.0 111.354 -178.483 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 54.22 1.84 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.887 -1.133 . . . . 0.0 112.89 177.8 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.627 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.6 t -62.46 131.37 48.94 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.073 -1.642 . . . . 0.0 109.61 -178.814 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -102.18 -11.25 18.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.453 -0.779 . . . . 0.0 109.829 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -104.75 123.3 47.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.402 -0.811 . . . . 0.0 109.25 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.38 149.71 8.82 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.071 -1.018 . . . . 0.0 109.722 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.37 -21.79 10.05 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.28 1.987 . . . . 0.0 112.397 179.2 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 HH21 ' A' ' 24' ' ' ARG . 52.8 tp -152.28 120.26 6.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -178.34 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.47 128.53 33.98 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.516 HH21 HD23 ' A' ' 22' ' ' LEU . 26.6 mmt180 -103.98 170.89 7.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.51 -0.744 . . . . 0.0 109.156 -178.857 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -129.95 146.99 51.66 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.322 -0.862 . . . . 0.0 109.226 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.59 HD22 ' H ' ' A' ' 28' ' ' GLU . 2.2 t30 -85.72 139.94 35.5 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 0.0 109.087 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.71 -15.81 0.1 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.576 1.517 . . . . 0.0 112.209 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' H ' HD22 ' A' ' 26' ' ' ASN . 47.2 mt-10 -100.28 9.99 41.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 -179.46 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 12.89 74.33 Favored Glycine 0 N--CA 1.493 2.475 0 O-C-N 121.263 -0.898 . . . . 0.0 111.596 178.895 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -92.65 140.3 23.82 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 120.544 -1.562 . . . . 0.0 108.652 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.19 140.48 30.95 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.157 1.905 . . . . 0.0 113.904 -179.362 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.421 HD22 ' ND2' ' A' ' 14' ' ' ASN . 92.1 mt -135.21 159.96 39.89 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.516 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 31.2 p -87.61 -135.45 0.09 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.254 -1.529 . . . . 0.0 109.109 178.462 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.65 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.4 p-10 -83.73 -76.93 0.27 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.312 -0.867 . . . . 0.0 111.821 -179.249 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.65 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.72 -30.42 71.4 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.215 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.2 m -58.71 -57.95 10.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 119.868 -1.77 . . . . 0.0 110.492 -178.43 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.7 -41.43 97.47 Favored Glycine 0 N--CA 1.492 2.398 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.189 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 32.7 mt -69.5 -41.12 76.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.992 -1.299 . . . . 0.0 110.899 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CZ ' ' CD2' ' A' ' 43' ' ' HIS . 30.0 t80 -80.1 -45.11 18.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 110.9 -179.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.59 -53.51 56.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.385 -0.822 . . . . 0.0 110.152 -177.741 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.02 -46.6 88.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.063 -1.023 . . . . 0.0 110.811 -179.563 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.95 -33.25 71.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.102 -0.999 . . . . 0.0 111.076 -178.305 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 67.2 m80 -89.76 -29.94 18.35 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.809 -1.182 . . . . 0.0 110.861 -178.21 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.28 13.61 73.64 Favored Glycine 0 N--CA 1.491 2.366 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.566 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.54 143.5 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.992 -1.299 . . . . 0.0 109.573 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 27.3 m -53.55 117.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.837 . . . . 0.0 109.897 -179.241 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -70.07 137.13 87.07 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.507 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -55.92 106.17 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 N-CA-C 109.028 -1.182 . . . . 0.0 109.028 178.214 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 14' ' ' ASN . 47.1 mt -58.53 -9.8 1.85 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.517 -0.74 . . . . 0.0 109.594 -178.584 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.7 m -61.94 -14.15 31.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.231 -0.918 . . . . 0.0 110.007 179.827 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.71 -9.12 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 109.27 -179.506 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -51.26 137.55 22.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.051 -1.031 . . . . 0.0 110.154 -178.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.23 149.96 35.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.22 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -87.62 -8.59 56.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.491 -0.756 . . . . 0.0 109.643 -179.768 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.46 129.19 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.466 -0.771 . . . . 0.0 109.198 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.5 mt -117.93 137.17 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.51 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -71.27 121.45 18.46 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.799 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -84.34 130.31 34.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.247 -0.908 . . . . 0.0 109.482 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' HG3' HH11 ' A' ' 59' ' ' ARG . 27.1 mmm-85 -96.57 167.29 11.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.947 -1.096 . . . . 0.0 109.07 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -77.36 -168.65 1.19 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.921 -178.522 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -140.71 141.17 34.96 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.481 -0.762 . . . . 0.0 109.508 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.78 136.84 32.79 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.262 -0.899 . . . . 0.0 109.967 179.617 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 p -130.1 140.16 50.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.587 -0.696 . . . . 0.0 109.291 179.404 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.96 129.96 51.57 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.646 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -92.66 124.58 36.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.107 -0.996 . . . . 0.0 109.557 -179.608 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.321 -179.665 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.844 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.458 0 O4'-C1'-N19 110.269 3.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.605 4.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.055 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 C3'-C2'-C1' 106.917 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.448 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.543 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.113 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.858 1 O4'-C1'-N19 111.441 4.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.098 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.544 3.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.662 3.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 111.233 4.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.542 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.882 3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.961 3.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.527 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.543 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.061 0 O4'-C1'-N19 110.673 3.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.097 1 O4'-C1'-N19 111.608 4.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 1 O4'-C1'-N19 111.732 4.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.09 4.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.647 3.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.985 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.3 tttp 51.97 -102.66 0.13 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.107 -0.995 . . . . 0.0 110.07 179.473 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -94.94 124.35 38.94 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.866 -1.146 . . . . 0.0 109.309 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.4 -173.05 3.97 Favored Glycine 0 N--CA 1.487 2.054 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.426 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -172.04 50.19 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.326 -1.102 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.478 ' HG3' ' H ' ' A' ' 8' ' ' GLY . 51.9 tp60 -140.32 132.65 28.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.433 -0.792 . . . . 0.0 108.944 -179.409 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -99.47 5.28 46.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.282 -0.886 . . . . 0.0 109.111 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.478 ' H ' ' HG3' ' A' ' 6' ' ' GLN . . . -72.74 159.52 53.66 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.438 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.68 -153.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.584 2.189 . . . . 0.0 111.345 179.437 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 m -56.04 124.57 18.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.94 -1.1 . . . . 0.0 109.36 -179.327 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.2 m -140.22 137.65 34.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.453 -0.779 . . . . 0.0 109.528 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -67.4 110.76 3.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 109.569 179.73 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.9 p -69.04 -9.52 52.94 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.745 -0.597 . . . . 0.0 109.701 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.648 ' ND2' HD22 ' A' ' 32' ' ' LEU . 66.5 m-20 -94.86 -42.42 8.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.226 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.2 p -130.36 4.73 4.75 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.964 -1.085 . . . . 0.0 111.236 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 57.93 3.98 0.26 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.986 . . . . 0.0 112.399 177.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.641 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -64.67 132.42 49.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.165 -1.585 . . . . 0.0 110.111 -178.669 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -99.51 -9.9 22.76 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.42 -0.8 . . . . 0.0 109.449 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.6 m -100.88 118.51 37.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.202 -0.936 . . . . 0.0 108.978 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -163.11 141.33 6.32 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 110.07 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.99 -20.64 19.19 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.054 1.836 . . . . 0.0 112.554 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' NH2' ' A' ' 24' ' ' ARG . 53.1 tp -154.92 122.42 5.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.841 -1.162 . . . . 0.0 109.978 -178.855 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.12 128.67 33.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.549 -0.719 . . . . 0.0 109.126 -179.465 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.603 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.6 mmt180 -109.12 176.8 4.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.611 -0.681 . . . . 0.0 109.75 -178.549 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.59 152.35 49.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.075 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.7 t30 -89.72 142.33 29.14 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.588 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -45.24 -10.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.33 1.353 . . . . 0.0 111.547 178.091 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.9 mt-10 -98.43 6.03 47.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.307 -0.871 . . . . 0.0 109.786 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.15 80.85 Favored Glycine 0 N--CA 1.492 2.388 0 O-C-N 121.267 -0.896 . . . . 0.0 111.174 179.652 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -87.13 145.23 37.64 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 120.673 -1.486 . . . . 0.0 108.386 178.902 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.08 132.51 9.46 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.093 1.862 . . . . 0.0 112.683 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 ' ND2' ' A' ' 14' ' ' ASN . 83.3 mt -128.14 160.68 31.27 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.101 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.6 p -82.97 -143.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.34 -1.475 . . . . 0.0 108.531 178.577 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.4 p-10 -80.75 -69.87 0.57 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.059 -1.025 . . . . 0.0 111.742 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.71 -36.1 81.86 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.797 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.5 m -57.65 -56.29 23.78 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 119.93 -1.731 . . . . 0.0 110.341 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 -44.25 97.11 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 62.5 mt -67.74 -40.22 84.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -1.176 . . . . 0.0 109.861 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 91.0 t80 -74.57 -52.19 12.5 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.849 -0.532 . . . . 0.0 111.562 -178.868 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.43 -50.27 74.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.959 -1.088 . . . . 0.0 109.927 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.93 -47.88 83.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.006 -1.059 . . . . 0.0 110.811 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.1 -33.59 73.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 111.324 -177.792 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 65.3 m80 -88.95 -32.06 17.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.626 -1.296 . . . . 0.0 111.021 -178.511 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.72 10.55 8.48 Favored Glycine 0 N--CA 1.495 2.573 0 O-C-N 120.695 -1.253 . . . . 0.0 111.406 178.486 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.02 140.67 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.904 -1.351 . . . . 0.0 109.963 179.528 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -59.81 138.91 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.615 -0.678 . . . . 0.0 109.689 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 47' ' ' ARG . 1.1 ttt-85 -153.5 137.01 10.26 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 108.503 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 16.1 Cg_exo -30.64 111.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 122.757 2.304 . . . . 0.0 113.667 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.89 -8.95 3.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.5 p -59.38 -11.06 3.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.402 -0.812 . . . . 0.0 109.563 -179.448 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.2 mt -70.57 -30.08 66.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 0.0 108.584 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 8.9 tmtm? -58.48 158.47 7.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 109.62 179.814 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.503 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -142.29 147.48 36.47 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.089 -1.007 . . . . 0.0 110.04 178.872 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -89.58 -4.16 57.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.539 -0.726 . . . . 0.0 109.605 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.02 121.65 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -114.88 130.02 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -81.73 137.78 35.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.225 -0.922 . . . . 0.0 108.634 179.606 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.85 128.79 34.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.779 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -101.45 170.87 7.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.29 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.11 172.78 4.27 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.961 0.886 . . . . 0.0 111.283 -177.163 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -149.1 165.49 31.58 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.52 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -89.27 100.64 13.39 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.092 -1.005 . . . . 0.0 109.104 179.382 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 p -104.14 0.77 29.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.486 -0.759 . . . . 0.0 110.212 -179.464 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 149.06 39.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.126 -0.984 . . . . 0.0 110.535 -178.905 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' SER . 36.6 p-10 -70.7 -21.46 62.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.48 -0.763 . . . . 0.0 109.935 179.714 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ASN . 52.0 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.386 -179.468 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.753 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.257 3.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 0 O4'-C1'-N19 110.469 3.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 111.226 4.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 C3'-C2'-C1' 106.834 2.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.454 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.424 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.576 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.193 0 O4'-C1'-N19 110.716 3.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.372 1 O4'-C1'-N19 111.859 5.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.015 1 O4'-C1'-N19 111.177 4.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.278 0 O4'-C1'-N19 110.773 3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.341 1 O4'-C1'-N19 111.143 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.421 0 O4'-C1'-N19 110.598 3.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.555 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.196 4.245 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.252 4.315 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.088 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.425 1 O4'-C1'-N19 111.425 4.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.493 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.538 3.435 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 1 O4'-C1'-N19 111.568 4.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.576 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.41 0 O4'-C1'-N19 110.779 3.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 0 O4'-C1'-N19 110.413 3.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 C3'-C2'-C1' 107.115 3.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-N19 110.385 3.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.994 0 O4'-C1'-N19 110.548 3.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.344 0.592 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -68.14 -40.22 82.46 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.316 -0.865 . . . . 0.0 110.054 -179.578 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.43 160.83 23.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.432 -0.793 . . . . 0.0 109.551 179.633 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.71 -28.22 6.26 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.021 -1.631 . . . . 0.0 109.021 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.55 128.41 36.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -1.139 . . . . 0.0 109.073 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.73 -45.37 77.97 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.884 -1.135 . . . . 0.0 110.213 -178.779 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -63.68 132.36 50.82 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.02 -1.05 . . . . 0.0 109.929 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.463 ' H ' ' HD2' ' A' ' 9' ' ' PRO . . . -153.76 -60.09 0.01 OUTLIER Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' H ' ' A' ' 8' ' ' GLY . 72.4 Cg_exo -49.75 -172.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.678 2.252 . . . . 0.0 112.771 -179.182 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.1 m -65.83 118.61 9.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.378 -0.826 . . . . 0.0 110.127 -178.848 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -141.68 147.14 37.02 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.333 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.0 t -72.84 110.0 6.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.024 -1.048 . . . . 0.0 108.398 179.442 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 p -67.9 -9.33 44.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 110.098 -179.49 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -98.15 -40.13 8.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.824 . . . . 0.0 110.996 -179.434 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.604 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.1 p -129.1 4.81 5.3 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.787 -1.196 . . . . 0.0 111.522 -177.727 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 57.78 4.27 0.26 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.209 -0.932 . . . . 0.0 112.579 177.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.604 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -65.82 128.14 34.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.285 -1.51 . . . . 0.0 109.638 -178.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -98.27 -15.35 19.84 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.51 -0.744 . . . . 0.0 109.369 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -100.52 122.48 43.29 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.225 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -164.8 149.47 8.15 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.167 -0.958 . . . . 0.0 109.372 -179.553 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.47 -21.25 10.34 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.993 1.795 . . . . 0.0 112.828 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' NH2' ' A' ' 24' ' ' ARG . 20.4 tp -155.96 125.69 6.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.98 -1.075 . . . . 0.0 110.063 -179.261 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -84.79 129.62 34.79 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.647 0.737 . . . . 0.0 109.679 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.8 mmt180 -109.58 176.92 4.9 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.898 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -140.78 148.2 40.27 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.888 -179.764 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.558 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.1 t30 -87.12 142.67 33.9 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.405 -0.809 . . . . 0.0 108.938 179.852 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.27 -8.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.472 1.448 . . . . 0.0 112.265 178.897 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.4 mt-10 -92.66 4.99 52.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.221 -0.924 . . . . 0.0 108.82 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.2 85.82 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.05 146.35 38.28 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.331 -1.1 . . . . 0.0 108.708 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.34 138.85 14.28 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.511 1.474 . . . . 0.0 114.084 -178.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -131.74 160.05 36.65 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.896 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.9 p -83.92 -143.68 0.08 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.24 -1.537 . . . . 0.0 108.981 178.343 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 35.4 p-10 -80.2 -69.16 0.61 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 0.0 110.983 -179.518 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.35 -39.58 91.11 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.514 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.8 m -56.0 -54.38 45.54 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 119.923 -1.736 . . . . 0.0 110.053 -178.383 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.31 -43.66 98.76 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.523 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.425 ' CD2' ' H62' ' B' ' 106' ' ' ' DA' . 49.7 mt -68.0 -39.39 83.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.023 -1.281 . . . . 0.0 109.984 179.793 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 47.4 t80 -78.94 -49.87 12.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.352 -0.843 . . . . 0.0 111.366 -178.624 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.81 -49.98 75.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.219 -0.926 . . . . 0.0 110.451 -177.773 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -59.82 -49.58 77.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.088 -1.007 . . . . 0.0 110.295 -179.296 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.97 -34.1 72.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.106 -0.996 . . . . 0.0 111.435 -178.762 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.6 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -87.84 -37.05 16.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.439 -1.413 . . . . 0.0 110.037 -178.357 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.86 10.18 12.81 Favored Glycine 0 N--CA 1.488 2.152 0 C-N-CA 120.052 -1.07 . . . . 0.0 111.098 178.294 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.29 141.9 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.93 -1.335 . . . . 0.0 110.084 179.449 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.69 144.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.517 0.675 . . . . 0.0 110.139 -179.56 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.8 tpp180 -154.7 133.25 6.99 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -179.824 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 33.2 Cg_exo -33.88 105.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.334 2.023 . . . . 0.0 112.444 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.25 -11.59 10.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.5 p -59.33 -10.01 2.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.471 -0.768 . . . . 0.0 110.059 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.8 -39.62 73.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.092 -1.005 . . . . 0.0 108.691 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -54.16 170.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.214 -0.928 . . . . 0.0 109.338 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -147.49 157.3 43.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.132 -0.98 . . . . 0.0 110.22 179.04 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -87.11 -0.84 57.3 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.715 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.34 129.95 68.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.311 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -124.41 134.88 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 109.537 -179.022 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -83.76 139.52 32.67 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.082 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -83.51 130.84 35.02 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.932 -1.105 . . . . 0.0 109.577 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.41 ' NH1' ' HG3' ' A' ' 59' ' ' ARG . 19.0 mmm-85 -98.07 166.56 11.37 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.813 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.47 -169.14 1.13 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.183 -0.948 . . . . 0.0 111.593 -178.134 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HG3' HH11 ' A' ' 61' ' ' ARG . 31.6 mtm-85 -132.6 151.75 51.85 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.335 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -153.58 156.56 38.22 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.096 -1.002 . . . . 0.0 109.191 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.3 p -116.94 153.94 31.72 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.652 -0.655 . . . . 0.0 109.478 -179.689 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.93 92.37 6.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 0.0 108.958 179.308 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -143.36 152.02 41.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.298 -0.876 . . . . 0.0 109.363 -179.754 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.373 179.415 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m -127.92 131.32 49.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.25 -0.906 . . . . 0.0 110.263 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 12.0 t -80.26 113.47 18.46 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -66.59 -11.55 53.84 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.333 -0.855 . . . . 0.0 111.021 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.447 ' ND2' HD22 ' A' ' 32' ' ' LEU . 45.0 m-20 -96.83 -39.58 9.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.971 -1.081 . . . . 0.0 110.111 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.661 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.6 p -132.23 0.02 3.72 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.877 -1.14 . . . . 0.0 111.565 -177.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 60.02 6.15 0.89 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.94 -1.1 . . . . 0.0 112.212 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.661 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.5 t -66.11 133.36 50.57 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.22 -1.55 . . . . 0.0 109.69 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -102.6 -4.91 24.5 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.7 m -103.01 113.62 27.25 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.646 ' CB ' HD22 ' A' ' 34' ' ' ASN . 1.8 t -163.73 146.42 7.78 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.824 . . . . 0.0 109.412 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -79.31 -18.84 10.79 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.413 2.076 . . . . 0.0 111.843 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD23 ' NH2' ' A' ' 24' ' ' ARG . 35.5 tp -152.94 125.14 8.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -83.67 127.69 33.96 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.276 0.56 . . . . 0.0 109.87 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.53 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.9 mmt180 -109.27 171.62 7.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.562 -0.712 . . . . 0.0 109.56 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.98 153.99 47.03 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.276 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.3 t-20 -93.61 139.29 22.77 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.293 -0.88 . . . . 0.0 109.105 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.22 -7.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.683 1.588 . . . . 0.0 112.212 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 40.2 mt-10 -97.89 3.35 49.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.18 14.59 68.71 Favored Glycine 0 N--CA 1.495 2.574 0 O-C-N 121.46 -0.775 . . . . 0.0 111.866 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -93.79 137.01 23.32 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.733 -1.451 . . . . 0.0 108.923 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.2 135.53 20.84 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.808 1.672 . . . . 0.0 112.389 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.447 HD22 ' ND2' ' A' ' 14' ' ' ASN . 91.5 mt -130.91 160.7 33.71 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.4 p -86.9 -138.87 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.511 -1.368 . . . . 0.0 109.247 178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.646 HD22 ' CB ' ' A' ' 20' ' ' THR . 2.0 p30 -82.81 -71.66 0.48 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.744 -1.223 . . . . 0.0 111.645 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.485 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.81 -33.73 76.32 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.6 m -57.03 -55.92 28.4 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.105 -1.622 . . . . 0.0 110.293 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.44 95.06 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.34 -43.98 80.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -1.17 . . . . 0.0 111.308 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 48.3 t80 -78.93 -49.56 12.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 112.073 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.3 -49.4 77.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.98 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -59.93 -41.95 92.88 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.932 -1.105 . . . . 0.0 110.594 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.35 -30.06 66.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 55.9 m80 -92.46 -29.86 16.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.816 -1.177 . . . . 0.0 110.703 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 12.46 38.23 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.96 142.09 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 120.947 -1.325 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 m -62.63 145.19 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.545 -0.722 . . . . 0.0 110.186 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.598 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -145.5 137.18 12.95 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 50' ' ' SER . 56.0 Cg_exo -34.52 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.289 1.993 . . . . 0.0 113.664 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LYS . 95.1 mt -63.92 -3.27 2.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 48' ' ' PRO . 8.2 p -52.56 -12.31 0.27 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 49' ' ' LEU . 88.4 mt -77.74 3.18 14.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' LEU . 26.1 tptp -58.0 128.17 35.75 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.682 0.753 . . . . 0.0 109.629 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.61 142.92 30.5 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.804 0.812 . . . . 0.0 109.711 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 94.0 m-20 -92.65 -3.71 54.5 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.61 125.15 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.83 . . . . 0.0 109.275 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -72.62 127.68 33.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.942 . . . . 0.0 109.164 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -88.13 134.17 33.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.199 -0.938 . . . . 0.0 109.85 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -98.93 172.1 7.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.281 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.21 -177.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -140.28 150.65 44.31 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.418 -0.801 . . . . 0.0 109.524 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -73.4 108.16 6.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.11 -0.994 . . . . 0.0 109.07 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.4 p -66.49 -9.98 39.94 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.521 -0.737 . . . . 0.0 109.176 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.503 ' ND2' HD22 ' A' ' 32' ' ' LEU . 24.3 m-20 -96.5 -40.02 9.27 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.28 -0.888 . . . . 0.0 110.81 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.616 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.1 p -133.7 5.74 3.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.859 -1.151 . . . . 0.0 111.217 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 55.7 3.89 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 112.24 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.616 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -62.48 131.39 49.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.096 -1.628 . . . . 0.0 109.272 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -98.66 -7.85 27.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.441 -0.787 . . . . 0.0 109.46 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -101.59 116.12 32.04 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.995 -1.066 . . . . 0.0 109.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -162.61 144.41 8.08 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 120.973 -1.08 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.3 -18.67 10.91 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.177 1.918 . . . . 0.0 111.832 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD23 HH21 ' A' ' 24' ' ' ARG . 13.8 tp -154.31 121.77 5.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.167 -0.958 . . . . 0.0 110.302 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -81.04 126.5 31.5 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.481 HH21 HD23 ' A' ' 22' ' ' LEU . 28.4 mmt180 -109.33 175.22 5.53 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -141.26 157.73 44.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.274 -0.891 . . . . 0.0 109.591 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.8 t30 -91.21 142.7 27.43 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -45.99 -7.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.093 1.195 . . . . 0.0 111.821 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -100.33 2.82 42.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -0.957 . . . . 0.0 109.977 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.81 20.97 57.06 Favored Glycine 0 N--CA 1.494 2.508 0 O-C-N 121.152 -0.967 . . . . 0.0 111.42 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -96.5 112.24 59.45 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.773 -1.428 . . . . 0.0 108.837 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -49.55 133.65 32.09 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.961 1.774 . . . . 0.0 113.634 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.503 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.0 mt -130.66 159.99 35.58 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.5 p -86.16 -137.81 0.08 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.31 -1.494 . . . . 0.0 108.598 178.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 3.5 p30 -83.21 -70.66 0.54 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.623 -1.298 . . . . 0.0 111.77 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.482 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.86 -32.65 74.45 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -56.81 -52.53 64.7 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.106 -1.621 . . . . 0.0 110.207 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.98 -44.39 61.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.083 -1.056 . . . . 0.0 110.793 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.72 -41.26 88.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.388 . . . . 0.0 110.258 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.657 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -71.72 -51.8 21.0 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.966 -1.084 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.53 -49.48 76.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.108 -0.995 . . . . 0.0 109.212 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.6 -47.81 84.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 109.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.47 -33.92 71.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.325 -0.859 . . . . 0.0 112.128 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.657 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 67.1 m80 -93.76 -31.37 14.43 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.63 -1.294 . . . . 0.0 110.824 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.11 48.29 74.98 Favored Glycine 0 N--CA 1.494 2.546 0 O-C-N 120.823 -1.173 . . . . 0.0 110.945 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' VAL . 15.5 m -140.97 157.31 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.018 -1.284 . . . . 0.0 110.203 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' VAL . 13.0 m -37.4 119.22 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-O 122.652 1.215 . . . . 0.0 110.841 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -41.52 102.52 0.27 Allowed Pre-proline 0 N--CA 1.492 1.638 0 CA-C-N 114.242 -1.345 . . . . 0.0 113.561 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -94.11 83.47 0.15 Allowed 'Trans proline' 0 N--CA 1.488 1.152 0 C-N-CA 122.927 2.418 . . . . 0.0 110.383 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.41 -23.17 67.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.85 . . . . 0.0 110.685 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.8 p -53.28 -29.98 36.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.077 -1.014 . . . . 0.0 111.132 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.45 -21.36 53.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.663 -1.273 . . . . 0.0 109.715 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -59.31 156.89 11.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.982 -1.074 . . . . 0.0 109.617 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.0 149.71 40.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.264 -0.897 . . . . 0.0 108.974 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.5 -5.32 57.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.612 -0.68 . . . . 0.0 109.411 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.07 129.92 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -122.7 135.31 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 CA-C-O 121.595 0.712 . . . . 0.0 109.792 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -81.53 132.44 35.31 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -83.26 130.23 35.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.254 -0.904 . . . . 0.0 109.034 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' A' ' 59' ' ' ARG . 22.2 mmm-85 -98.31 172.05 7.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.081 -1.012 . . . . 0.0 109.66 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 p30 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 0.0 111.174 -177.649 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 N--CA 1.494 1.767 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -143.83 145.03 32.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.147 -0.971 . . . . 0.0 109.441 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.7 t -70.35 110.82 5.51 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.028 -1.045 . . . . 0.0 108.389 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.4 p -66.74 -10.08 43.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.562 -0.711 . . . . 0.0 109.463 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.456 ' ND2' HD22 ' A' ' 32' ' ' LEU . 30.5 m-20 -96.47 -41.83 8.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.543 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.534 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.4 p -129.17 3.57 5.22 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.809 -1.182 . . . . 0.0 111.714 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 61.02 3.52 0.68 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.125 -0.984 . . . . 0.0 112.61 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.534 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.1 t -64.92 132.8 50.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.359 -1.463 . . . . 0.0 109.756 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -98.66 -12.22 21.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.487 -0.758 . . . . 0.0 109.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -99.98 121.95 42.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -0.977 . . . . 0.0 110.305 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -163.97 144.75 6.82 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 109.942 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.67 -17.48 11.11 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.013 1.809 . . . . 0.0 111.327 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD23 ' NH2' ' A' ' 24' ' ' ARG . 37.0 tp -152.65 128.85 10.47 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 122.002 0.906 . . . . 0.0 109.801 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -88.22 125.36 34.6 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.488 0.661 . . . . 0.0 109.559 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.507 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.2 mmt180 -107.08 174.31 5.94 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HG3' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -140.95 150.95 43.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.124 -0.985 . . . . 0.0 108.995 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.9 t-20 -90.97 140.58 26.12 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 108.798 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -42.96 -9.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.779 1.653 . . . . 0.0 112.457 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.2 mt-10 -96.17 2.53 53.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 108.959 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 7.96 83.35 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -85.24 137.73 36.95 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 120.602 -1.528 . . . . 0.0 107.771 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.07 134.21 15.84 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.073 1.849 . . . . 0.0 112.835 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD22 ' ND2' ' A' ' 14' ' ' ASN . 71.8 mt -124.1 160.03 28.67 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.7 p -82.19 -144.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.341 -1.474 . . . . 0.0 108.226 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.744 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.1 p-10 -80.87 -65.71 0.98 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.125 -0.984 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.744 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.96 -39.22 93.64 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.6 m -58.23 -52.27 66.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.729 -1.857 . . . . 0.0 109.619 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.46 -45.0 95.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.497 HD21 ' CZ ' ' A' ' 24' ' ' ARG . 56.7 mt -68.75 -40.66 79.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.102 -1.234 . . . . 0.0 111.338 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.63 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.0 t80 -77.82 -48.07 17.38 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.123 -0.985 . . . . 0.0 111.286 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.18 -48.93 79.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 110.531 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.08 -40.42 89.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.955 -1.091 . . . . 0.0 109.559 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.16 -35.17 73.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.947 . . . . 0.0 111.551 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.63 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 45.5 m80 -92.37 -33.18 14.67 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.562 -1.336 . . . . 0.0 111.212 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.89 10.88 56.93 Favored Glycine 0 N--CA 1.491 2.319 0 O-C-N 120.641 -1.287 . . . . 0.0 111.1 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.66 145.74 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 120.757 -1.437 . . . . 0.0 110.367 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -49.89 153.41 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -0.928 . . . . 0.0 109.023 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -151.77 136.62 10.45 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.132 -0.98 . . . . 0.0 108.971 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -35.48 96.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.116 1.877 . . . . 0.0 113.358 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 51' ' ' LEU . 83.7 mt -59.15 -15.6 15.42 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.7 m -56.7 -5.82 0.26 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.6 -0.687 . . . . 0.0 109.68 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' A' ' 49' ' ' LEU . 89.5 mt -77.73 -19.54 55.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.138 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -53.08 150.55 5.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 109.617 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 t -149.63 158.27 44.02 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.578 -0.701 . . . . 0.0 109.424 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -88.08 -6.89 57.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.515 -0.741 . . . . 0.0 110.259 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -112.32 130.69 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.357 -0.839 . . . . 0.0 109.447 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.55 133.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.728 -0.608 . . . . 0.0 110.27 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.1 130.04 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -82.49 130.24 35.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.835 . . . . 0.0 109.901 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -96.37 158.43 15.44 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.866 0.841 . . . . 0.0 109.225 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 . . . . . 0 C--N 1.302 -1.485 0 CA-C-O 121.626 0.727 . . . . 0.0 110.191 -179.112 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.446 0.641 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.0 m -143.86 134.43 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.377 -0.827 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.4 t -64.37 109.22 1.85 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.779 -1.201 . . . . 0.0 108.988 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -67.51 -9.99 47.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.704 -0.623 . . . . 0.0 110.174 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -98.79 -40.01 8.34 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.917 . . . . 0.0 110.937 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.1 p -130.46 4.62 4.7 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.918 -1.114 . . . . 0.0 110.533 -178.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 56.13 5.27 0.16 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 113.039 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.7 t -62.31 129.76 42.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.017 -1.677 . . . . 0.0 109.265 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -98.38 -4.93 33.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.422 -0.799 . . . . 0.0 110.148 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -111.21 121.31 44.96 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.381 -0.825 . . . . 0.0 109.34 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.04 147.68 6.91 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.913 -1.117 . . . . 0.0 109.921 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.22 -18.3 12.73 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.03 1.82 . . . . 0.0 112.076 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.504 HD23 ' NH2' ' A' ' 24' ' ' ARG . 29.5 tp -154.07 128.05 8.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.248 -0.908 . . . . 0.0 110.182 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -88.04 127.77 35.4 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.388 0.614 . . . . 0.0 110.016 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.504 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.9 mmt180 -109.41 176.3 5.13 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 25' ' ' ARG . 10.6 ptt-85 -137.39 151.28 48.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLU . 7.8 t-20 -86.88 141.81 33.77 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.364 -0.835 . . . . 0.0 108.956 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.53 -11.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.314 1.343 . . . . 0.0 111.884 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.2 mt-10 -99.71 6.38 45.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.383 -0.823 . . . . 0.0 109.745 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.47 15.75 70.47 Favored Glycine 0 N--CA 1.492 2.379 0 O-C-N 121.309 -0.87 . . . . 0.0 111.245 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -91.9 114.63 62.63 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 120.654 -1.497 . . . . 0.0 109.297 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.31 132.55 24.09 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.852 1.701 . . . . 0.0 112.814 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD11 HD22 ' A' ' 26' ' ' ASN . 84.8 mt -127.38 159.84 33.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.3 p -84.19 -140.39 0.07 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.4 -1.437 . . . . 0.0 108.836 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -82.11 -70.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 112.046 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -33.73 75.97 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 113.613 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.17 -56.59 19.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.162 -1.587 . . . . 0.0 110.258 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.73 -41.98 99.76 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.88 -40.16 83.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.098 -1.236 . . . . 0.0 110.988 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 43.1 t80 -80.73 -46.87 14.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 111.721 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.411 HD23 HD21 ' A' ' 26' ' ' ASN . 8.0 tp -60.91 -50.04 75.01 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.101 -1.0 . . . . 0.0 110.19 -177.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 3.1 ttmp? -59.92 -49.08 79.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.014 -1.054 . . . . 0.0 110.271 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.96 -32.49 70.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.234 -0.916 . . . . 0.0 111.375 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 73.8 m80 -93.91 -38.2 11.32 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.644 -1.285 . . . . 0.0 111.415 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.73 60.53 Favored Glycine 0 N--CA 1.492 2.416 0 O-C-N 120.555 -1.34 . . . . 0.0 111.524 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.08 163.97 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.865 -1.373 . . . . 0.0 109.899 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.6 m -51.36 145.41 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.153 -0.967 . . . . 0.0 109.379 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 49' ' ' LEU . 5.4 ttm180 -130.37 112.31 16.74 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.739 -0.6 . . . . 0.0 109.769 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 50' ' ' SER . 71.2 Cg_exo -47.51 96.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 120.936 1.09 . . . . 0.0 110.011 177.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ARG . 90.0 mt -56.25 -10.48 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.224 -0.923 . . . . 0.0 108.763 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 48' ' ' PRO . 20.6 m -59.93 -10.82 4.47 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.71 -29.01 61.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -50.89 147.85 4.65 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.882 . . . . 0.0 110.185 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.39 158.35 44.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.426 -0.797 . . . . 0.0 109.679 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -85.76 -10.46 55.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.95 128.54 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.229 -0.92 . . . . 0.0 109.415 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.5 mt -120.68 134.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -70.79 120.67 16.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.089 -1.007 . . . . 0.0 108.947 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -83.44 134.9 34.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HG3' HH11 ' A' ' 59' ' ' ARG . 17.8 mmm-85 -102.37 167.54 9.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.35 -178.698 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -139.26 146.96 41.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.328 -0.857 . . . . 0.0 109.442 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.8 t -75.42 111.0 10.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.153 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.6 p -69.0 -10.62 58.43 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.717 -0.614 . . . . 0.0 110.579 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -97.36 -39.25 9.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.025 -1.047 . . . . 0.0 110.678 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.668 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.3 p -129.59 6.14 5.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.928 -1.107 . . . . 0.0 111.173 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 56.39 1.41 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.103 -0.998 . . . . 0.0 112.561 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.668 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -63.65 130.92 46.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.27 -1.519 . . . . 0.0 109.332 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -102.55 -6.32 22.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -102.91 117.93 35.71 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.81 148.75 6.67 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 109.948 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.1 -17.6 13.37 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.037 1.825 . . . . 0.0 112.226 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.525 HD23 ' NH2' ' A' ' 24' ' ' ARG . 22.1 tp -156.91 122.26 4.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.971 -1.081 . . . . 0.0 110.889 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -79.99 128.1 33.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.1 mmt180 -108.36 173.33 6.37 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -140.04 149.58 43.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.516 -0.74 . . . . 0.0 109.176 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.5 t30 -87.89 140.95 31.22 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -47.2 -6.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.177 1.251 . . . . 0.0 112.002 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' ASN . 66.8 mm-40 -101.64 -0.36 34.84 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.325 -0.859 . . . . 0.0 109.557 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 23.3 38.58 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.281 -0.887 . . . . 0.0 111.287 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.56 111.67 60.65 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 120.842 -1.387 . . . . 0.0 108.648 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.53 131.28 32.24 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 121.922 1.748 . . . . 0.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -129.78 159.47 36.43 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.14 -140.45 0.06 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.384 -1.448 . . . . 0.0 108.732 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 21.9 p-10 -81.84 -69.91 0.58 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 111.667 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -65.56 -33.31 75.61 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -55.62 -55.71 28.9 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 119.957 -1.714 . . . . 0.0 109.888 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -41.39 97.33 Favored Glycine 0 N--CA 1.489 2.226 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.781 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.88 -40.01 79.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.874 -1.368 . . . . 0.0 111.007 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 19.7 t80 -80.74 -42.19 22.28 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.012 -1.055 . . . . 0.0 111.004 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.5 -53.31 56.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.193 -0.942 . . . . 0.0 110.406 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.07 -40.8 90.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.907 -1.121 . . . . 0.0 110.578 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.99 -30.63 68.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.077 -1.014 . . . . 0.0 111.092 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CZ ' ' A' ' 39' ' ' PHE . 69.1 m80 -98.38 -21.62 16.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.762 -1.211 . . . . 0.0 110.516 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.06 9.36 40.66 Favored Glycine 0 N--CA 1.491 2.36 0 O-C-N 120.523 -1.36 . . . . 0.0 110.844 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.68 145.2 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.042 -1.269 . . . . 0.0 109.136 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 46' ' ' VAL . 23.1 m -56.01 125.22 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' PRO . 19.4 ttp180 -93.85 131.15 32.62 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.415 -0.803 . . . . 0.0 109.208 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ARG . 84.5 Cg_exo -40.38 104.88 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.163 1.242 . . . . 0.0 110.614 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.91 -12.97 3.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.603 -0.686 . . . . 0.0 109.426 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -60.96 -19.6 61.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.423 -0.798 . . . . 0.0 110.15 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.2 mt -77.07 -24.6 51.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.102 -0.999 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -57.35 157.2 6.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.925 . . . . 0.0 108.786 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.07 159.45 43.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.964 -1.085 . . . . 0.0 109.525 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -86.49 -6.88 58.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 109.598 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.09 136.66 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.8 mt -127.94 140.01 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.312 -0.868 . . . . 0.0 109.878 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -81.84 130.03 34.94 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -85.13 134.93 34.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 108.96 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 59' ' ' ARG . 42.3 mtt-85 -98.05 164.02 12.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.117 -0.99 . . . . 0.0 109.318 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 . . . . . 0 N--CA 1.488 1.475 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 -178.507 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.29 0.566 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.7 m -147.58 145.31 28.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.362 -0.836 . . . . 0.0 109.255 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.8 t -71.58 111.38 6.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.141 -0.974 . . . . 0.0 109.015 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 p -68.36 -9.12 45.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -96.92 -42.35 7.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.5 p -129.86 3.02 4.89 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.968 -1.083 . . . . 0.0 111.196 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 58.75 4.86 0.42 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.189 -0.944 . . . . 0.0 112.897 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -66.22 132.84 49.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.087 -1.633 . . . . 0.0 110.536 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -101.67 -2.36 30.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.569 -0.707 . . . . 0.0 109.963 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -108.98 119.1 38.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.336 -0.853 . . . . 0.0 108.747 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -164.15 144.75 6.64 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -76.34 -18.61 15.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.139 1.893 . . . . 0.0 111.96 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.566 HD23 HH21 ' A' ' 24' ' ' ARG . 28.0 tp -154.52 124.72 6.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.184 -0.947 . . . . 0.0 110.306 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -83.98 128.86 34.84 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.58 0.705 . . . . 0.0 110.159 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.566 HH21 HD23 ' A' ' 22' ' ' LEU . 29.3 mmt180 -111.97 178.71 4.22 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -139.26 154.55 47.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 109.497 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 15.6 t30 -93.4 141.46 23.97 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -44.12 -10.6 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.576 1.518 . . . . 0.0 112.385 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.1 mm-40 -92.79 5.75 50.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.011 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.7 5.58 88.03 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -86.33 146.49 42.39 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 120.948 -1.325 . . . . 0.0 108.894 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.03 138.44 18.31 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.299 1.999 . . . . 0.0 113.168 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.9 mt -129.25 159.98 34.39 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.594 ' SG ' ' ND2' ' A' ' 34' ' ' ASN . 30.1 p -85.0 -134.07 0.05 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.447 -1.408 . . . . 0.0 109.123 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.756 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -83.19 -83.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.136 -0.977 . . . . 0.0 112.131 -178.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.699 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -61.24 -27.96 68.82 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 m -56.37 -54.09 49.63 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 119.967 -1.708 . . . . 0.0 110.203 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.36 -44.65 64.17 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.461 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.908 -1.348 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 42.9 t80 -76.09 -46.4 29.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.596 -0.69 . . . . 0.0 111.68 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.08 -50.44 71.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.944 -1.097 . . . . 0.0 110.965 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -59.92 -42.15 93.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.94 -30.36 67.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.046 -1.034 . . . . 0.0 110.622 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -94.13 -36.94 11.84 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.717 -1.239 . . . . 0.0 111.143 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.08 10.19 55.85 Favored Glycine 0 N--CA 1.493 2.435 0 O-C-N 120.571 -1.331 . . . . 0.0 111.507 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.38 146.93 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.897 -1.354 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 m -54.16 144.3 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.305 -0.872 . . . . 0.0 109.386 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HE ' ' HD2' ' A' ' 48' ' ' PRO . 2.5 tpm_? -150.03 128.52 6.0 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.437 ' HD2' ' HE ' ' A' ' 47' ' ' ARG . 41.8 Cg_exo -34.27 108.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.124 1.883 . . . . 0.0 112.977 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.69 -8.39 2.02 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.7 p -58.61 -13.94 7.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.442 -0.787 . . . . 0.0 109.497 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.33 -30.61 66.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 108.335 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.495 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 10.1 tmtt? -55.87 155.75 5.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.462 -0.774 . . . . 0.0 109.711 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.06 148.13 36.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.451 -0.781 . . . . 0.0 109.519 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.495 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 75.8 m-20 -87.97 -4.61 58.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.495 -0.753 . . . . 0.0 109.216 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -110.27 125.92 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.98 134.1 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.555 0.693 . . . . 0.0 110.15 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -81.51 131.93 35.3 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -80.51 131.77 35.59 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.16 -0.962 . . . . 0.0 108.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -100.37 167.39 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.827 . . . . 0.0 108.966 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.9 p30 . . . . . 0 C--N 1.3 -1.561 0 O-C-N 121.454 -0.779 . . . . 0.0 110.014 -178.671 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.0 m -141.28 148.76 40.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.722 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.3 t -77.03 112.89 14.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.469 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -10.27 48.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 109.987 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.418 ' OD1' HD22 ' A' ' 32' ' ' LEU . 3.7 m120 -98.96 -40.15 8.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.346 -0.846 . . . . 0.0 110.511 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.636 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.9 p -132.38 10.53 4.46 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.952 -1.093 . . . . 0.0 111.591 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 52.0 -0.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.684 -1.26 . . . . 0.0 112.617 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.636 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.3 t -60.06 134.96 57.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.156 -1.59 . . . . 0.0 109.788 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -102.89 -11.98 17.86 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.345 -0.847 . . . . 0.0 109.384 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -98.27 119.98 37.89 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.189 -0.945 . . . . 0.0 108.976 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -163.43 146.23 8.02 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.8 -20.76 13.16 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.188 1.925 . . . . 0.0 112.055 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.555 HD23 ' NH2' ' A' ' 24' ' ' ARG . 22.7 tp -155.41 120.55 4.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 110.13 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.33 129.23 34.53 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.555 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.3 mmt180 -109.93 -179.29 3.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.56 149.86 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.259 -0.901 . . . . 0.0 109.398 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.2 t30 -88.03 141.0 30.98 Favored Pre-proline 0 N--CA 1.489 1.521 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.25 -9.82 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.607 1.538 . . . . 0.0 112.777 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.7 mt-10 -98.05 7.05 46.9 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.056 -1.027 . . . . 0.0 109.726 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.22 10.78 77.2 Favored Glycine 0 N--CA 1.494 2.547 0 O-C-N 121.276 -0.89 . . . . 0.0 111.316 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -90.91 142.16 27.3 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 120.712 -1.463 . . . . 0.0 108.415 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.25 133.8 15.13 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.8 1.666 . . . . 0.0 112.783 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD22 ' OD1' ' A' ' 14' ' ' ASN . 83.0 mt -125.64 159.71 31.51 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.5 -143.76 0.07 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.424 -1.422 . . . . 0.0 107.664 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.506 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 29.8 p-10 -81.19 -68.08 0.72 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.865 -1.147 . . . . 0.0 111.921 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.506 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.12 -37.7 86.1 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.0 m -58.03 -56.73 18.28 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.125 -1.609 . . . . 0.0 110.651 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.92 99.13 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.67 -40.04 88.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.245 . . . . 0.0 110.146 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 57.9 t80 -80.32 -48.3 13.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.561 -0.712 . . . . 0.0 111.611 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.14 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 109.841 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.05 -43.36 95.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.946 -1.096 . . . . 0.0 110.714 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.16 -31.0 68.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.039 -1.038 . . . . 0.0 111.738 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.644 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 55.2 m80 -96.84 -34.31 11.33 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.69 -1.256 . . . . 0.0 111.002 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.65 13.62 46.61 Favored Glycine 0 N--CA 1.49 2.266 0 O-C-N 120.587 -1.32 . . . . 0.0 111.203 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.35 140.79 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.931 -1.335 . . . . 0.0 110.205 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -59.36 140.08 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-O 121.375 0.607 . . . . 0.0 109.684 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.608 HH11 ' CG ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -152.36 138.27 11.62 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 108.576 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -33.05 108.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.44 2.094 . . . . 0.0 113.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.77 -7.23 3.31 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.7 m -57.83 -9.99 1.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 0.0 109.016 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.75 -29.48 65.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.261 -0.9 . . . . 0.0 108.638 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -57.64 154.97 10.56 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.375 -0.828 . . . . 0.0 109.641 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.48 150.25 40.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.254 -0.904 . . . . 0.0 109.26 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -86.94 -7.17 58.43 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.308 -0.87 . . . . 0.0 109.809 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 p -108.38 129.69 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.12 133.56 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.452 -0.78 . . . . 0.0 110.059 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -84.04 131.28 34.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.463 -0.773 . . . . 0.0 109.036 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -82.06 129.89 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 59' ' ' ARG . 22.3 mtt-85 -98.08 169.94 9.26 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.327 -0.858 . . . . 0.0 109.003 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.207 -0.933 . . . . 0.0 110.901 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.26 0.552 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m -143.99 146.97 33.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 0.0 109.731 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -71.42 109.69 5.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.049 -1.032 . . . . 0.0 109.749 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 p -68.66 -7.76 36.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.919 -0.488 . . . . 0.0 109.745 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.511 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.0 OUTLIER -98.07 -40.08 8.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.305 -0.872 . . . . 0.0 110.573 -179.206 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.606 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.8 p -132.1 6.09 4.21 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.967 -1.083 . . . . 0.0 110.53 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 57.11 4.96 0.21 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.9 . . . . 0.0 112.567 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.606 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.8 t -64.22 132.4 50.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.137 -1.602 . . . . 0.0 109.601 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.03 -9.95 22.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.474 -0.766 . . . . 0.0 109.364 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -100.34 118.94 37.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.371 -0.831 . . . . 0.0 109.332 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -165.87 141.21 4.03 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.035 -1.041 . . . . 0.0 110.268 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.79 -17.99 10.66 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.352 2.035 . . . . 0.0 112.811 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 HH12 ' A' ' 24' ' ' ARG . 42.5 tp -150.69 126.17 10.15 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.823 -1.173 . . . . 0.0 109.96 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -88.72 123.68 33.39 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.6 0.714 . . . . 0.0 111.223 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.642 ' NH2' HD21 ' A' ' 38' ' ' LEU . 1.7 mmt-85 -107.13 179.63 4.2 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.9 151.9 45.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.24 -0.912 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -88.59 139.57 29.73 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.557 -0.714 . . . . 0.0 109.208 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.53 -13.29 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.938 1.758 . . . . 0.0 112.493 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -94.93 8.29 43.27 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 6.19 88.33 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -86.9 143.59 35.5 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.859 -1.377 . . . . 0.0 108.37 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.1 140.49 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.391 2.06 . . . . 0.0 113.056 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.2 mt -127.1 157.49 39.53 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.3 p -82.4 -156.45 0.17 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.765 HD22 ' H ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -80.04 -48.21 13.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.625 -1.297 . . . . 0.0 111.942 -179.331 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.722 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -68.97 -42.57 76.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.542 -1.349 . . . . 0.0 112.692 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.5 m -57.81 -53.95 52.41 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.549 -1.344 . . . . 0.0 110.703 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.69 -41.22 99.56 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.642 HD21 ' NH2' ' A' ' 24' ' ' ARG . 84.6 mt -69.98 -45.64 66.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.148 -1.207 . . . . 0.0 112.819 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 28.3 t80 -79.0 -43.4 24.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.656 -1.277 . . . . 0.0 111.218 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.2 -51.19 70.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.094 -1.004 . . . . 0.0 110.813 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.82 -40.33 97.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.039 -1.038 . . . . 0.0 110.899 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.97 -35.79 74.71 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.195 -0.941 . . . . 0.0 111.028 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.4 m80 -93.65 -31.55 14.42 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.655 -1.278 . . . . 0.0 110.623 -178.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.69 16.82 61.76 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 120.772 -1.205 . . . . 0.0 111.235 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.51 170.04 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.902 -1.352 . . . . 0.0 109.439 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 m -48.97 142.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.828 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -120.7 107.16 38.72 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -46.13 96.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.472 1.448 . . . . 0.0 110.936 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.49 -16.57 25.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.451 -0.78 . . . . 0.0 110.057 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.5 p -61.18 -11.93 10.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.962 -1.086 . . . . 0.0 109.346 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.91 -24.92 40.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 109.499 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -54.07 155.79 3.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.18 -0.95 . . . . 0.0 109.001 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.19 154.03 41.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.174 -0.954 . . . . 0.0 109.49 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -89.33 -2.69 58.53 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -109.11 124.79 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.21 142.72 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.574 -0.704 . . . . 0.0 109.211 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -78.79 123.39 27.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.531 -0.73 . . . . 0.0 110.08 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -86.0 135.52 33.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.402 -0.811 . . . . 0.0 109.4 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -110.19 165.57 11.65 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.434 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -138.59 150.47 46.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.313 -0.867 . . . . 0.0 109.799 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.4 t -76.54 111.3 11.88 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.8 p -68.3 -9.11 45.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.56 -0.713 . . . . 0.0 110.077 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.1 m-80 -97.39 -39.65 9.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.442 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.467 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 12.6 p -131.77 13.07 4.87 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.95 -1.094 . . . . 0.0 111.378 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 59.65 6.53 0.86 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.109 -0.995 . . . . 0.0 112.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.492 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 15.7 m -64.01 121.2 13.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.354 -1.466 . . . . 0.0 110.174 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -99.65 0.11 41.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.562 -0.711 . . . . 0.0 109.36 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -120.05 130.08 54.53 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.565 -0.709 . . . . 0.0 109.229 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.401 ' CB ' HD22 ' A' ' 34' ' ' ASN . 1.5 t -168.37 150.02 4.82 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.97 . . . . 0.0 109.62 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -82.62 -17.58 7.26 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.903 1.735 . . . . 0.0 110.812 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.537 HD23 ' NH2' ' A' ' 24' ' ' ARG . 19.3 tp -150.01 121.64 8.03 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.918 0.866 . . . . 0.0 110.129 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -84.98 123.08 30.12 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.591 0.71 . . . . 0.0 109.446 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.537 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.9 mmt180 -104.97 170.17 8.02 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -137.46 151.25 48.28 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.315 -0.865 . . . . 0.0 109.585 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.2 t30 -89.44 142.75 29.86 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -43.85 -11.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.506 1.471 . . . . 0.0 112.715 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -101.9 4.88 40.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.094 -1.004 . . . . 0.0 109.836 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.0 21.4 57.41 Favored Glycine 0 N--CA 1.493 2.442 0 O-C-N 121.189 -0.944 . . . . 0.0 111.432 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -95.64 112.26 58.44 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 120.795 -1.415 . . . . 0.0 109.555 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -48.91 138.79 26.36 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 121.931 1.754 . . . . 0.0 113.602 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.8 mt -135.48 159.5 41.39 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.432 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.1 p -82.86 -145.9 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.247 -1.533 . . . . 0.0 107.919 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 1.6 p30 -81.53 -63.43 1.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.025 -1.047 . . . . 0.0 110.815 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.175 -0.953 . . . . 0.0 113.377 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 99.3 m -58.71 -53.9 53.15 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.01 -1.681 . . . . 0.0 110.475 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.99 96.71 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.67 -40.07 80.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.168 -1.195 . . . . 0.0 110.252 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 39.5 t80 -75.73 -50.55 14.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 111.653 -178.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -60.03 -50.4 73.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 110.471 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -59.98 -45.05 93.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.812 -1.18 . . . . 0.0 110.494 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.03 -38.73 75.97 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.998 -1.064 . . . . 0.0 110.714 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 65.6 m80 -86.43 -40.0 15.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.14 17.72 68.3 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 120.77 -1.207 . . . . 0.0 110.914 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.6 m -140.1 171.7 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.088 -1.243 . . . . 0.0 109.237 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 m -44.9 138.82 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.534 HH11 ' HG2' ' A' ' 47' ' ' ARG . 3.9 ttt-85 -99.72 133.29 21.88 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.43 -0.794 . . . . 0.0 109.032 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.434 ' C ' ' N ' ' A' ' 50' ' ' SER . 55.4 Cg_endo -71.83 81.58 1.34 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.14 1.227 . . . . 0.0 109.908 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.91 -10.11 0.71 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.4 -0.813 . . . . 0.0 108.868 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.434 ' N ' ' C ' ' A' ' 48' ' ' PRO . 37.7 m -58.67 -11.04 2.67 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.95 6.07 34.01 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 42.6 tptt -59.32 130.08 45.19 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.351 -0.843 . . . . 0.0 110.661 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.43 153.68 35.15 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.285 0.564 . . . . 0.0 109.999 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -98.33 -2.95 38.18 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.473 -0.767 . . . . 0.0 108.96 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.23 131.15 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.547 -0.721 . . . . 0.0 109.25 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.9 mt -124.54 137.45 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 CA-C-O 121.431 0.634 . . . . 0.0 109.713 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -70.16 123.51 21.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.377 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -87.62 135.84 33.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.216 -0.928 . . . . 0.0 109.681 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 59' ' ' ARG . 36.6 mtt-85 -105.02 170.7 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.875 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 . . . . . 0 C--N 1.301 -1.526 0 CA-C-O 121.52 0.676 . . . . 0.0 109.924 -178.861 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.371 0.605 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.62 147.92 38.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.042 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -70.87 109.96 5.33 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 109.461 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -66.09 -12.5 55.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.866 -0.521 . . . . 0.0 110.395 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.552 HD22 ' NH2' ' A' ' 47' ' ' ARG . 6.3 m120 -101.06 -35.21 9.43 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.382 -0.824 . . . . 0.0 112.103 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.574 ' SG ' HG22 ' A' ' 17' ' ' THR . 7.4 p -131.64 8.29 4.53 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.613 -1.304 . . . . 0.0 110.511 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 54.77 1.61 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 0.0 112.961 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.574 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.7 t -63.93 130.55 44.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.012 -1.68 . . . . 0.0 109.639 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -100.26 -10.2 21.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -102.54 120.66 40.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.368 -0.833 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 t -163.33 145.17 7.65 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.725 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.67 -20.3 15.7 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.774 1.65 . . . . 0.0 111.244 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.49 HD23 ' NH2' ' A' ' 24' ' ' ARG . 34.2 tp -152.87 130.07 11.21 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.383 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -87.47 124.32 33.31 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.5 mmt180 -105.32 171.97 7.04 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -135.96 150.38 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.312 -0.868 . . . . 0.0 108.956 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.5 t-20 -91.34 139.49 25.38 Favored Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.49 -11.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.062 1.841 . . . . 0.0 113.052 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.6 mt-10 -99.98 5.64 45.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.939 -1.101 . . . . 0.0 109.663 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 16.1 69.17 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.262 -0.899 . . . . 0.0 111.349 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -93.71 113.49 60.53 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.725 -1.456 . . . . 0.0 108.91 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.9 138.09 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 121.558 1.505 . . . . 0.0 112.952 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.4 mt -131.5 159.99 36.51 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.1 p -86.59 -141.81 0.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.521 -1.362 . . . . 0.0 108.418 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.506 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 31.7 p-10 -81.99 -69.92 0.58 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.757 -1.214 . . . . 0.0 112.106 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.506 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.92 -32.93 73.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.072 -1.018 . . . . 0.0 113.299 -176.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 m -58.01 -56.4 22.55 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.95 98.41 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.309 -1.117 . . . . 0.0 110.309 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.22 -39.99 78.25 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.263 -1.139 . . . . 0.0 112.433 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -79.19 -48.85 13.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.676 -1.265 . . . . 0.0 112.27 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.01 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.019 -1.051 . . . . 0.0 109.917 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.78 -42.82 98.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.161 -0.962 . . . . 0.0 110.363 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.3 mt -70.0 -34.82 73.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.065 -1.022 . . . . 0.0 111.224 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.645 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 54.0 m80 -92.13 -39.59 11.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.754 -1.216 . . . . 0.0 110.93 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.41 18.29 69.48 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 120.567 -1.333 . . . . 0.0 111.56 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.4 m -139.21 174.85 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.925 -1.338 . . . . 0.0 109.444 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -43.84 136.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.407 -0.808 . . . . 0.0 109.566 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.552 ' NH2' HD22 ' A' ' 14' ' ' ASN . 54.8 ttp180 -119.3 98.44 50.48 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.886 -0.509 . . . . 0.0 109.974 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.05 98.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 121.682 1.588 . . . . 0.0 110.937 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.1 -12.37 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 109.33 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 t -60.02 -11.98 7.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.316 -0.865 . . . . 0.0 109.746 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.5 mt -78.35 -15.06 59.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.078 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -55.28 147.01 17.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.974 -1.079 . . . . 0.0 109.628 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.79 152.61 39.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.406 -0.809 . . . . 0.0 109.484 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -88.46 -8.38 55.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.414 -0.804 . . . . 0.0 109.875 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -110.02 123.97 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.341 -0.85 . . . . 0.0 109.355 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.3 mt -115.75 129.96 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.652 -0.655 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.13 129.96 37.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.31 -0.869 . . . . 0.0 109.587 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 58' ' ' LYS . 13.3 mptt -85.69 129.99 34.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.329 -0.857 . . . . 0.0 109.457 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -97.72 167.44 10.95 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.198 -0.939 . . . . 0.0 109.576 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.678 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.967 -178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -145.04 149.3 34.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.411 -0.806 . . . . 0.0 109.266 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.34 111.1 7.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.043 -1.036 . . . . 0.0 108.518 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -67.83 -9.14 42.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.385 -0.822 . . . . 0.0 109.832 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.88 -40.96 9.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.319 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.684 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.4 p -131.22 4.0 4.36 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.998 -1.064 . . . . 0.0 111.793 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 57.11 3.63 0.15 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.902 -1.124 . . . . 0.0 112.964 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.684 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -65.14 134.56 54.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.126 -1.609 . . . . 0.0 109.224 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -99.8 -5.41 28.65 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.562 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -103.08 117.25 34.15 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.43 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -161.09 142.73 8.91 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 108.955 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.84 -19.62 9.59 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.827 1.685 . . . . 0.0 112.832 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.582 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.9 tp -154.86 123.71 6.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 0.0 109.548 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.92 127.77 32.65 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.429 0.633 . . . . 0.0 111.043 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.5 mmt180 -114.49 178.1 4.4 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -147.49 158.35 43.95 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.001 -1.062 . . . . 0.0 110.17 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.579 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.5 t-20 -85.9 142.83 36.89 Favored Pre-proline 0 N--CA 1.491 1.616 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.95 -8.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.701 1.6 . . . . 0.0 112.03 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.5 mt-10 -98.73 7.17 46.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 109.407 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.18 11.15 79.07 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 121.349 -0.844 . . . . 0.0 111.587 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -87.44 136.9 32.72 Favored Pre-proline 0 N--CA 1.497 1.9 0 O-C-N 120.583 -1.539 . . . . 0.0 108.666 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.04 134.56 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.28 1.987 . . . . 0.0 113.388 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -132.55 161.64 33.31 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.36 -166.23 1.54 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 6.4 m120 -73.29 -42.03 62.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.714 -1.241 . . . . 0.0 111.214 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.1 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.781 -1.199 . . . . 0.0 111.29 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -62.57 -50.35 71.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.684 -1.26 . . . . 0.0 111.113 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.03 72.09 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.637 -1.268 . . . . 0.0 110.424 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.9 mt -66.2 -39.92 90.02 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.013 -1.287 . . . . 0.0 109.954 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 29.9 t80 -72.58 -48.04 43.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.251 -0.906 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.577 HD23 ' ND2' ' A' ' 26' ' ' ASN . 39.2 tp -62.15 -53.04 61.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 111.102 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.845 -1.16 . . . . 0.0 110.641 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.94 -38.22 76.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 110.615 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 77.1 m80 -87.07 -38.95 16.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.748 -1.22 . . . . 0.0 110.518 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.79 10.66 32.8 Favored Glycine 0 N--CA 1.492 2.374 0 O-C-N 120.718 -1.239 . . . . 0.0 111.056 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.7 140.52 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.279 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.94 146.14 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.591 0.71 . . . . 0.0 110.741 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -158.33 137.7 8.34 Favored Pre-proline 0 N--CA 1.49 1.551 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -31.22 113.31 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.814 2.343 . . . . 0.0 114.148 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.65 -13.64 59.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -56.7 -11.55 1.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.41 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.86 -30.11 65.1 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -55.04 162.82 1.2 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 153.66 41.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.071 -1.018 . . . . 0.0 109.538 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -88.72 -4.34 58.55 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.326 -0.859 . . . . 0.0 109.033 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.34 129.32 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.0 mt -119.46 130.13 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.37 -0.831 . . . . 0.0 109.846 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -80.64 133.01 35.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.405 -0.809 . . . . 0.0 109.21 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -84.2 129.52 34.89 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 59' ' ' ARG . 53.9 mtt-85 -98.59 169.53 9.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.419 -0.8 . . . . 0.0 109.794 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 p30 . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.714 0.769 . . . . 0.0 110.385 -178.372 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 m -130.19 135.09 47.79 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.124 -0.985 . . . . 0.0 110.492 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.9 t -80.63 111.4 17.03 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -66.82 -11.59 55.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.516 -0.74 . . . . 0.0 110.054 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -100.21 -37.23 9.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.923 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.678 ' SG ' HG22 ' A' ' 17' ' ' THR . 4.8 p -132.75 7.49 4.09 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.666 -1.271 . . . . 0.0 111.482 -178.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 58.28 -3.71 0.07 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.94 -1.1 . . . . 0.0 112.786 176.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 ' SG ' ' A' ' 15' ' ' CYS . 5.6 t -64.62 133.38 52.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.162 -1.586 . . . . 0.0 110.71 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 27.8 mp0 -104.78 -5.51 21.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.664 -0.648 . . . . 0.0 109.68 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -100.05 114.29 27.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.145 -0.972 . . . . 0.0 109.187 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -165.23 147.83 6.8 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.213 -0.929 . . . . 0.0 109.74 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.92 -17.57 10.74 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.23 1.953 . . . . 0.0 112.408 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.549 HD23 HH21 ' A' ' 24' ' ' ARG . 18.7 tp -155.32 121.02 5.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.17 -0.956 . . . . 0.0 110.53 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -80.95 130.23 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.549 HH21 HD23 ' A' ' 22' ' ' LEU . 27.0 mmt180 -109.46 177.85 4.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.515 -0.741 . . . . 0.0 109.973 -178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -137.84 151.29 47.93 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.379 -0.825 . . . . 0.0 110.006 -179.174 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.5 t-20 -90.58 141.07 26.85 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 109.331 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.99 -11.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.468 1.445 . . . . 0.0 112.167 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.4 mt-10 -97.4 6.95 47.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 0.0 109.283 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.08 9.57 82.1 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.46 -0.775 . . . . 0.0 112.055 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -87.6 146.34 39.15 Favored Pre-proline 0 N--CA 1.497 1.875 0 O-C-N 120.548 -1.56 . . . . 0.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.79 132.34 10.71 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.064 1.842 . . . . 0.0 112.874 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.8 mt -126.27 159.99 31.56 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.5 p -84.48 -142.43 0.08 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.597 -1.314 . . . . 0.0 108.759 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.538 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 6.2 p-10 -81.09 -70.39 0.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.554 -1.341 . . . . 0.0 112.104 -178.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.42 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.76 -30.77 71.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.938 -1.101 . . . . 0.0 112.918 -176.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 m -58.61 -56.97 15.31 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.139 -1.601 . . . . 0.0 109.839 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.76 -45.79 95.52 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.12 -40.01 90.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.225 -1.162 . . . . 0.0 110.933 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.4 t80 -77.82 -49.76 13.66 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.303 -0.873 . . . . 0.0 111.336 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.48 -50.04 74.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.892 -1.13 . . . . 0.0 110.483 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -59.96 -45.17 93.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.068 -1.02 . . . . 0.0 110.733 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.0 -30.9 68.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.126 -0.984 . . . . 0.0 110.258 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.9 m80 -88.97 -38.29 14.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.92 -1.112 . . . . 0.0 110.611 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 10.02 55.29 Favored Glycine 0 N--CA 1.492 2.432 0 O-C-N 120.59 -1.319 . . . . 0.0 111.02 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 m -141.63 146.77 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.888 -1.36 . . . . 0.0 110.097 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.4 m -58.6 145.23 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.3 -0.875 . . . . 0.0 109.067 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.9 tpp180 -149.8 130.85 7.2 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 108.626 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.4 Cg_exo -34.13 116.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 122.09 1.86 . . . . 0.0 113.046 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.84 -7.25 2.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 48' ' ' PRO . 13.9 m -58.57 -17.57 22.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.22 -32.99 69.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.312 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HG2' ' N ' ' A' ' 53' ' ' THR . 24.6 ttpp -57.87 160.51 4.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 108.8 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.506 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -142.94 150.13 39.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.298 -0.876 . . . . 0.0 109.695 178.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -83.01 -6.83 59.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.562 -0.711 . . . . 0.0 109.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.73 127.75 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 109.43 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -119.67 131.15 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -81.07 133.17 35.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -82.88 130.33 35.12 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -99.86 169.94 8.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.093 -1.004 . . . . 0.0 109.225 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.881 0.848 . . . . 0.0 111.048 -178.196 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.409 0.623 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.9 m -146.32 141.19 27.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.515 -0.741 . . . . 0.0 109.113 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.26 109.65 3.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.675 -1.266 . . . . 0.0 109.164 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.7 p -66.25 -10.23 40.1 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.559 -0.713 . . . . 0.0 109.891 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -98.48 -39.82 8.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.852 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.575 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.2 p -131.7 8.03 4.49 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.854 -1.154 . . . . 0.0 111.413 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 54.57 4.33 0.06 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.854 -1.154 . . . . 0.0 112.707 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.575 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -64.51 133.32 52.15 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.078 -1.638 . . . . 0.0 109.98 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -101.54 -8.69 21.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.386 -0.821 . . . . 0.0 109.498 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -101.08 117.92 35.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 109.034 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.6 t -163.2 142.57 6.71 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 120.981 -1.074 . . . . 0.0 110.147 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.78 -20.22 15.56 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.123 1.882 . . . . 0.0 111.524 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.519 HD23 ' NH2' ' A' ' 24' ' ' ARG . 34.6 tp -154.61 125.02 6.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.269 -0.895 . . . . 0.0 110.273 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -83.55 127.48 33.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.732 -0.605 . . . . 0.0 109.587 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.6 mmt180 -107.77 173.82 6.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.437 -0.79 . . . . 0.0 109.691 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -138.11 153.91 49.24 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.7 t-20 -91.84 141.02 25.06 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.361 -0.837 . . . . 0.0 108.983 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.41 -12.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.607 1.538 . . . . 0.0 112.49 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -100.18 6.06 44.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.192 -0.943 . . . . 0.0 109.552 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 21.99 54.34 Favored Glycine 0 N--CA 1.492 2.427 0 O-C-N 121.463 -0.773 . . . . 0.0 111.611 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -96.95 110.61 54.55 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.695 -1.474 . . . . 0.0 109.365 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.16 136.65 30.4 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.116 1.877 . . . . 0.0 113.412 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -134.31 161.12 35.85 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.53 -142.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.562 -1.336 . . . . 0.0 107.987 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 19.6 p-10 -82.01 -69.55 0.61 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.774 -1.204 . . . . 0.0 111.895 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.453 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.39 -36.98 84.0 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.2 m -56.93 -54.32 47.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.952 -1.717 . . . . 0.0 110.066 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.52 -45.12 96.88 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.14 -40.4 82.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.142 -1.211 . . . . 0.0 110.518 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.7 t80 -79.34 -50.96 10.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -0.864 . . . . 0.0 112.296 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.01 -48.8 80.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.129 -0.982 . . . . 0.0 110.126 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -59.94 -46.19 90.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.023 -1.048 . . . . 0.0 109.747 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.95 -33.8 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.247 -0.908 . . . . 0.0 110.851 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.635 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.3 m80 -90.87 -38.55 12.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.622 -1.298 . . . . 0.0 111.192 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.29 9.12 28.41 Favored Glycine 0 N--CA 1.492 2.393 0 O-C-N 120.466 -1.396 . . . . 0.0 110.551 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.13 143.65 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 109.738 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.03 146.09 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.467 -0.77 . . . . 0.0 109.884 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 48' ' ' PRO . 11.3 tpp180 -150.05 133.03 8.37 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.488 ' C ' ' H ' ' A' ' 50' ' ' SER . 31.3 Cg_exo -33.72 108.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.112 1.875 . . . . 0.0 112.974 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.37 -6.94 0.75 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 48' ' ' PRO . 71.0 m -60.9 -11.28 7.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.581 -0.7 . . . . 0.0 110.354 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.99 -30.97 68.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.813 -1.179 . . . . 0.0 108.893 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.9 ttpt -55.83 159.05 3.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 0.0 109.824 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -147.07 154.4 41.13 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.602 0.715 . . . . 0.0 109.642 178.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -85.78 -7.38 58.79 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.9 125.52 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -117.35 131.75 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.554 -0.716 . . . . 0.0 109.929 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -71.02 123.13 21.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -82.46 132.25 35.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.186 -0.946 . . . . 0.0 109.803 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -102.91 169.99 8.25 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.988 0.899 . . . . 0.0 111.404 -177.14 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -138.76 152.14 47.68 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.395 -0.816 . . . . 0.0 109.185 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -75.19 111.63 10.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.035 -1.04 . . . . 0.0 109.38 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.7 p -67.63 -9.98 48.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.718 -0.614 . . . . 0.0 109.986 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -98.23 -42.71 7.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.204 -0.935 . . . . 0.0 110.583 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.9 p -126.72 2.33 6.75 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.935 -1.103 . . . . 0.0 111.198 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 57.28 3.43 0.16 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.051 . . . . 0.0 112.688 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 5.8 t -64.55 131.04 45.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.281 -1.512 . . . . 0.0 109.838 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -98.21 -3.91 36.53 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -105.32 115.92 31.07 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t -164.22 143.5 6.11 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -77.16 -17.96 14.67 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.035 1.823 . . . . 0.0 112.897 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.531 HD23 ' NH2' ' A' ' 24' ' ' ARG . 27.7 tp -156.56 125.31 5.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.738 -1.226 . . . . 0.0 110.723 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -81.99 123.89 29.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.531 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.8 mmt180 -105.46 178.32 4.59 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -139.13 152.15 47.24 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.834 -179.146 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.3 t30 -92.42 141.78 25.21 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 109.527 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -43.67 -11.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.011 1.807 . . . . 0.0 112.501 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.6 mt-10 -96.78 6.76 48.05 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.246 -0.909 . . . . 0.0 109.463 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.08 9.23 82.7 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -88.46 148.52 42.44 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 120.62 -1.517 . . . . 0.0 108.689 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.43 137.29 10.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.456 2.104 . . . . 0.0 112.983 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.1 mt -130.06 160.17 34.53 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.414 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.8 p -83.16 -140.03 0.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.333 -1.48 . . . . 0.0 109.032 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 22.6 p-10 -82.72 -70.64 0.54 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.92 -1.113 . . . . 0.0 112.158 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.58 -35.0 79.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.914 -1.116 . . . . 0.0 113.212 -177.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.1 m -56.99 -55.71 31.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.221 -1.549 . . . . 0.0 110.113 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.6 -44.17 97.94 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.022 -1.085 . . . . 0.0 110.633 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.4 mt -66.75 -39.98 88.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.093 -1.239 . . . . 0.0 111.203 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.633 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 45.2 t80 -72.63 -49.21 33.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.291 -0.881 . . . . 0.0 111.195 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.59 -49.77 76.21 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.402 -0.811 . . . . 0.0 110.823 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.99 -46.41 89.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.963 -1.085 . . . . 0.0 109.665 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.91 -37.44 75.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.598 -0.689 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.633 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 65.8 m80 -88.03 -41.07 13.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.634 -1.291 . . . . 0.0 110.494 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.9 7.63 37.33 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.652 -1.28 . . . . 0.0 110.154 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.86 142.8 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.246 -1.15 . . . . 0.0 109.951 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -59.21 139.29 19.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.397 -0.814 . . . . 0.0 108.999 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -147.31 130.52 8.09 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -36.4 116.04 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 122.113 1.875 . . . . 0.0 113.002 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.64 -6.43 7.73 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.6 t -57.05 -15.35 5.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.89 -37.96 64.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.186 -0.946 . . . . 0.0 109.318 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 53' ' ' THR . 29.8 tttp -56.42 167.05 0.75 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.063 -1.023 . . . . 0.0 109.347 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.43 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -148.01 155.75 41.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.348 -0.845 . . . . 0.0 109.584 178.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.87 -0.18 57.13 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.81 127.47 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -124.91 136.3 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -86.77 138.87 31.26 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.357 -0.839 . . . . 0.0 108.795 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -84.32 135.74 34.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' A' ' 59' ' ' ARG . 5.4 mmt-85 -100.65 166.77 10.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.876 . . . . 0.0 109.437 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 . . . . . 0 C--N 1.3 -1.569 0 CA-C-O 121.689 0.757 . . . . 0.0 110.088 -178.489 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.612 0.72 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.3 m -144.84 148.47 34.02 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.5 t -76.03 110.72 10.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.144 -0.972 . . . . 0.0 109.389 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.6 p -66.9 -11.12 55.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.683 -0.635 . . . . 0.0 110.492 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -98.07 -38.67 9.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.359 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.701 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.2 p -132.71 4.63 3.91 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 55.73 6.61 0.21 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 112.472 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.701 HG22 ' SG ' ' A' ' 15' ' ' CYS . 15.0 t -66.12 130.35 42.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 119.985 -1.697 . . . . 0.0 109.697 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.527 HE21 ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -99.97 -4.44 30.08 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.065 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -105.47 115.44 30.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.496 -0.753 . . . . 0.0 109.259 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -165.46 147.82 6.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -78.7 -18.19 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.115 1.876 . . . . 0.0 112.665 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD23 ' NH2' ' A' ' 24' ' ' ARG . 26.1 tp -152.76 125.03 8.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.12 -0.988 . . . . 0.0 110.289 -178.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -86.51 127.78 34.91 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 121.417 0.627 . . . . 0.0 109.53 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.462 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.5 mmt180 -109.41 176.93 4.9 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.484 HH11 ' HG2' ' A' ' 25' ' ' ARG . 13.9 ptt-85 -136.53 153.19 51.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.407 -0.808 . . . . 0.0 110.039 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.6 t-20 -88.96 138.86 29.05 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.031 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.78 -11.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.564 1.51 . . . . 0.0 111.718 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.7 mt-10 -101.1 5.62 42.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.33 -0.857 . . . . 0.0 109.395 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 12.64 70.82 Favored Glycine 0 N--CA 1.491 2.356 0 O-C-N 121.52 -0.737 . . . . 0.0 111.877 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -93.55 114.6 63.37 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 120.381 -1.658 . . . . 0.0 109.195 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.08 141.4 22.82 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.461 2.107 . . . . 0.0 114.3 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD11 HD22 ' A' ' 26' ' ' ASN . 95.5 mt -134.57 159.9 39.76 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.4 p -85.93 -148.06 0.12 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.48 -1.387 . . . . 0.0 108.149 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 14.4 p-10 -77.12 -67.45 0.71 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.009 -1.057 . . . . 0.0 111.906 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.21 -37.6 87.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 0.0 113.241 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.46 -55.67 32.08 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 119.884 -1.76 . . . . 0.0 110.271 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.2 96.55 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.371 -1.091 . . . . 0.0 110.371 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.1 mt -67.44 -40.26 85.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.43 -1.041 . . . . 0.0 110.067 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 59.3 t80 -75.8 -46.35 31.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.497 -0.752 . . . . 0.0 111.61 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.57 -50.15 70.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.12 -45.54 92.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 0.0 110.342 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.51 -33.25 69.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.065 -1.022 . . . . 0.0 111.955 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.641 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 50.0 m80 -91.8 -38.49 12.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.563 -1.335 . . . . 0.0 111.521 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.08 5.12 25.17 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.637 -1.289 . . . . 0.0 111.281 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.3 141.43 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.121 -1.223 . . . . 0.0 109.596 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -55.87 144.67 7.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 CA-C-O 121.402 0.62 . . . . 0.0 110.03 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.2 tpt180 -150.71 129.19 6.04 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.5 Cg_exo -31.29 108.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.164 1.909 . . . . 0.0 113.337 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.07 -12.94 9.46 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -60.0 -9.99 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.63 -37.15 73.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.968 -1.082 . . . . 0.0 109.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HG2' ' H ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -54.06 166.65 0.35 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.441 ' H ' ' HG2' ' A' ' 52' ' ' LYS . 5.7 t -148.15 155.86 41.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.863 -1.148 . . . . 0.0 110.109 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -85.99 -0.8 56.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.6 -0.688 . . . . 0.0 110.199 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 55' ' ' VAL . 6.2 p -118.58 129.6 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.303 -0.873 . . . . 0.0 108.889 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -121.04 135.23 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.65 129.89 35.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -0.861 . . . . 0.0 109.609 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -82.69 130.52 35.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.977 -1.077 . . . . 0.0 108.353 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -104.04 170.6 7.82 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.338 -0.851 . . . . 0.0 109.527 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.824 0.821 . . . . 0.0 110.382 -178.889 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.8 m -131.4 141.44 49.86 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.637 0.732 . . . . 0.0 110.194 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.2 t -71.74 112.53 7.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.52 -0.738 . . . . 0.0 109.041 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -68.61 -9.72 51.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.714 -0.616 . . . . 0.0 109.993 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.502 ' ND2' HD22 ' A' ' 32' ' ' LEU . 74.6 m-20 -97.33 -39.1 9.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 0.0 110.169 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.58 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.2 p -132.1 9.11 4.44 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.854 -1.154 . . . . 0.0 111.439 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 55.85 0.85 0.05 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.626 -1.296 . . . . 0.0 112.509 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.58 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.1 t -63.32 128.32 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 119.985 -1.697 . . . . 0.0 108.719 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -100.46 -8.88 22.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.655 -0.653 . . . . 0.0 109.245 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -99.85 119.6 38.45 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 t -162.22 145.42 8.98 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -84.2 -15.82 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.4 2.067 . . . . 0.0 111.497 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.541 HD23 ' NH2' ' A' ' 24' ' ' ARG . 21.6 tp -151.89 123.18 7.73 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.85 0.833 . . . . 0.0 109.942 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -87.21 127.06 35.16 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.571 0.7 . . . . 0.0 110.295 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.541 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.9 mmt180 -107.48 175.83 5.36 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -140.18 151.16 45.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.066 -1.021 . . . . 0.0 109.441 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLU . 26.4 t30 -92.03 140.76 24.75 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.296 -0.878 . . . . 0.0 109.093 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.64 1.56 . . . . 0.0 112.623 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' ASN . 92.9 mt-10 -98.55 3.85 48.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.107 -0.996 . . . . 0.0 109.068 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.69 12.9 71.11 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -92.14 138.21 24.59 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.77 -1.429 . . . . 0.0 108.339 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.76 137.29 19.89 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.982 1.788 . . . . 0.0 112.327 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 ' ND2' ' A' ' 14' ' ' ASN . 88.6 mt -128.37 159.98 33.65 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -83.01 -159.74 0.36 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 37.5 p-10 -79.39 -43.26 23.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.797 -1.189 . . . . 0.0 110.976 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' C ' HH12 ' A' ' 47' ' ' ARG . . . -67.29 -50.11 61.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.04 -1.038 . . . . 0.0 112.028 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' HA ' HH11 ' A' ' 47' ' ' ARG . 98.6 m -59.74 -53.96 51.91 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.678 -1.263 . . . . 0.0 110.293 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.43 -46.9 92.44 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.784 -1.327 . . . . 0.0 109.784 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.84 -41.01 79.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.974 -1.309 . . . . 0.0 110.703 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.6 t80 -80.31 -48.33 13.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.231 -0.918 . . . . 0.0 111.578 -178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.17 -48.18 82.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.305 -0.872 . . . . 0.0 109.853 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -59.96 -45.93 91.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.816 -1.178 . . . . 0.0 110.305 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.97 -31.02 68.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.422 -0.799 . . . . 0.0 110.64 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.5 m80 -92.54 -34.83 13.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.86 -1.15 . . . . 0.0 111.149 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.71 15.43 54.23 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 120.669 -1.269 . . . . 0.0 111.024 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.69 170.41 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.061 -1.258 . . . . 0.0 109.47 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.6 m -49.39 143.3 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.182 -0.949 . . . . 0.0 110.431 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.538 HH12 ' C ' ' A' ' 35' ' ' ALA . 40.8 ttt180 -112.13 132.96 21.81 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -66.14 88.21 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 120.794 0.996 . . . . 0.0 110.438 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 51' ' ' LEU . 47.8 mt -57.36 -10.42 1.36 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.329 -0.857 . . . . 0.0 109.112 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 52' ' ' LYS . 77.4 p -59.53 -10.02 3.04 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 49' ' ' LEU . 94.4 mt -78.99 16.5 0.9 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -60.66 121.16 11.52 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.497 0.665 . . . . 0.0 110.484 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 t -145.27 142.66 29.68 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.855 0.836 . . . . 0.0 110.08 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -93.03 0.01 57.25 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -114.43 129.97 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.56 -0.713 . . . . 0.0 109.916 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.41 133.23 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -68.78 124.82 24.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.194 -0.941 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -88.3 133.92 33.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -101.42 169.32 8.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.321 -0.862 . . . . 0.0 108.941 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 p30 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.474 -0.766 . . . . 0.0 110.898 -178.538 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -141.03 147.77 39.17 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.498 -0.751 . . . . 0.0 109.141 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.1 t -73.63 112.82 10.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.047 -1.033 . . . . 0.0 109.709 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -67.83 -11.77 59.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.829 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.445 ' OD1' HD22 ' A' ' 32' ' ' LEU . 3.1 m120 -97.07 -40.04 9.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 110.282 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.6 p -131.64 5.55 4.32 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.826 -1.171 . . . . 0.0 111.667 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 58.04 1.28 0.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.819 -1.176 . . . . 0.0 112.589 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.564 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -63.5 131.51 48.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.185 -1.572 . . . . 0.0 109.606 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -102.3 -7.95 21.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.582 -0.699 . . . . 0.0 109.413 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.3 m -104.1 120.78 41.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.401 -0.812 . . . . 0.0 109.072 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.681 ' CB ' HD22 ' A' ' 34' ' ' ASN . 0.1 OUTLIER -165.02 150.34 8.41 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.218 -0.926 . . . . 0.0 109.544 -179.739 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.93 -17.56 10.73 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.886 1.724 . . . . 0.0 111.854 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.517 HD23 ' NH2' ' A' ' 24' ' ' ARG . 41.0 tp -156.22 126.97 6.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.227 -0.92 . . . . 0.0 110.238 -178.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -85.23 129.18 34.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.758 -0.589 . . . . 0.0 109.697 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.517 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.7 mmt180 -108.23 176.38 5.15 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.537 ' CD ' ' N ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -140.1 151.23 45.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.389 -0.82 . . . . 0.0 109.05 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.562 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.8 t-20 -88.96 141.01 29.25 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.271 -0.893 . . . . 0.0 109.158 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -44.38 -10.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.735 1.623 . . . . 0.0 112.032 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.7 mm-40 -97.49 5.81 49.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.197 -0.94 . . . . 0.0 109.073 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ASN . . . 82.9 15.59 72.31 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -91.97 138.95 24.45 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 120.734 -1.45 . . . . 0.0 108.489 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.0 131.03 15.04 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.922 1.748 . . . . 0.0 112.878 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' OD1' ' A' ' 14' ' ' ASN . 86.1 mt -126.62 158.73 35.55 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -82.11 -144.58 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.426 -1.421 . . . . 0.0 108.818 178.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.681 HD22 ' CB ' ' A' ' 20' ' ' THR . 2.8 p30 -80.98 -66.2 0.92 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.835 -1.166 . . . . 0.0 111.857 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -64.58 -36.94 85.85 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.23 -55.55 33.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.033 -1.667 . . . . 0.0 110.311 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.28 96.1 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.6 mt -68.07 -40.02 82.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.03 -1.276 . . . . 0.0 109.806 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 71.9 t80 -74.2 -52.17 13.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.477 -0.765 . . . . 0.0 111.407 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 tp -60.88 -50.36 73.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.951 -1.093 . . . . 0.0 110.268 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.3 -48.29 82.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.857 -1.152 . . . . 0.0 110.945 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.15 -32.37 70.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.026 -1.047 . . . . 0.0 110.768 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 77.9 m80 -90.96 -39.01 12.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.551 -1.343 . . . . 0.0 110.427 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.98 10.08 31.19 Favored Glycine 0 N--CA 1.491 2.35 0 O-C-N 120.857 -1.152 . . . . 0.0 111.644 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.63 141.57 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.908 -1.348 . . . . 0.0 110.201 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.24 140.64 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 109.822 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -151.75 131.24 6.76 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ARG . 30.0 Cg_exo -33.52 112.97 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.228 0 C-N-CA 122.034 1.823 . . . . 0.0 112.788 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.77 -7.93 2.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.2 p -60.03 -12.37 7.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.388 -0.82 . . . . 0.0 109.858 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.023 -1.048 . . . . 0.0 108.561 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -57.45 162.73 2.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 108.693 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.93 151.34 38.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.109 -0.994 . . . . 0.0 109.608 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -88.5 -3.44 58.81 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.5 t -111.99 130.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -122.09 134.93 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.603 -0.686 . . . . 0.0 110.355 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -80.3 134.02 36.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.87 . . . . 0.0 108.705 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.89 127.52 32.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.15 -0.969 . . . . 0.0 109.038 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -99.45 166.54 11.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.433 -0.792 . . . . 0.0 108.966 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 C--N 1.299 -1.594 0 CA-C-O 122.144 0.973 . . . . 0.0 110.69 -178.443 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.56 0.695 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -144.44 141.6 29.73 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.5 t -66.71 107.53 2.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.95 -1.094 . . . . 0.0 109.464 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -67.96 -10.48 53.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.529 -0.732 . . . . 0.0 109.508 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.444 ' ND2' HD22 ' A' ' 32' ' ' LEU . 50.5 m-20 -96.18 -37.98 10.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.93 . . . . 0.0 110.503 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.37 10.05 3.76 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.799 -1.188 . . . . 0.0 110.942 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 58.39 6.06 0.51 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.37 -0.831 . . . . 0.0 113.125 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -60.9 124.83 21.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.053 -1.654 . . . . 0.0 109.595 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -99.02 -0.65 41.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.539 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -117.86 126.51 52.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.466 -0.771 . . . . 0.0 109.731 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.405 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 3.4 t -165.8 147.84 6.27 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.729 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.98 -18.04 10.4 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.845 1.697 . . . . 0.0 110.973 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD23 ' NH2' ' A' ' 24' ' ' ARG . 50.2 tp -151.6 126.01 9.42 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.43 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.405 ' CE2' ' CG2' ' A' ' 20' ' ' THR . 78.3 m95 -86.82 125.86 34.25 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.871 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.5 mmt180 -105.45 170.11 8.07 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -133.75 150.21 51.48 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.425 -0.797 . . . . 0.0 109.828 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.3 t30 -93.06 141.72 24.44 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 109.573 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -45.27 -11.09 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.766 1.644 . . . . 0.0 112.149 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.7 mt-10 -97.2 5.08 50.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 109.301 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.33 12.53 80.44 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -91.91 143.18 27.36 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.815 -1.403 . . . . 0.0 108.721 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.08 139.64 21.79 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.638 1.558 . . . . 0.0 112.756 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.444 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.8 mt -129.17 157.78 40.84 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.2 p -82.1 -144.39 0.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.246 -1.534 . . . . 0.0 107.967 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.755 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -81.52 -65.39 1.02 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.872 -1.143 . . . . 0.0 111.026 -179.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.755 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.8 -38.17 89.62 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.4 m -58.47 -56.01 27.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 119.997 -1.689 . . . . 0.0 109.946 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.36 -46.78 93.7 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.448 HD21 ' CZ ' ' A' ' 24' ' ' ARG . 70.2 mt -66.65 -41.2 88.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -1.127 . . . . 0.0 111.241 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 63.7 t80 -77.79 -50.11 12.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 111.314 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.24 -50.09 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.102 -0.999 . . . . 0.0 110.089 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.91 -45.47 92.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.203 -0.935 . . . . 0.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.95 -30.38 67.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.087 -1.008 . . . . 0.0 111.09 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 58.2 m80 -92.86 -38.72 11.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.591 -1.318 . . . . 0.0 110.921 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.15 15.99 61.6 Favored Glycine 0 N--CA 1.492 2.419 0 O-C-N 120.678 -1.264 . . . . 0.0 111.441 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -138.41 151.3 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.853 -1.381 . . . . 0.0 110.175 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.33 150.93 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 109.191 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 2.5 tpm_? -160.53 127.81 2.66 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 109.274 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -38.4 110.85 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.216 1.944 . . . . 0.0 113.782 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 51' ' ' LEU . 96.1 mt -62.0 -10.0 8.66 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.6 m -54.8 -9.14 0.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.461 -0.774 . . . . 0.0 109.118 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.6 mt -78.42 -24.58 46.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.824 . . . . 0.0 109.474 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 11.5 tmtt? -52.63 150.84 4.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 109.082 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.54 149.57 36.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 109.868 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 91.1 m-20 -89.27 -7.31 55.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.529 -0.732 . . . . 0.0 109.172 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.2 t -110.01 128.41 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.2 mt -120.38 137.17 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-O 121.314 0.578 . . . . 0.0 109.509 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 57' ' ' LYS . 7.3 ttpm? -82.28 131.67 35.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.383 -0.823 . . . . 0.0 109.288 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -86.25 131.24 34.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.405 -0.81 . . . . 0.0 109.827 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 59' ' ' ARG . 52.4 mtt-85 -100.64 170.5 8.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.158 -0.964 . . . . 0.0 108.93 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.7 m120 . . . . . 0 C--N 1.3 -1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 110.296 -178.859 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.4 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.344 0.592 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.3 m -142.8 140.32 31.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.465 -0.772 . . . . 0.0 109.176 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -67.49 110.99 3.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.217 -0.927 . . . . 0.0 109.452 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -67.14 -10.87 54.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.612 -0.68 . . . . 0.0 110.264 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -98.42 -38.57 9.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.153 -0.967 . . . . 0.0 110.877 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.3 p -134.54 0.97 3.07 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.866 -1.146 . . . . 0.0 111.59 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 52.82 48.89 21.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.81 -1.181 . . . . 0.0 110.519 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.43 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 1.2 m -84.05 109.94 18.07 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.588 -0.695 . . . . 0.0 109.311 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -88.29 0.73 55.81 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.288 -1.507 . . . . 0.0 109.831 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.6 m -126.08 117.84 24.03 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 t -160.96 144.73 10.0 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.176 -0.953 . . . . 0.0 109.731 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.43 -17.12 10.33 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.727 1.618 . . . . 0.0 112.01 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 ' NH2' ' A' ' 24' ' ' ARG . 28.8 tp -155.23 122.86 5.66 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.138 -0.976 . . . . 0.0 110.467 -179.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -82.62 127.88 33.8 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.337 0.589 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.9 mmt180 -109.18 178.47 4.44 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.75 157.87 44.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.851 -1.155 . . . . 0.0 110.045 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.4 t-20 -88.41 140.63 30.21 Favored Pre-proline 0 N--CA 1.493 1.682 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -49.16 -7.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 CA-C-N 119.954 1.019 . . . . 0.0 111.045 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -97.56 9.1 43.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.417 -0.802 . . . . 0.0 109.272 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 6.19 86.69 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 121.218 -0.926 . . . . 0.0 112.007 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' NE2' ' CB ' ' A' ' 28' ' ' GLU . 3.2 mp0 -89.44 147.69 38.66 Favored Pre-proline 0 N--CA 1.498 1.97 0 O-C-N 120.512 -1.581 . . . . 0.0 108.504 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.67 143.18 18.64 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.374 2.049 . . . . 0.0 113.733 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -134.22 160.5 37.68 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.4 p -84.5 -141.46 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.306 -1.496 . . . . 0.0 108.549 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.728 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.1 p-10 -80.96 -70.17 0.55 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.038 -1.039 . . . . 0.0 111.666 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.728 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -65.68 -30.95 71.71 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.5 m -57.29 -56.42 22.07 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 119.905 -1.747 . . . . 0.0 110.309 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.82 -46.05 94.95 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.45 -43.32 85.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.008 -1.29 . . . . 0.0 110.292 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 82.6 t80 -70.45 -52.44 22.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 0.0 111.97 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.21 -49.97 75.53 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.398 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -60.92 -45.61 93.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.142 -0.974 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.09 -35.69 74.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 111.387 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 80.3 m80 -91.75 -36.79 13.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.687 -1.258 . . . . 0.0 110.879 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.73 15.12 57.26 Favored Glycine 0 N--CA 1.493 2.492 0 O-C-N 120.908 -1.12 . . . . 0.0 112.002 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 m -141.31 142.63 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 CA-C-N 119.186 1.493 . . . . 0.0 110.434 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.08 140.64 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.259 0.552 . . . . 0.0 110.544 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.553 ' HG2' HH11 ' A' ' 47' ' ' ARG . 4.0 ttt-85 -156.07 136.99 9.17 Favored Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -34.42 110.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.299 2.0 . . . . 0.0 114.034 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 51' ' ' LEU . 88.9 mt -61.24 -12.42 13.08 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -55.7 -7.53 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.795 . . . . 0.0 109.313 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 49' ' ' LEU . 86.3 mt -69.93 -27.52 64.83 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 53' ' ' THR . 59.9 tttt -55.02 159.01 2.57 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.872 0.844 . . . . 0.0 109.651 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.53 155.63 40.65 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.387 0.613 . . . . 0.0 109.514 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -85.76 -8.06 58.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 0.0 108.696 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.3 t -109.21 122.91 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.21 132.09 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.659 -0.651 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -67.91 119.02 11.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.14 -0.975 . . . . 0.0 109.184 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.67 129.59 34.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.856 . . . . 0.0 108.916 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -100.99 165.65 11.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.246 -0.909 . . . . 0.0 109.384 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m120 . . . . . 0 C--N 1.3 -1.584 0 CA-C-O 121.67 0.747 . . . . 0.0 110.422 -178.36 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.8 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.632 0.73 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 m -140.73 152.94 45.68 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' PHE . 5.8 t -79.7 112.19 16.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.998 -1.064 . . . . 0.0 110.385 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.0 p -68.61 -10.06 53.64 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 109.914 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.422 ' ND2' HD22 ' A' ' 32' ' ' LEU . 57.9 m-20 -96.66 -40.3 9.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.1 p -133.97 6.29 3.65 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.918 -1.114 . . . . 0.0 110.784 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' CYS . 95.5 m-85 54.46 5.89 0.1 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 113.119 177.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.5 t -64.17 129.27 39.3 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 119.964 -1.71 . . . . 0.0 110.467 -179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -99.6 -0.1 41.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -107.97 114.32 28.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 109.206 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -162.53 147.5 9.7 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -79.5 -16.71 11.75 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.944 1.762 . . . . 0.0 112.372 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 ' NH2' ' A' ' 24' ' ' ARG . 55.1 tp -154.38 123.93 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.802 -1.186 . . . . 0.0 109.968 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -82.7 126.19 32.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.505 -0.747 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.4 mmt180 -107.55 177.29 4.88 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.64 151.77 46.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.184 -0.948 . . . . 0.0 109.423 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.9 t30 -88.21 141.66 31.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 108.771 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.04 -9.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.682 1.588 . . . . 0.0 112.494 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.8 mt-10 -98.6 9.44 43.24 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.083 -1.011 . . . . 0.0 109.476 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.01 9.27 85.52 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.168 -0.958 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.04 146.18 35.93 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.596 -1.532 . . . . 0.0 108.629 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.67 137.55 18.24 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.104 1.869 . . . . 0.0 113.78 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD22 ' ND2' ' A' ' 14' ' ' ASN . 89.3 mt -130.13 158.65 39.09 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.2 -141.41 0.08 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.688 -1.257 . . . . 0.0 108.555 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 1.3 p-10 -82.35 -71.5 0.48 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.102 -0.999 . . . . 0.0 111.916 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.66 73.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.86 -1.15 . . . . 0.0 113.46 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.2 m -59.15 -58.34 9.05 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.811 -1.806 . . . . 0.0 110.379 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.24 95.8 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.71 -40.72 84.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.231 -1.158 . . . . 0.0 110.282 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 44.7 t80 -73.62 -45.81 50.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 111.587 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.75 -51.76 67.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.745 -1.222 . . . . 0.0 110.408 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.03 -48.99 79.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 111.647 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.69 -39.25 77.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.039 -1.038 . . . . 0.0 111.236 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 78.3 m80 -87.01 -30.19 21.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.392 -1.442 . . . . 0.0 109.981 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.76 12.43 3.57 Favored Glycine 0 N--CA 1.49 2.28 0 O-C-N 121.225 -0.922 . . . . 0.0 111.625 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.14 139.44 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.715 -1.462 . . . . 0.0 109.968 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.07 143.07 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 110.728 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 25.9 ttm180 -156.7 137.97 9.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.9 Cg_exo -30.49 115.22 0.05 OUTLIER 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.66 2.24 . . . . 0.0 113.53 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.07 -9.66 3.43 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -59.75 -13.05 8.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.055 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.21 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.63 160.81 5.18 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.52 147.58 34.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.004 -1.06 . . . . 0.0 110.028 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -86.3 -8.07 58.0 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.5 t -105.88 122.59 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.2 mt -117.86 129.98 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.294 0.568 . . . . 0.0 109.865 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.9 131.24 41.27 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.08 127.99 34.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.947 -1.096 . . . . 0.0 110.604 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -98.09 167.39 10.92 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 . . . . . 0 C--N 1.3 -1.549 0 CA-C-O 121.933 0.873 . . . . 0.0 111.35 -177.026 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.576 0.703 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 m -139.72 143.45 37.04 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.65 109.11 4.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.646 -1.284 . . . . 0.0 108.83 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -67.55 -10.01 47.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.841 -0.537 . . . . 0.0 109.759 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -97.01 -42.84 7.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.367 -0.833 . . . . 0.0 110.754 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.6 p -129.13 5.14 5.3 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.857 -1.152 . . . . 0.0 110.737 -178.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 59.32 4.12 0.45 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.291 -0.881 . . . . 0.0 112.765 177.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -65.7 131.14 45.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.06 -1.65 . . . . 0.0 109.473 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -100.06 -9.29 22.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.516 -0.74 . . . . 0.0 109.67 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -100.02 120.08 39.27 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.278 -0.888 . . . . 0.0 109.181 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.42 ' CB ' HD22 ' A' ' 34' ' ' ASN . 10.0 t -163.14 142.93 6.91 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.12 -16.0 12.62 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.858 1.706 . . . . 0.0 112.358 179.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 ' NH2' ' A' ' 24' ' ' ARG . 39.6 tp -152.76 120.93 6.23 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 -179.366 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -79.99 127.09 31.87 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.696 0.76 . . . . 0.0 109.752 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.516 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.0 mmt180 -110.79 176.97 4.82 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.491 ' CD ' ' N ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -142.18 155.48 45.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.192 -0.943 . . . . 0.0 109.146 179.04 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.547 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.0 t30 -87.98 141.84 31.68 Favored Pre-proline 0 N--CA 1.489 1.509 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -47.12 -9.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 120.844 1.029 . . . . 0.0 111.398 178.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.7 mt-10 -98.41 0.67 45.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.355 -0.84 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.18 61.02 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 121.365 -0.834 . . . . 0.0 111.244 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -95.31 111.9 56.77 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.83 -1.394 . . . . 0.0 108.997 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.34 136.23 25.46 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.612 1.541 . . . . 0.0 113.091 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.5 mt -129.43 159.71 35.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.59 -145.44 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.516 -1.365 . . . . 0.0 108.095 178.216 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 3.5 p30 -80.8 -65.65 0.98 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.892 -1.13 . . . . 0.0 111.343 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.62 -40.02 95.64 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -176.807 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.3 m -56.65 -56.08 25.86 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.219 -1.551 . . . . 0.0 110.692 -178.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.09 -48.43 86.15 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.92 -40.92 95.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.085 -1.244 . . . . 0.0 110.212 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 61.0 t80 -71.3 -51.43 24.41 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.555 -0.715 . . . . 0.0 111.064 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.63 -50.03 75.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.813 . . . . 0.0 111.087 -177.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.91 -46.02 90.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.864 -1.148 . . . . 0.0 110.661 -179.143 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.95 -34.29 73.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.301 -0.874 . . . . 0.0 110.443 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 59.4 m80 -85.78 -40.81 15.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.668 -1.27 . . . . 0.0 110.279 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.34 9.53 30.73 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.65 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.21 140.05 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.005 -1.291 . . . . 0.0 109.966 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.46 141.04 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.568 -0.707 . . . . 0.0 110.086 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' PRO . 27.8 ttm180 -159.99 136.6 6.53 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' ARG . 8.6 Cg_exo -29.39 113.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 122.65 2.234 . . . . 0.0 113.691 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.56 -8.19 4.08 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 48' ' ' PRO . 58.5 p -55.52 -13.04 1.33 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.82 -32.13 69.09 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -59.84 159.39 9.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.509 -0.745 . . . . 0.0 109.184 178.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 t -144.81 151.69 39.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.034 -1.041 . . . . 0.0 110.327 178.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -89.3 -4.26 58.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.3 t -109.63 127.2 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -123.31 139.15 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 121.653 0.739 . . . . 0.0 110.085 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -85.46 133.1 34.11 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -84.18 132.32 34.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.189 -0.944 . . . . 0.0 109.296 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 2.3 mmp_? -103.71 169.52 8.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.306 -0.871 . . . . 0.0 109.699 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m120 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.91 0.862 . . . . 0.0 110.738 -178.465 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 m . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -138.03 144.06 40.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.556 -0.715 . . . . 0.0 109.23 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.2 t -72.45 111.55 7.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.828 . . . . 0.0 109.469 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 p -66.52 -9.69 37.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.76 . . . . 0.0 109.599 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -99.8 -39.79 8.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.412 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.639 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.0 p -133.56 11.53 4.08 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.719 -1.238 . . . . 0.0 110.794 -178.734 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 48.4 p90 44.1 7.06 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 178.305 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.639 HG22 ' SG ' ' A' ' 15' ' ' CYS . 14.2 t -60.81 132.63 54.49 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.451 -1.406 . . . . 0.0 109.165 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.5 -0.06 41.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -179.292 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -113.37 116.74 30.14 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.581 -0.7 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -166.68 146.87 5.03 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.141 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.67 -17.9 12.27 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.101 1.867 . . . . 0.0 112.802 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD23 ' NH2' ' A' ' 24' ' ' ARG . 29.8 tp -153.29 126.77 8.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.875 -1.14 . . . . 0.0 110.725 -178.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -86.6 128.6 35.0 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.209 0.528 . . . . 0.0 109.587 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.436 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.7 mmt180 -110.65 175.1 5.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.556 -0.715 . . . . 0.0 109.442 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 25' ' ' ARG . 18.5 ptt-85 -136.78 151.73 49.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.296 -0.877 . . . . 0.0 110.037 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.5 t-20 -92.07 141.21 24.98 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.05 -11.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.431 1.421 . . . . 0.0 112.456 178.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.6 mm-40 -102.17 4.06 39.07 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.203 -0.936 . . . . 0.0 110.103 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.93 17.87 60.63 Favored Glycine 0 N--CA 1.495 2.593 0 O-C-N 121.172 -0.955 . . . . 0.0 111.699 179.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -93.35 113.07 59.08 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 120.631 -1.511 . . . . 0.0 109.01 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.65 131.15 32.43 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.926 1.75 . . . . 0.0 113.83 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -126.07 159.01 33.97 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.8 p -85.18 -142.73 0.09 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.374 -1.454 . . . . 0.0 108.575 178.418 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 10.9 p-10 -80.86 -69.82 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.919 -1.113 . . . . 0.0 111.479 -179.401 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -60.0 -38.09 81.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.32 -0.863 . . . . 0.0 113.037 -177.126 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.2 m -58.4 -54.91 41.71 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.161 -1.587 . . . . 0.0 110.065 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.4 94.58 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD21 ' CZ ' ' A' ' 24' ' ' ARG . 59.7 mt -66.86 -39.99 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.053 -1.263 . . . . 0.0 110.438 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 66.0 t80 -75.62 -50.04 16.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.384 -0.822 . . . . 0.0 111.527 -178.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.08 -50.05 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.061 -1.024 . . . . 0.0 109.939 -178.019 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -59.96 -46.87 88.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.889 -1.132 . . . . 0.0 110.17 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -37.45 75.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.203 -0.936 . . . . 0.0 111.293 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 71.1 m80 -88.57 -34.99 17.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.7 -1.25 . . . . 0.0 110.563 -178.601 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.28 10.32 47.25 Favored Glycine 0 N--CA 1.49 2.292 0 O-C-N 120.74 -1.225 . . . . 0.0 110.67 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.99 142.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.041 -1.27 . . . . 0.0 109.891 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.6 m -60.0 148.25 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.316 -0.865 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' PRO . 15.7 tpp180 -150.37 136.29 10.55 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.8 Cg_exo -28.88 105.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 122.497 2.131 . . . . 0.0 113.373 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.3 mt -60.29 -14.1 16.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.8 m -55.92 -7.67 0.35 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.566 -0.709 . . . . 0.0 110.0 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.402 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.5 mt -71.69 -28.97 64.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.096 -1.002 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -50.46 151.8 2.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.467 -0.771 . . . . 0.0 109.562 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.61 152.49 40.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.334 -0.854 . . . . 0.0 109.676 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -86.88 -10.09 54.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.332 -0.855 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.4 132.08 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.162 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -119.65 140.15 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.486 -0.759 . . . . 0.0 109.954 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -72.71 122.41 21.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.47 -0.769 . . . . 0.0 109.185 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.74 126.93 31.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.123 -0.985 . . . . 0.0 109.918 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.34 169.11 8.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.468 -0.77 . . . . 0.0 109.328 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 . . . . . 0 C--N 1.301 -1.526 0 CA-C-O 121.992 0.901 . . . . 0.0 110.772 -178.283 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.647 0.737 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -140.97 146.82 37.83 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -80.09 110.92 15.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.785 -1.197 . . . . 0.0 108.755 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.1 p -67.47 -9.83 45.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.632 -0.667 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.549 ' ND2' HD22 ' A' ' 32' ' ' LEU . 51.7 m-20 -99.26 -41.03 7.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 110.845 -178.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.668 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.3 p -129.23 2.3 5.17 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.801 -1.187 . . . . 0.0 111.109 -177.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.49 4.03 0.32 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.202 -0.936 . . . . 0.0 112.988 177.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.668 HG22 ' SG ' ' A' ' 15' ' ' CYS . 8.6 t -67.53 133.81 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.364 -1.46 . . . . 0.0 109.729 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -100.81 -2.3 32.6 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.497 -0.752 . . . . 0.0 109.654 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 m -105.12 118.78 37.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.275 -0.891 . . . . 0.0 109.916 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -165.26 145.7 5.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.066 -1.021 . . . . 0.0 110.306 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.88 -16.21 11.52 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.089 1.859 . . . . 0.0 111.674 178.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD23 ' NH2' ' A' ' 24' ' ' ARG . 32.4 tp -153.53 128.67 9.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.11 -0.994 . . . . 0.0 110.386 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -88.87 125.97 35.17 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.783 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.471 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.9 mmt180 -108.34 174.31 5.93 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -138.96 150.21 45.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.136 -0.978 . . . . 0.0 110.453 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.508 HD21 ' CD2' ' A' ' 40' ' ' LEU . 9.1 t-20 -88.92 142.34 30.31 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.98 -6.36 0.66 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.452 1.435 . . . . 0.0 111.014 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 26' ' ' ASN . 98.5 mt-10 -92.05 1.26 57.31 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.43 6.92 80.21 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.51 141.67 32.44 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.729 -1.453 . . . . 0.0 108.889 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.65 141.29 19.5 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.004 1.803 . . . . 0.0 112.929 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.549 HD22 ' ND2' ' A' ' 14' ' ' ASN . 90.3 mt -130.74 159.8 36.22 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.004 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -82.28 -144.32 0.06 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.629 -1.294 . . . . 0.0 108.364 178.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.7 p-10 -80.28 -67.6 0.75 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.045 . . . . 0.0 111.806 -179.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.479 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -40.01 96.37 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -176.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.6 m -55.21 -54.89 37.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.133 -1.604 . . . . 0.0 109.811 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.3 -47.27 83.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.24 -39.97 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.273 . . . . 0.0 109.992 179.278 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.67 -57.05 6.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.594 -0.691 . . . . 0.0 111.815 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' CD2' HD21 ' A' ' 26' ' ' ASN . 17.4 tp -60.01 -49.98 75.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.016 -1.052 . . . . 0.0 110.048 -176.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 2.8 ttmp? -60.94 -50.22 74.28 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.973 -1.08 . . . . 0.0 111.183 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.03 -38.83 75.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.09 -1.006 . . . . 0.0 111.313 -178.074 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -83.92 -46.44 12.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.669 -1.269 . . . . 0.0 110.832 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.12 1.74 64.32 Favored Glycine 0 N--CA 1.491 2.367 0 C-N-CA 119.549 -1.31 . . . . 0.0 110.589 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.0 m -136.22 141.54 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.199 -1.177 . . . . 0.0 109.75 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -60.41 144.23 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.705 -0.622 . . . . 0.0 110.16 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 48' ' ' PRO . 44.1 ttt180 -152.51 137.38 10.86 Favored Pre-proline 0 N--CA 1.492 1.633 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 50' ' ' SER . 27.5 Cg_exo -30.37 101.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 122.616 2.211 . . . . 0.0 113.063 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.59 -9.36 1.12 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.396 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 48' ' ' PRO . 59.7 p -59.86 -10.07 3.58 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.99 -30.05 66.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.85 157.42 2.39 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 151.53 39.59 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.902 -1.124 . . . . 0.0 109.912 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -85.67 -3.8 58.98 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -113.17 128.65 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -119.95 133.37 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 109.256 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -77.82 128.97 34.84 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.876 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -85.09 132.41 34.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.376 -0.827 . . . . 0.0 109.72 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -102.1 170.26 8.22 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.071 -1.018 . . . . 0.0 109.23 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.318 -0.864 . . . . 0.0 110.662 -178.023 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 149.92 43.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.505 -0.747 . . . . 0.0 109.299 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -77.02 110.8 11.95 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 0.0 108.921 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 p -67.49 -10.36 50.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.67 -0.644 . . . . 0.0 109.431 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -96.77 -42.54 7.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.0 110.59 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.567 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.8 p -128.36 4.79 5.71 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.077 -1.014 . . . . 0.0 110.938 -178.105 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 57.08 1.99 0.1 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.278 -0.889 . . . . 0.0 112.616 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -61.93 133.38 55.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.183 -1.573 . . . . 0.0 108.837 -179.309 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.87 -12.94 18.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 0.0 109.439 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -101.37 121.23 41.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.041 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.8 t -163.46 144.77 7.35 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.274 -0.891 . . . . 0.0 109.856 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.13 -20.41 11.42 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.356 2.038 . . . . 0.0 112.085 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD23 HH21 ' A' ' 24' ' ' ARG . 25.1 tp -151.56 125.02 8.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.212 -0.93 . . . . 0.0 109.999 -179.174 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -86.14 127.03 34.64 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.545 HH21 HD23 ' A' ' 22' ' ' LEU . 27.0 mmt180 -107.76 173.61 6.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.407 -0.808 . . . . 0.0 109.196 -179.29 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 25' ' ' ARG . 49.7 mtt-85 -139.91 148.67 42.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.827 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.7 t30 -91.5 140.62 25.41 Favored Pre-proline 0 N--CA 1.49 1.542 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.0 -4.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.34 1.36 . . . . 0.0 112.118 178.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -99.1 -1.82 38.59 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.069 -1.019 . . . . 0.0 109.344 179.184 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 20.36 55.67 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -96.6 111.01 55.85 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 120.933 -1.334 . . . . 0.0 109.002 179.025 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -50.24 136.34 38.68 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.632 1.554 . . . . 0.0 112.835 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.1 mt -132.6 160.51 36.42 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.0 p -83.5 -145.72 0.08 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.667 -1.271 . . . . 0.0 108.326 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.815 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -80.73 -68.93 0.64 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.107 -0.996 . . . . 0.0 112.204 -179.464 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.752 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.44 -36.7 78.83 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.762 -1.211 . . . . 0.0 113.585 -176.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.3 m -59.18 -56.92 15.95 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.19 -1.569 . . . . 0.0 110.672 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -45.26 96.22 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.444 -1.033 . . . . 0.0 110.258 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 85.5 t80 -73.01 -50.99 19.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 112.083 -178.557 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.31 -50.49 73.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.028 -1.045 . . . . 0.0 111.301 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.05 -47.14 87.11 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.034 -1.041 . . . . 0.0 110.036 -179.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.11 -34.65 73.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.406 -0.809 . . . . 0.0 111.054 -178.03 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.573 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 67.4 m80 -91.23 -41.07 11.18 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.297 -1.502 . . . . 0.0 110.942 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.27 9.33 57.41 Favored Glycine 0 N--CA 1.491 2.339 0 O-C-N 120.496 -1.378 . . . . 0.0 110.959 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.41 141.71 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.846 -1.385 . . . . 0.0 109.676 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.57 143.44 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.462 -0.774 . . . . 0.0 111.201 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' A' ' 47' ' ' ARG . 21.5 ttm-85 -153.09 136.36 9.89 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -33.92 113.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.182 1.921 . . . . 0.0 113.188 -179.318 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 51' ' ' LEU . 85.1 mt -62.0 -10.13 9.0 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -54.98 -11.2 0.6 Allowed 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 49' ' ' LEU . 94.6 mt -70.55 -30.86 67.7 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.593 ' NZ ' HD21 ' A' ' 34' ' ' ASN . 46.4 tptt -60.43 160.08 9.31 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.17 157.53 43.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.762 -1.211 . . . . 0.0 110.041 179.021 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -89.34 -6.22 56.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.406 -0.809 . . . . 0.0 109.162 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.62 127.61 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.3 mt -122.82 135.22 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.411 -0.805 . . . . 0.0 110.393 -178.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -78.69 129.68 34.98 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.18 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.58 133.98 34.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.927 179.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -100.98 170.33 8.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 108.907 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--N 1.3 -1.555 0 CA-C-O 121.675 0.75 . . . . 0.0 110.051 -178.963 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.498 0.666 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.49 145.39 35.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.442 -0.787 . . . . 0.0 109.18 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.88 109.79 4.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.997 -1.064 . . . . 0.0 109.559 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.4 p -68.14 -9.02 43.45 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.668 -0.645 . . . . 0.0 109.31 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -96.13 -41.79 8.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.325 -0.859 . . . . 0.0 110.693 -179.293 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' HG22 ' A' ' 17' ' ' THR . 15.0 p -129.35 10.92 5.81 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.803 -1.186 . . . . 0.0 111.419 -178.594 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 54.54 2.53 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.909 -1.119 . . . . 0.0 112.854 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.549 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -64.5 134.08 53.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.237 -1.539 . . . . 0.0 109.29 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -100.17 -15.06 18.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.347 -0.846 . . . . 0.0 109.551 -179.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 m -96.75 122.25 39.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.014 -1.054 . . . . 0.0 109.224 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 t -161.07 142.36 8.76 Favored Pre-proline 0 N--CA 1.487 1.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.96 -20.1 11.9 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.8 1.666 . . . . 0.0 112.268 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.585 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.3 tp -155.73 123.3 5.57 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.069 -1.019 . . . . 0.0 109.561 -179.2 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -81.19 128.68 34.04 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.794 -0.566 . . . . 0.0 111.186 -177.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.64 ' HE ' HD22 ' A' ' 34' ' ' ASN . 29.0 mmt180 -109.55 177.74 4.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.351 -0.843 . . . . 0.0 109.827 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 25' ' ' ARG . 5.8 ptt-85 -141.57 158.41 43.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.365 -0.834 . . . . 0.0 109.778 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.0 t-20 -94.98 145.11 28.96 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.287 -0.883 . . . . 0.0 109.333 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.42 -11.26 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.433 1.422 . . . . 0.0 112.104 178.241 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -100.03 4.16 44.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.324 -0.86 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.67 16.83 65.06 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 121.511 -0.743 . . . . 0.0 111.54 179.571 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.47 140.56 24.12 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 120.532 -1.569 . . . . 0.0 108.463 178.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.49 137.51 20.75 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.25 1.967 . . . . 0.0 113.698 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -134.19 159.96 39.3 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -88.99 -175.9 4.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.64 HD22 ' HE ' ' A' ' 24' ' ' ARG . 17.2 m120 -65.03 -40.09 94.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.58 -1.325 . . . . 0.0 111.355 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.85 -53.27 28.15 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 111.452 -179.015 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.44 -51.22 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.546 -1.346 . . . . 0.0 111.588 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.27 -49.95 72.99 Favored Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.344 -178.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 24' ' ' ARG . 81.6 mt -67.05 -40.07 87.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.102 -1.234 . . . . 0.0 110.007 179.803 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.632 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.4 t80 -71.54 -47.69 53.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.556 -0.715 . . . . 0.0 111.094 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.76 -52.71 63.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.364 -0.835 . . . . 0.0 111.551 -176.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.1 -43.69 95.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.767 -1.208 . . . . 0.0 110.375 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.9 -39.3 76.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 111.375 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.632 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.7 m80 -87.14 -39.96 15.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.651 -1.281 . . . . 0.0 110.533 -178.409 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.87 9.72 63.29 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.707 178.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.26 145.4 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.923 -1.34 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -57.53 146.97 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.401 -0.812 . . . . 0.0 109.268 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.496 HH11 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -150.1 133.86 8.88 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.597 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ARG . 46.5 Cg_exo -31.78 98.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.151 1.901 . . . . 0.0 113.532 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.0 mt -61.14 -9.41 4.65 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PRO . 36.4 m -55.98 -5.46 0.17 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 49' ' ' LEU . 91.6 mt -77.07 -16.23 59.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 0.0 108.822 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -55.39 148.6 14.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.418 -0.802 . . . . 0.0 109.557 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.17 152.07 40.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 109.396 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.98 128.81 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.42 130.54 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.597 -0.69 . . . . 0.0 109.192 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.51 127.4 32.45 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.297 -0.877 . . . . 0.0 108.877 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.55 129.72 34.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG3' HH11 ' A' ' 59' ' ' ARG . 25.6 mmm-85 -101.08 167.76 10.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 -179.651 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.935 0.874 . . . . 0.0 110.904 -178.307 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.556 0.693 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m -140.75 144.28 35.42 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.94 110.15 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.0 108.461 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 p -67.14 -9.7 42.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.745 -0.597 . . . . 0.0 109.717 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.564 ' ND2' HD22 ' A' ' 32' ' ' LEU . 56.9 m-20 -97.88 -38.99 9.21 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.199 -0.938 . . . . 0.0 110.525 -178.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.0 p -133.46 1.6 3.44 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.759 -1.213 . . . . 0.0 110.96 -178.446 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 62.86 2.54 1.01 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.368 -0.832 . . . . 0.0 112.813 178.084 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.577 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -66.82 134.61 52.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.281 -1.512 . . . . 0.0 110.871 -178.354 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -100.29 -11.6 20.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.543 -0.723 . . . . 0.0 109.921 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 m -98.68 118.13 34.7 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.83 -1.169 . . . . 0.0 109.731 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.542 ' CB ' HD22 ' A' ' 34' ' ' ASN . 5.8 t -164.53 145.38 6.49 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.01 -17.37 10.73 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.957 1.771 . . . . 0.0 112.317 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.7 tp -150.86 123.56 8.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.033 . . . . 0.0 110.119 -178.176 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -83.95 123.49 30.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -105.56 171.17 7.47 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.54 157.41 43.67 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.576 0.703 . . . . 0.0 109.499 -179.569 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.8 t30 -97.06 141.07 22.5 Favored Pre-proline 0 N--CA 1.49 1.559 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.65 -9.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.556 1.504 . . . . 0.0 112.06 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -98.28 6.26 47.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.744 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.23 82.9 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -89.84 141.12 28.0 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 120.737 -1.449 . . . . 0.0 108.566 179.055 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -75.49 132.15 14.49 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.43 2.086 . . . . 0.0 112.867 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' ND2' ' A' ' 14' ' ' ASN . 80.1 mt -124.55 160.93 27.25 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 -143.51 0.1 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.356 -1.465 . . . . 0.0 108.432 177.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.56 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 4.0 p30 -80.99 -69.66 0.59 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.016 -1.052 . . . . 0.0 111.476 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.56 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.34 -38.29 83.29 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.616 -0.678 . . . . 0.0 112.798 -176.592 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.37 -56.59 20.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.352 -1.467 . . . . 0.0 110.156 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.97 93.33 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.44 -44.51 90.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.173 -1.192 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 53.2 t80 -70.51 -46.22 64.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.768 -0.582 . . . . 0.0 111.531 -178.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.5 -50.64 70.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.995 . . . . 0.0 110.512 -177.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -62.31 -46.35 89.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.859 -1.151 . . . . 0.0 110.482 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -39.86 78.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 111.082 -178.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 56.6 m80 -87.23 -41.24 13.86 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.408 -1.432 . . . . 0.0 110.599 -178.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 9.47 47.14 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.818 -1.176 . . . . 0.0 110.989 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.63 141.71 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.078 -1.248 . . . . 0.0 109.542 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 46' ' ' VAL . 17.3 m -60.65 141.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.233 0.539 . . . . 0.0 110.166 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 36.8 ttt180 -153.01 138.42 11.58 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.387 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.9 Cg_exo -29.97 105.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.873 2.382 . . . . 0.0 114.3 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.9 -13.3 14.9 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 p -57.98 -9.97 1.6 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.539 0.685 . . . . 0.0 109.32 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.4 mt -71.62 -22.7 61.67 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.034 -1.041 . . . . 0.0 108.307 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.6 ttpt -55.17 160.25 2.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.95 . . . . 0.0 110.595 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -144.09 147.79 34.25 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.53 0.681 . . . . 0.0 109.658 178.858 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -87.36 -7.61 57.56 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.385 -0.822 . . . . 0.0 109.345 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.2 p -108.5 128.08 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.067 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.7 mt -119.52 135.61 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.532 -0.73 . . . . 0.0 109.317 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -74.1 124.27 25.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.0 108.859 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -79.94 128.53 33.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.729 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -98.6 165.04 12.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.049 -1.032 . . . . 0.0 108.978 179.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.949 . . . . 0.0 110.656 -178.769 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -138.68 144.78 39.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.293 -0.879 . . . . 0.0 109.059 179.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.1 t -72.83 111.57 8.08 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.013 -1.054 . . . . 0.0 109.449 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.1 p -66.66 -9.23 33.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.853 -0.529 . . . . 0.0 109.623 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.564 ' ND2' HD22 ' A' ' 32' ' ' LEU . 65.0 m-20 -99.73 -40.09 7.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.373 -0.829 . . . . 0.0 110.726 -179.15 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.1 p -132.79 5.43 3.94 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.734 -1.229 . . . . 0.0 111.94 -177.522 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 56.59 4.34 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.893 -1.129 . . . . 0.0 112.68 177.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.592 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -65.59 132.41 48.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.134 -1.604 . . . . 0.0 110.043 -179.091 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -98.06 -5.14 34.51 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.7 m -103.95 117.35 34.1 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.225 -0.922 . . . . 0.0 109.776 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 t -164.47 146.46 6.98 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -82.51 -15.47 8.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.844 1.696 . . . . 0.0 112.167 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.528 HD23 ' NH2' ' A' ' 24' ' ' ARG . 24.6 tp -154.7 123.45 6.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.14 -0.975 . . . . 0.0 110.59 -178.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -83.25 126.72 32.96 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.55 0.69 . . . . 0.0 109.576 179.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.528 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.0 mmt180 -108.27 178.89 4.37 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.536 ' HG2' HH11 ' A' ' 25' ' ' ARG . 7.0 ptt-85 -142.43 150.32 40.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.272 -0.893 . . . . 0.0 109.493 179.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.9 t30 -87.94 142.06 31.93 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -45.57 -10.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.374 1.383 . . . . 0.0 112.593 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.0 mt-10 -99.95 4.04 44.72 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.957 -1.089 . . . . 0.0 108.934 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 19.37 60.66 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.399 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -95.45 110.13 49.13 Favored Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 120.777 -1.425 . . . . 0.0 108.353 178.725 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.65 135.51 27.49 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.721 1.614 . . . . 0.0 113.482 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' ND2' ' A' ' 14' ' ' ASN . 87.4 mt -128.99 162.23 28.08 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.527 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 27.8 p -85.85 -145.21 0.11 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.41 -1.431 . . . . 0.0 108.483 178.143 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.501 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -80.45 -66.93 0.82 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.776 -1.203 . . . . 0.0 111.829 -178.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.53 -39.43 93.53 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -176.564 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.59 -54.88 41.91 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.12 -1.613 . . . . 0.0 110.562 -178.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.04 -42.37 98.19 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.275 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.36 -42.2 79.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.28 -1.129 . . . . 0.0 111.8 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 30.9 t80 -78.89 -46.13 19.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 111.184 -179.002 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.04 -49.99 75.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.0 109.918 -177.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.03 -42.83 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 0.0 110.6 -179.239 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.01 -33.49 72.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.207 -0.933 . . . . 0.0 111.744 -178.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.6 m80 -92.07 -30.04 16.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.661 -1.275 . . . . 0.0 110.583 -178.095 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 12.38 41.73 Favored Glycine 0 N--CA 1.492 2.43 0 O-C-N 120.671 -1.268 . . . . 0.0 111.099 178.404 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.39 168.42 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.032 -1.275 . . . . 0.0 109.626 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -54.49 149.15 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.063 -179.223 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -128.87 134.85 26.77 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.84 102.91 1.27 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.967 1.111 . . . . 0.0 109.334 178.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -58.61 -10.91 2.53 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.46 -0.775 . . . . 0.0 109.286 -178.347 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -61.56 -15.67 40.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.638 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.44 -29.94 59.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.137 -0.977 . . . . 0.0 109.419 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -53.32 155.05 2.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.857 . . . . 0.0 109.728 -179.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.06 160.1 43.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.271 -0.893 . . . . 0.0 109.454 179.179 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -86.23 -5.61 59.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 108.75 179.283 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.23 127.51 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.04 135.77 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.414 -0.804 . . . . 0.0 109.624 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -74.21 121.69 21.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.199 -0.938 . . . . 0.0 108.79 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.31 134.63 34.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 108.64 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.48 HH11 ' HG2' ' A' ' 59' ' ' ARG . 5.9 mmt-85 -101.32 165.39 11.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 108.67 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.558 -0.714 . . . . 0.0 109.7 -179.014 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.1 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 m -138.16 144.84 40.93 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.7 t -72.61 109.25 6.12 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.263 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -67.84 -9.62 46.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 109.743 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.56 -40.12 8.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.349 -0.844 . . . . 0.0 111.401 -178.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.0 p -126.71 1.36 6.77 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.766 -1.209 . . . . 0.0 111.152 -178.157 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 61.64 2.62 0.72 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.294 -0.878 . . . . 0.0 113.106 177.314 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.563 HG22 ' SG ' ' A' ' 15' ' ' CYS . 11.6 t -64.88 133.23 51.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.139 -1.6 . . . . 0.0 109.437 -179.034 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -97.09 -13.75 21.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.854 . . . . 0.0 110.221 -178.519 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 m -104.13 126.27 51.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.282 -0.886 . . . . 0.0 108.956 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.6 t -164.51 145.38 6.51 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.172 -0.955 . . . . 0.0 109.83 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.63 -20.89 11.79 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.386 2.057 . . . . 0.0 112.418 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD23 ' NH2' ' A' ' 24' ' ' ARG . 38.6 tp -153.44 121.96 6.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.99 . . . . 0.0 110.243 -178.53 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -81.05 123.35 28.3 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' NH2' HD23 ' A' ' 22' ' ' LEU . 32.3 mmt180 -103.6 172.57 6.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 109.072 -179.238 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -132.93 147.09 52.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 -179.535 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.4 t30 -88.22 140.12 30.5 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.441 -0.787 . . . . 0.0 109.135 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -42.04 -16.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.469 1.446 . . . . 0.0 112.249 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.2 mt-10 -100.06 6.84 44.99 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.116 -0.99 . . . . 0.0 110.041 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.91 15.99 66.33 Favored Glycine 0 N--CA 1.494 2.565 0 O-C-N 121.268 -0.895 . . . . 0.0 111.872 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -92.67 114.58 62.89 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 120.526 -1.573 . . . . 0.0 109.464 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.04 135.39 24.04 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.548 2.166 . . . . 0.0 114.229 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.3 mt -133.22 158.38 43.02 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.36 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -84.14 -140.22 0.07 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.221 -1.55 . . . . 0.0 108.448 177.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 5.8 p-10 -81.44 -69.34 0.62 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.949 -1.094 . . . . 0.0 111.347 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.5 -34.72 78.39 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.0 m -57.69 -53.6 56.41 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.048 -1.657 . . . . 0.0 110.53 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -39.89 91.19 Favored Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.515 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.77 -40.18 76.22 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.046 -1.267 . . . . 0.0 111.946 -178.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 54.2 t80 -78.21 -44.92 24.38 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.831 -1.168 . . . . 0.0 110.928 -179.277 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.8 -52.93 61.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.702 -177.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.39 -45.49 93.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.849 -1.157 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.14 -33.35 74.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.339 -0.851 . . . . 0.0 111.948 -177.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.613 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 69.5 m80 -98.13 -20.22 17.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.648 -1.283 . . . . 0.0 110.077 -178.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.61 13.5 58.85 Favored Glycine 0 N--CA 1.494 2.516 0 O-C-N 120.806 -1.184 . . . . 0.0 110.934 178.159 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.17 162.23 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.325 -1.103 . . . . 0.0 109.07 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -50.53 157.89 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -107.53 133.16 20.51 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.343 -0.848 . . . . 0.0 109.23 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 50' ' ' SER . 23.0 Cg_endo -65.25 84.29 0.2 Allowed 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 120.799 1.0 . . . . 0.0 109.545 178.294 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.74 -8.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.627 -0.67 . . . . 0.0 109.49 -178.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 48' ' ' PRO . 44.5 p -60.01 -15.14 20.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 108.682 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.7 mt -84.08 13.29 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.372 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -58.45 122.35 13.11 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.666 0.746 . . . . 0.0 109.265 179.588 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -145.64 145.49 30.95 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.699 0.761 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.46 -0.76 54.49 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.474 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.7 t -113.29 130.0 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.9 mt -120.03 132.29 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -68.82 124.25 23.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.218 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -86.56 132.05 34.01 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.376 -0.828 . . . . 0.0 109.527 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.475 HH11 ' HG3' ' A' ' 59' ' ' ARG . 20.6 mmm-85 -100.47 172.31 7.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.357 -0.839 . . . . 0.0 109.037 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.358 -0.839 . . . . 0.0 111.204 -177.709 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.415 0.626 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -147.57 140.26 24.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.7 t -69.74 110.04 4.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.876 -1.14 . . . . 0.0 109.644 -179.865 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.7 p -67.19 -10.22 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.699 -0.626 . . . . 0.0 109.955 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.519 ' ND2' HD22 ' A' ' 32' ' ' LEU . 73.5 m-20 -98.88 -39.19 8.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.173 -0.954 . . . . 0.0 110.4 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.599 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.0 p -133.32 4.49 3.71 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.829 -1.17 . . . . 0.0 111.394 -178.162 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 56.88 5.36 0.22 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.914 -1.117 . . . . 0.0 113.003 177.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.599 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -66.67 133.16 49.66 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.137 -1.602 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -101.63 -3.27 28.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.361 -0.837 . . . . 0.0 109.305 178.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 m -102.64 110.92 23.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.444 -0.785 . . . . 0.0 109.503 -179.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t -165.08 147.82 6.94 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.133 -0.979 . . . . 0.0 109.878 179.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -83.53 -16.21 6.97 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.359 2.039 . . . . 0.0 112.679 179.295 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 ' NH2' ' A' ' 24' ' ' ARG . 24.3 tp -152.86 119.64 5.71 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.968 -1.082 . . . . 0.0 109.689 -179.226 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -82.61 130.62 35.15 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.553 -179.229 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.58 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.6 mmt180 -110.08 176.04 5.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.081 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -134.03 147.3 50.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.81 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLU . 18.9 t-20 -87.75 142.96 32.95 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.647 -0.658 . . . . 0.0 109.725 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.38 -12.56 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.998 1.798 . . . . 0.0 113.074 178.385 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' ASN . 64.4 mm-40 -98.71 9.44 43.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.841 -1.162 . . . . 0.0 109.212 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.21 9.79 86.68 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 120.335 -0.936 . . . . 0.0 110.995 178.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.42 146.06 41.21 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.573 -1.546 . . . . 0.0 107.863 178.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.79 131.85 12.62 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 121.594 1.529 . . . . 0.0 113.425 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.519 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.4 mt -122.14 161.15 23.66 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.374 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 p -84.49 -147.82 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.083 -1.636 . . . . 0.0 108.861 178.676 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.467 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 7.4 p-10 -79.89 -64.42 1.19 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.856 -1.153 . . . . 0.0 111.532 -179.083 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.76 86.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.003 -1.061 . . . . 0.0 113.597 -177.12 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -59.2 -55.7 31.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.142 -1.598 . . . . 0.0 111.128 -178.02 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.09 96.26 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.43 -40.64 89.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -1.211 . . . . 0.0 110.25 179.704 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 56.6 t80 -77.74 -48.91 15.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.288 -0.882 . . . . 0.0 112.422 -178.483 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.877 -1.139 . . . . 0.0 110.721 -176.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -60.01 -48.4 81.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.903 -1.123 . . . . 0.0 110.193 -179.542 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.76 -35.93 79.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 0.0 111.254 -177.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 57.9 m80 -88.91 -34.0 17.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.563 -1.336 . . . . 0.0 110.546 -178.546 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.67 11.19 2.61 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.848 -1.158 . . . . 0.0 111.669 178.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.83 140.33 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 CA-C-N 119.022 1.411 . . . . 0.0 110.122 179.732 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.5 m -59.05 141.18 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.572 -0.705 . . . . 0.0 109.678 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 47' ' ' ARG . 4.6 ttt-85 -155.73 136.65 9.08 Favored Pre-proline 0 N--CA 1.49 1.529 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' SER . 50.4 Cg_exo -34.13 110.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.095 1.864 . . . . 0.0 113.84 -178.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 51' ' ' LEU . 85.8 mt -63.28 -9.36 11.32 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.56 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 48' ' ' PRO . 56.2 p -53.72 -8.99 0.18 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 49' ' ' LEU . 85.4 mt -69.99 -26.74 64.22 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.783 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -50.93 147.12 5.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.629 0.728 . . . . 0.0 109.705 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.45 150.13 38.58 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.606 -0.683 . . . . 0.0 109.18 178.746 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -85.41 -8.73 58.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.443 -0.785 . . . . 0.0 109.262 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -108.2 121.35 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.4 mt -112.08 130.06 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.637 -0.664 . . . . 0.0 109.279 -179.161 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.54 122.77 24.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 109.091 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.84 132.03 34.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -0.881 . . . . 0.0 108.749 179.308 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -100.02 166.95 10.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.328 -0.858 . . . . 0.0 108.961 -179.496 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.563 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.557 0 O-C-N 121.515 -0.741 . . . . 0.0 109.952 -178.569 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 m -142.66 147.78 36.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.245 -0.909 . . . . 0.0 109.159 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.8 t -74.39 109.1 7.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.988 -1.07 . . . . 0.0 108.838 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 p -67.59 -9.97 47.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.643 -0.661 . . . . 0.0 109.725 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.511 ' O ' HD13 ' A' ' 49' ' ' LEU . 1.9 m120 -96.3 -37.68 10.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.127 -0.983 . . . . 0.0 110.193 -179.794 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.7 p -134.42 8.43 3.66 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.74 -1.225 . . . . 0.0 112.15 -178.492 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 56.83 2.75 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.757 -1.214 . . . . 0.0 112.843 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.1 t -63.67 130.93 46.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.015 -1.678 . . . . 0.0 109.126 -179.248 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -100.04 -7.13 25.39 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -100.64 117.53 34.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.217 -0.927 . . . . 0.0 109.049 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -163.3 144.88 7.56 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.133 -0.979 . . . . 0.0 109.288 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.16 -18.43 7.38 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.087 1.858 . . . . 0.0 112.757 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.571 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.5 tp -154.72 124.68 6.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.919 -1.113 . . . . 0.0 109.876 -178.844 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.17 126.98 33.21 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.752 0.787 . . . . 0.0 111.346 -178.181 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HE ' ' ND2' ' A' ' 34' ' ' ASN . 28.7 mmt180 -109.86 177.63 4.66 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.507 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -141.78 154.98 45.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.095 -1.003 . . . . 0.0 109.539 179.089 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.6 t-20 -91.65 144.39 29.42 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.29 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.216 1.277 . . . . 0.0 111.888 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.4 mt-10 -100.2 -0.04 39.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.35 -0.844 . . . . 0.0 109.646 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.59 17.18 60.62 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 121.395 -0.815 . . . . 0.0 111.658 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -94.62 112.39 57.67 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.629 -1.512 . . . . 0.0 109.276 179.123 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.67 133.86 27.03 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.718 1.612 . . . . 0.0 112.955 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -127.25 158.52 36.95 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 24.6 p -87.54 -173.08 4.18 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 176.127 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 11.1 m120 -68.67 -40.78 80.0 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.654 -1.279 . . . . 0.0 112.42 -178.588 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -50.67 55.39 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.634 -1.292 . . . . 0.0 111.003 -178.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.46 -52.72 63.37 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.669 -1.27 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.47 69.27 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 34' ' ' ASN . 50.1 mt -69.9 -41.27 74.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -1.223 . . . . 0.0 110.842 -179.69 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t80 -74.32 -47.98 31.21 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 111.227 -179.509 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.97 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.002 -1.061 . . . . 0.0 110.705 -177.584 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.98 -43.21 95.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.096 -1.003 . . . . 0.0 110.373 -179.499 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.56 -38.16 77.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.481 -0.762 . . . . 0.0 112.084 -178.499 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.561 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 29.8 m80 -93.06 -31.3 14.89 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.662 -1.274 . . . . 0.0 110.582 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 22.37 71.34 Favored Glycine 0 N--CA 1.493 2.491 0 O-C-N 120.663 -1.273 . . . . 0.0 111.492 178.316 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' ARG . 33.4 m -131.57 159.93 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.036 -1.273 . . . . 0.0 110.523 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 46' ' ' VAL . 2.5 m -53.02 90.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-O 122.258 1.028 . . . . 0.0 109.642 -179.673 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' VAL . 7.5 ttt-85 -51.05 110.27 1.7 Allowed Pre-proline 0 C--N 1.292 -1.909 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.383 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.18 98.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.31 1.34 . . . . 0.0 110.503 178.023 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 14' ' ' ASN . 55.3 mt -59.78 -10.57 3.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.341 -0.849 . . . . 0.0 109.67 -179.058 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 t -60.57 -14.26 19.03 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -79.57 -9.45 59.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 0.0 109.865 -178.542 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -51.99 139.36 22.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.087 -1.008 . . . . 0.0 110.487 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.08 154.39 41.1 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.474 0.654 . . . . 0.0 109.732 178.814 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -90.17 -6.87 54.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 110.41 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.14 125.94 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.099 -1.001 . . . . 0.0 109.664 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -120.47 135.8 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.551 -0.718 . . . . 0.0 109.487 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -76.25 125.15 28.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.021 -1.05 . . . . 0.0 109.91 -179.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -88.74 136.38 33.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -99.58 166.81 10.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.096 -1.003 . . . . 0.0 109.377 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 . . . . . 0 C--N 1.302 -1.469 0 O-C-N 121.536 -0.728 . . . . 0.0 109.931 -179.145 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.1 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.417 0.627 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -139.31 142.81 37.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -0.788 . . . . 0.0 109.43 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.3 t -70.15 110.05 4.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.158 -0.963 . . . . 0.0 109.047 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -66.46 -9.09 30.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.608 -0.682 . . . . 0.0 109.502 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -100.01 -39.79 7.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.398 -0.814 . . . . 0.0 111.157 -179.435 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.4 p -132.04 4.45 4.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.84 -1.163 . . . . 0.0 111.578 -177.735 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 55.58 3.45 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.942 -1.099 . . . . 0.0 112.641 177.676 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.0 t -62.52 130.42 45.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.279 -1.513 . . . . 0.0 109.349 -179.145 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -98.36 -12.63 21.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.444 -0.785 . . . . 0.0 110.126 -178.759 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -99.56 118.46 36.17 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.824 -1.173 . . . . 0.0 109.222 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -164.05 143.18 6.16 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.099 -1.001 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.72 -17.43 18.03 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.175 1.917 . . . . 0.0 112.423 178.766 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.472 HD23 ' NH2' ' A' ' 24' ' ' ARG . 19.7 tp -155.92 121.93 5.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.983 -1.073 . . . . 0.0 110.8 -178.59 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -81.1 127.63 32.85 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.0 mmt180 -109.9 179.58 4.08 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.416 -0.803 . . . . 0.0 109.374 -179.335 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -136.67 151.67 49.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.534 -0.729 . . . . 0.0 110.014 -179.577 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 17.0 t-20 -88.63 141.28 30.07 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -44.6 -12.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.199 1.266 . . . . 0.0 112.027 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -100.01 6.42 45.07 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.266 -0.896 . . . . 0.0 109.587 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.2 71.93 Favored Glycine 0 N--CA 1.491 2.313 0 O-C-N 121.369 -0.832 . . . . 0.0 111.475 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -91.36 114.75 62.75 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.69 -1.477 . . . . 0.0 108.599 179.063 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.28 133.64 24.87 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.716 1.611 . . . . 0.0 113.18 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.9 mt -128.36 158.62 37.74 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.144 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 29.7 p -86.11 -132.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.382 -1.449 . . . . 0.0 109.107 178.582 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.514 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 2.3 p-10 -82.53 -85.09 0.11 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 112.21 -178.722 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.12 65.52 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.617 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 35.3 m -57.53 -53.01 63.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.041 -1.662 . . . . 0.0 109.895 -178.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -43.45 66.87 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.143 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.42 -40.04 92.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.867 -1.373 . . . . 0.0 111.04 -179.157 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.64 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 t80 -78.22 -45.34 23.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.064 -1.022 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.41 -52.66 62.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.046 -1.034 . . . . 0.0 110.448 -177.535 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -61.44 -41.88 97.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.87 -1.144 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.81 -29.74 67.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.136 -0.978 . . . . 0.0 110.313 -177.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.64 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 57.1 m80 -92.03 -33.12 14.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.745 -1.222 . . . . 0.0 110.978 -178.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.34 14.27 63.97 Favored Glycine 0 N--CA 1.495 2.568 0 O-C-N 120.576 -1.327 . . . . 0.0 111.733 178.038 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.66 169.63 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.838 -1.389 . . . . 0.0 109.075 179.532 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -48.68 147.25 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.74 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.617 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -117.74 125.61 27.93 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.684 -0.635 . . . . 0.0 109.36 -179.761 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.44 110.27 3.07 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.138 1.226 . . . . 0.0 110.114 178.152 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.08 -11.7 6.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -59.76 -25.89 65.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.784 -179.692 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.21 -30.39 62.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.07 -1.019 . . . . 0.0 110.667 -178.515 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -57.27 155.8 8.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 109.888 -179.07 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.23 158.6 43.89 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.419 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.69 -2.96 58.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 108.666 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.2 129.3 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.723 -0.611 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.7 139.83 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.723 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -83.85 132.2 34.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.079 -1.013 . . . . 0.0 109.071 179.565 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -84.4 135.49 34.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.468 -0.77 . . . . 0.0 109.635 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 59' ' ' ARG . 6.2 mmt-85 -99.49 166.38 11.19 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.169 -0.957 . . . . 0.0 108.667 179.502 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 C--N 1.3 -1.55 0 O-C-N 121.493 -0.754 . . . . 0.0 109.788 -179.347 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.265 0.555 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.2 m -146.19 149.99 35.0 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.347 -0.846 . . . . 0.0 109.935 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.06 111.26 11.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.094 -1.004 . . . . 0.0 109.257 179.492 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 p -68.63 -9.39 49.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.714 . . . . 0.0 109.986 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.575 ' ND2' HD22 ' A' ' 32' ' ' LEU . 73.7 m-20 -95.93 -41.57 8.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 0.0 110.702 -179.049 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 17' ' ' THR . 16.0 p -127.33 4.49 6.31 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.968 -1.083 . . . . 0.0 111.23 -177.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 57.4 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.159 -0.963 . . . . 0.0 112.149 178.18 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' SG ' ' A' ' 15' ' ' CYS . 4.8 t -66.14 135.88 55.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.477 -1.39 . . . . 0.0 109.666 -179.386 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.575 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -103.46 -10.06 18.86 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.345 -0.847 . . . . 0.0 109.904 -179.758 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.8 m -100.99 121.2 41.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.221 -0.924 . . . . 0.0 108.771 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 t -163.54 145.03 7.38 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.086 -1.009 . . . . 0.0 109.843 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.98 -21.94 10.47 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.285 1.99 . . . . 0.0 112.426 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD23 HH21 ' A' ' 24' ' ' ARG . 17.7 tp -153.52 121.27 5.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.019 -1.051 . . . . 0.0 110.149 -178.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -82.63 128.16 34.07 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.719 -179.481 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.512 HH21 HD23 ' A' ' 22' ' ' LEU . 26.5 mmt180 -106.25 177.28 4.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.375 -0.828 . . . . 0.0 108.855 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -136.09 148.09 48.12 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.319 -0.863 . . . . 0.0 110.111 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' GLU . 15.8 t-20 -89.07 142.63 30.3 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.422 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -4.77 0.15 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 CA-C-N 119.976 1.027 . . . . 0.0 110.916 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -98.3 2.25 47.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.368 -0.832 . . . . 0.0 109.203 179.493 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.24 9.73 75.87 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 121.297 -0.877 . . . . 0.0 111.366 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -89.14 151.09 46.3 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 120.732 -1.451 . . . . 0.0 108.949 179.093 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -83.14 133.54 6.55 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.12 1.88 . . . . 0.0 112.944 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD22 ' ND2' ' A' ' 14' ' ' ASN . 88.0 mt -128.55 160.03 33.63 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.713 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.48 -168.32 2.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.646 -1.284 . . . . 0.0 107.678 177.532 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.663 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -72.18 -38.97 68.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.641 -1.287 . . . . 0.0 111.232 -179.63 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.663 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -69.9 -52.38 25.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.556 -1.34 . . . . 0.0 111.866 -179.077 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' HB3' HD22 ' A' ' 14' ' ' ASN . 78.9 m -61.51 -53.24 58.96 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.581 -1.324 . . . . 0.0 110.684 -178.55 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.98 -47.43 80.09 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 34' ' ' ASN . 86.7 mt -69.57 -40.72 76.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.157 -1.202 . . . . 0.0 110.884 -179.797 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 56.0 t80 -78.77 -46.7 18.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.207 -0.933 . . . . 0.0 111.878 -178.633 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.73 -50.06 73.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.037 -1.04 . . . . 0.0 110.574 -177.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -60.01 -44.4 94.61 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.923 -1.111 . . . . 0.0 110.468 -179.392 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.08 -32.68 70.87 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.211 -0.931 . . . . 0.0 111.354 -177.863 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.2 m80 -91.27 -32.32 15.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.63 -1.293 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.67 14.32 67.18 Favored Glycine 0 N--CA 1.493 2.493 0 O-C-N 120.564 -1.335 . . . . 0.0 111.308 178.251 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 m -139.7 171.78 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.004 -1.291 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -47.03 148.71 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 109.648 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.497 HH11 HD23 ' A' ' 49' ' ' LEU . 39.6 ttt-85 -111.26 130.09 23.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.755 -0.59 . . . . 0.0 109.635 -179.173 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -70.18 93.01 0.55 Allowed 'Trans proline' 0 C--N 1.315 -1.196 0 C-N-CA 120.961 1.107 . . . . 0.0 110.338 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.497 HD23 HH11 ' A' ' 47' ' ' ARG . 24.0 mt -59.39 -11.98 5.23 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.136 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 t -60.11 -20.2 57.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.607 -0.683 . . . . 0.0 109.484 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -79.83 -17.19 53.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.133 -0.979 . . . . 0.0 109.327 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -53.9 144.56 18.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 0.0 109.078 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.88 155.33 41.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.864 . . . . 0.0 109.242 178.91 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.88 -10.42 57.15 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.3 129.06 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.494 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -119.07 130.81 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.524 -0.735 . . . . 0.0 109.917 -179.326 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -71.52 123.58 22.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.168 -0.957 . . . . 0.0 108.554 179.667 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -90.57 138.25 31.71 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.839 179.816 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 59' ' ' ARG . 35.8 mtt-85 -100.76 170.69 8.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 109.317 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.329 -0.857 . . . . 0.0 110.927 -178.156 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.876 0.846 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 m -147.15 133.67 19.77 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.554 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.13 108.94 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.617 -1.302 . . . . 0.0 109.472 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.2 p -68.14 -8.8 41.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.478 -0.764 . . . . 0.0 109.39 179.472 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.549 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.1 m120 -96.16 -40.29 9.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.286 -0.884 . . . . 0.0 110.852 -179.07 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.627 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.5 p -133.49 11.68 4.11 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.704 -1.247 . . . . 0.0 111.354 -178.483 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 54.22 1.84 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.887 -1.133 . . . . 0.0 112.89 177.8 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.627 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.6 t -62.46 131.37 48.94 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.073 -1.642 . . . . 0.0 109.61 -178.814 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -102.18 -11.25 18.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.453 -0.779 . . . . 0.0 109.829 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -104.75 123.3 47.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.402 -0.811 . . . . 0.0 109.25 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.38 149.71 8.82 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.071 -1.018 . . . . 0.0 109.722 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.37 -21.79 10.05 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.28 1.987 . . . . 0.0 112.397 179.2 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 HH21 ' A' ' 24' ' ' ARG . 52.8 tp -152.28 120.26 6.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -178.34 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.47 128.53 33.98 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.516 HH21 HD23 ' A' ' 22' ' ' LEU . 26.6 mmt180 -103.98 170.89 7.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.51 -0.744 . . . . 0.0 109.156 -178.857 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -129.95 146.99 51.66 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.322 -0.862 . . . . 0.0 109.226 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.59 HD22 ' H ' ' A' ' 28' ' ' GLU . 2.2 t30 -85.72 139.94 35.5 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 0.0 109.087 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.71 -15.81 0.1 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.576 1.517 . . . . 0.0 112.209 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' H ' HD22 ' A' ' 26' ' ' ASN . 47.2 mt-10 -100.28 9.99 41.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 -179.46 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 12.89 74.33 Favored Glycine 0 N--CA 1.493 2.475 0 O-C-N 121.263 -0.898 . . . . 0.0 111.596 178.895 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -92.65 140.3 23.82 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 120.544 -1.562 . . . . 0.0 108.652 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.19 140.48 30.95 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.157 1.905 . . . . 0.0 113.904 -179.362 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.1 mt -135.21 159.96 39.89 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 31.2 p -87.61 -135.45 0.09 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.254 -1.529 . . . . 0.0 109.109 178.462 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.65 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.4 p-10 -83.73 -76.93 0.27 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.312 -0.867 . . . . 0.0 111.821 -179.249 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.65 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.72 -30.42 71.4 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.215 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.2 m -58.71 -57.95 10.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 119.868 -1.77 . . . . 0.0 110.492 -178.43 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.7 -41.43 97.47 Favored Glycine 0 N--CA 1.492 2.398 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.189 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.7 mt -69.5 -41.12 76.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.992 -1.299 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CZ ' ' CD2' ' A' ' 43' ' ' HIS . 30.0 t80 -80.1 -45.11 18.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 110.9 -179.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.59 -53.51 56.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.385 -0.822 . . . . 0.0 110.152 -177.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.02 -46.6 88.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.063 -1.023 . . . . 0.0 110.811 -179.563 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.95 -33.25 71.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.102 -0.999 . . . . 0.0 111.076 -178.305 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 67.2 m80 -89.76 -29.94 18.35 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.809 -1.182 . . . . 0.0 110.861 -178.21 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.28 13.61 73.64 Favored Glycine 0 N--CA 1.491 2.366 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.566 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.54 143.5 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.992 -1.299 . . . . 0.0 109.573 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 27.3 m -53.55 117.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.837 . . . . 0.0 109.897 -179.241 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -70.07 137.13 87.07 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.507 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -55.92 106.17 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 N-CA-C 109.028 -1.182 . . . . 0.0 109.028 178.214 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 14' ' ' ASN . 47.1 mt -58.53 -9.8 1.85 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.517 -0.74 . . . . 0.0 109.594 -178.584 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.7 m -61.94 -14.15 31.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.231 -0.918 . . . . 0.0 110.007 179.827 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.71 -9.12 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 109.27 -179.506 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -51.26 137.55 22.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.051 -1.031 . . . . 0.0 110.154 -178.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.23 149.96 35.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.22 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -87.62 -8.59 56.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.491 -0.756 . . . . 0.0 109.643 -179.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.46 129.19 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.466 -0.771 . . . . 0.0 109.198 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.5 mt -117.93 137.17 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.51 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -71.27 121.45 18.46 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.799 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -84.34 130.31 34.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.247 -0.908 . . . . 0.0 109.482 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.414 HH11 ' HG3' ' A' ' 59' ' ' ARG . 27.1 mmm-85 -96.57 167.29 11.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.947 -1.096 . . . . 0.0 109.07 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 p30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.921 -178.522 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 m . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.436 0.636 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.2 m -140.22 137.65 34.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.453 -0.779 . . . . 0.0 109.528 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -67.4 110.76 3.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 109.569 179.73 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.9 p -69.04 -9.52 52.94 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.745 -0.597 . . . . 0.0 109.701 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.648 ' ND2' HD22 ' A' ' 32' ' ' LEU . 66.5 m-20 -94.86 -42.42 8.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.226 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.2 p -130.36 4.73 4.75 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.964 -1.085 . . . . 0.0 111.236 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 57.93 3.98 0.26 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.986 . . . . 0.0 112.399 177.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.641 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -64.67 132.42 49.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.165 -1.585 . . . . 0.0 110.111 -178.669 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -99.51 -9.9 22.76 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.42 -0.8 . . . . 0.0 109.449 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.6 m -100.88 118.51 37.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.202 -0.936 . . . . 0.0 108.978 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -163.11 141.33 6.32 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 110.07 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.99 -20.64 19.19 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.054 1.836 . . . . 0.0 112.554 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' NH2' ' A' ' 24' ' ' ARG . 53.1 tp -154.92 122.42 5.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.841 -1.162 . . . . 0.0 109.978 -178.855 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.12 128.67 33.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.549 -0.719 . . . . 0.0 109.126 -179.465 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.603 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.6 mmt180 -109.12 176.8 4.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.611 -0.681 . . . . 0.0 109.75 -178.549 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.59 152.35 49.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.075 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.9 t-20 -89.72 142.33 29.14 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.588 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -45.24 -10.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.33 1.353 . . . . 0.0 111.547 178.091 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.9 mt-10 -98.43 6.03 47.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.307 -0.871 . . . . 0.0 109.786 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.15 80.85 Favored Glycine 0 N--CA 1.492 2.388 0 O-C-N 121.267 -0.896 . . . . 0.0 111.174 179.652 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -87.13 145.23 37.64 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 120.673 -1.486 . . . . 0.0 108.386 178.902 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.08 132.51 9.46 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.093 1.862 . . . . 0.0 112.683 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 ' ND2' ' A' ' 14' ' ' ASN . 83.3 mt -128.14 160.68 31.27 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.101 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.6 p -82.97 -143.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.34 -1.475 . . . . 0.0 108.531 178.577 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.4 p-10 -80.75 -69.87 0.57 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.059 -1.025 . . . . 0.0 111.742 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.71 -36.1 81.86 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.797 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.5 m -57.65 -56.29 23.78 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 119.93 -1.731 . . . . 0.0 110.341 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 -44.25 97.11 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.74 -40.22 84.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -1.176 . . . . 0.0 109.861 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 91.0 t80 -74.57 -52.19 12.5 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.849 -0.532 . . . . 0.0 111.562 -178.868 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.43 -50.27 74.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.959 -1.088 . . . . 0.0 109.927 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.93 -47.88 83.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.006 -1.059 . . . . 0.0 110.811 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.1 -33.59 73.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 111.324 -177.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 65.3 m80 -88.95 -32.06 17.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.626 -1.296 . . . . 0.0 111.021 -178.511 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.72 10.55 8.48 Favored Glycine 0 N--CA 1.495 2.573 0 O-C-N 120.695 -1.253 . . . . 0.0 111.406 178.486 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.02 140.67 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.904 -1.351 . . . . 0.0 109.963 179.528 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -59.81 138.91 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.615 -0.678 . . . . 0.0 109.689 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.507 ' HG2' HH11 ' A' ' 47' ' ' ARG . 1.1 ttt-85 -153.5 137.01 10.26 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 108.503 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 16.1 Cg_exo -30.64 111.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 122.757 2.304 . . . . 0.0 113.667 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.89 -8.95 3.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.5 p -59.38 -11.06 3.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.402 -0.812 . . . . 0.0 109.563 -179.448 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.2 mt -70.57 -30.08 66.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 0.0 108.584 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 8.9 tmtm? -58.48 158.47 7.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 109.62 179.814 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.503 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -142.29 147.48 36.47 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.089 -1.007 . . . . 0.0 110.04 178.872 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -89.58 -4.16 57.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.539 -0.726 . . . . 0.0 109.605 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.02 121.65 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -114.88 130.02 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -81.73 137.78 35.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.225 -0.922 . . . . 0.0 108.634 179.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.85 128.79 34.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.779 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -101.45 170.87 7.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.29 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.961 0.886 . . . . 0.0 111.283 -177.163 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.403 0.621 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -141.68 147.14 37.02 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.333 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.0 t -72.84 110.0 6.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.024 -1.048 . . . . 0.0 108.398 179.442 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.406 ' C ' HD22 ' A' ' 14' ' ' ASN . 31.0 p -67.9 -9.33 44.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 110.098 -179.49 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.542 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.2 m120 -98.15 -40.13 8.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.824 . . . . 0.0 110.996 -179.434 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.604 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.1 p -129.1 4.81 5.3 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.787 -1.196 . . . . 0.0 111.522 -177.727 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 57.78 4.27 0.26 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.209 -0.932 . . . . 0.0 112.579 177.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.604 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -65.82 128.14 34.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.285 -1.51 . . . . 0.0 109.638 -178.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -98.27 -15.35 19.84 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.51 -0.744 . . . . 0.0 109.369 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -100.52 122.48 43.29 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.225 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -164.8 149.47 8.15 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.167 -0.958 . . . . 0.0 109.372 -179.553 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.47 -21.25 10.34 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.993 1.795 . . . . 0.0 112.828 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' NH2' ' A' ' 24' ' ' ARG . 20.4 tp -155.96 125.69 6.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.98 -1.075 . . . . 0.0 110.063 -179.261 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -84.79 129.62 34.79 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.647 0.737 . . . . 0.0 109.679 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.8 mmt180 -109.58 176.92 4.9 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.898 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -140.78 148.2 40.27 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.888 -179.764 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.558 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.1 t30 -87.12 142.67 33.9 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.405 -0.809 . . . . 0.0 108.938 179.852 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.27 -8.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.472 1.448 . . . . 0.0 112.265 178.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.4 mt-10 -92.66 4.99 52.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.221 -0.924 . . . . 0.0 108.82 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.2 85.82 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.05 146.35 38.28 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.331 -1.1 . . . . 0.0 108.708 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.34 138.85 14.28 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.511 1.474 . . . . 0.0 114.084 -178.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -131.74 160.05 36.65 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.9 p -83.92 -143.68 0.08 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.24 -1.537 . . . . 0.0 108.981 178.343 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.538 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 35.4 p-10 -80.2 -69.16 0.61 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 0.0 110.983 -179.518 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.35 -39.58 91.11 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.514 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.8 m -56.0 -54.38 45.54 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 119.923 -1.736 . . . . 0.0 110.053 -178.383 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.31 -43.66 98.76 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.523 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.0 -39.39 83.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.023 -1.281 . . . . 0.0 109.984 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 47.4 t80 -78.94 -49.87 12.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.352 -0.843 . . . . 0.0 111.366 -178.624 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.81 -49.98 75.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.219 -0.926 . . . . 0.0 110.451 -177.773 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -59.82 -49.58 77.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.088 -1.007 . . . . 0.0 110.295 -179.296 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.97 -34.1 72.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.106 -0.996 . . . . 0.0 111.435 -178.762 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.6 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -87.84 -37.05 16.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.439 -1.413 . . . . 0.0 110.037 -178.357 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.86 10.18 12.81 Favored Glycine 0 N--CA 1.488 2.152 0 C-N-CA 120.052 -1.07 . . . . 0.0 111.098 178.294 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.29 141.9 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.93 -1.335 . . . . 0.0 110.084 179.449 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.69 144.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.517 0.675 . . . . 0.0 110.139 -179.56 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.8 tpp180 -154.7 133.25 6.99 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -179.824 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 33.2 Cg_exo -33.88 105.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.334 2.023 . . . . 0.0 112.444 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.25 -11.59 10.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.5 p -59.33 -10.01 2.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.471 -0.768 . . . . 0.0 110.059 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.8 -39.62 73.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.092 -1.005 . . . . 0.0 108.691 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -54.16 170.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.214 -0.928 . . . . 0.0 109.338 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -147.49 157.3 43.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.132 -0.98 . . . . 0.0 110.22 179.04 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -87.11 -0.84 57.3 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.715 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.34 129.95 68.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.311 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -124.41 134.88 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 109.537 -179.022 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -83.76 139.52 32.67 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.082 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -83.51 130.84 35.02 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.932 -1.105 . . . . 0.0 109.577 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.41 ' HG3' ' NH1' ' A' ' 59' ' ' ARG . 19.0 mmm-85 -98.07 166.56 11.37 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.813 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.183 -0.948 . . . . 0.0 111.593 -178.134 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.729 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 0 C3'-C2'-C1' 106.828 2.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.991 1 O4'-C1'-N19 111.11 4.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 0 C3'-C2'-C1' 106.886 2.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.581 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.319 1 O4'-C1'-N19 111.748 4.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.031 1 O4'-C1'-N19 111.29 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.52 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 C3'-C2'-C1' 107.139 3.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 111.078 4.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.679 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.349 1 O4'-C1'-N19 111.357 4.447 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 1 O4'-C1'-N19 111.309 4.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.115 1 O4'-C1'-N19 111.427 4.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.05 4.062 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.447 ' OP2' ' CD2' ' A' ' 39' ' ' PHE . . . . . . . . 0 C5'--C4' 1.528 2.155 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.581 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.176 1 O4'-C1'-N19 111.218 4.273 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.752 1 O4'-C1'-N19 111.654 4.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.782 3.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.35 1 O4'-C1'-N19 111.72 4.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.674 3.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.668 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.689 3.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' SD ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -74.24 -11.84 60.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.087 -1.008 . . . . 0.0 109.694 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 5' ' ' GLU . 25.6 t-20 -60.56 -50.13 74.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.964 -1.085 . . . . 0.0 109.637 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.12 -6.41 0.1 OUTLIER Glycine 0 N--CA 1.493 2.461 0 O-C-N 121.167 -0.958 . . . . 0.0 111.209 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 3' ' ' ASN . 9.3 tt0 -70.01 -148.02 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.597 -1.531 . . . . 0.0 109.729 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -66.03 136.92 56.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.455 -0.778 . . . . 0.0 110.4 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -142.47 -26.32 0.63 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.36 -0.837 . . . . 0.0 109.814 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.06 102.23 0.83 Allowed Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -77.44 102.17 1.57 Allowed 'Trans proline' 0 N--CA 1.49 1.315 0 CA-C-N 119.543 1.671 . . . . 0.0 111.508 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -78.67 144.65 35.15 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m -127.92 131.32 49.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.25 -0.906 . . . . 0.0 110.263 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 12.0 t -80.26 113.47 18.46 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -66.59 -11.55 53.84 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.333 -0.855 . . . . 0.0 111.021 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.447 ' ND2' HD22 ' A' ' 32' ' ' LEU . 45.0 m-20 -96.83 -39.58 9.35 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.971 -1.081 . . . . 0.0 110.111 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.661 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.6 p -132.23 0.02 3.72 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.877 -1.14 . . . . 0.0 111.565 -177.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 60.02 6.15 0.89 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.94 -1.1 . . . . 0.0 112.212 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.661 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.5 t -66.11 133.36 50.57 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.22 -1.55 . . . . 0.0 109.69 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -102.6 -4.91 24.5 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.7 m -103.01 113.62 27.25 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.646 ' CB ' HD22 ' A' ' 34' ' ' ASN . 1.8 t -163.73 146.42 7.78 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.824 . . . . 0.0 109.412 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -79.31 -18.84 10.79 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.413 2.076 . . . . 0.0 111.843 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD23 ' NH2' ' A' ' 24' ' ' ARG . 35.5 tp -152.94 125.14 8.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -83.67 127.69 33.96 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.276 0.56 . . . . 0.0 109.87 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.53 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.9 mmt180 -109.27 171.62 7.33 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.562 -0.712 . . . . 0.0 109.56 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.98 153.99 47.03 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.326 -0.859 . . . . 0.0 109.276 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.3 t-20 -93.61 139.29 22.77 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.293 -0.88 . . . . 0.0 109.105 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -44.22 -7.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.683 1.588 . . . . 0.0 112.212 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 40.2 mt-10 -97.89 3.35 49.75 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.376 -0.827 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.18 14.59 68.71 Favored Glycine 0 N--CA 1.495 2.574 0 O-C-N 121.46 -0.775 . . . . 0.0 111.866 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -93.79 137.01 23.32 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.733 -1.451 . . . . 0.0 108.923 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.2 135.53 20.84 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.808 1.672 . . . . 0.0 112.389 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD22 ' ND2' ' A' ' 14' ' ' ASN . 91.5 mt -130.91 160.7 33.71 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.4 p -86.9 -138.87 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.511 -1.368 . . . . 0.0 109.247 178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.646 HD22 ' CB ' ' A' ' 20' ' ' THR . 2.0 p30 -82.81 -71.66 0.48 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.744 -1.223 . . . . 0.0 111.645 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.485 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.81 -33.73 76.32 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.6 m -57.03 -55.92 28.4 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.105 -1.622 . . . . 0.0 110.293 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.44 95.06 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.34 -43.98 80.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -1.17 . . . . 0.0 111.308 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 48.3 t80 -78.93 -49.56 12.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 112.073 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.3 -49.4 77.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 110.98 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -59.93 -41.95 92.88 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.932 -1.105 . . . . 0.0 110.594 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.8 mt -70.35 -30.06 66.9 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 55.9 m80 -92.46 -29.86 16.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.816 -1.177 . . . . 0.0 110.703 -178.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.24 12.46 38.23 Favored Glycine 0 N--CA 1.492 2.395 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.96 142.09 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 120.947 -1.325 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 m -62.63 145.19 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.545 -0.722 . . . . 0.0 110.186 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.598 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -145.5 137.18 12.95 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 50' ' ' SER . 56.0 Cg_exo -34.52 113.49 0.08 OUTLIER 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.289 1.993 . . . . 0.0 113.664 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LYS . 95.1 mt -63.92 -3.27 2.37 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 48' ' ' PRO . 8.2 p -52.56 -12.31 0.27 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 49' ' ' LEU . 88.4 mt -77.74 3.18 14.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' LEU . 26.1 tptp -58.0 128.17 35.75 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.682 0.753 . . . . 0.0 109.629 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.61 142.92 30.5 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.804 0.812 . . . . 0.0 109.711 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 94.0 m-20 -92.65 -3.71 54.5 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.61 125.15 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.371 -0.83 . . . . 0.0 109.275 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -72.62 127.68 33.28 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.942 . . . . 0.0 109.164 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -88.13 134.17 33.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.199 -0.938 . . . . 0.0 109.85 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -98.93 172.1 7.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.361 -0.837 . . . . 0.0 110.281 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -65.81 -179.21 0.67 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.513 -0.742 . . . . 0.0 110.21 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -139.96 177.06 8.24 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 121.699 0.761 . . . . 0.0 110.192 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.2 p-10 -81.24 175.09 10.91 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.668 -0.645 . . . . 0.0 109.305 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 t -53.53 -46.33 70.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.835 . . . . 0.0 110.098 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.38 126.04 6.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.088 -1.008 . . . . 0.0 110.501 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -111.8 112.33 23.93 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.339 -0.85 . . . . 0.0 109.784 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.197 -0.94 . . . . 0.0 109.748 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.414 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 C3'-C2'-C1' 106.933 3.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.5 3.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.064 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.489 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O4'-C1'-N19 110.831 3.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.203 1 O4'-C1'-N19 111.421 4.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 O4'-C1'-N19 110.777 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.226 0 O4'-C1'-N19 110.687 3.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.294 0 C3'-C2'-C1' 106.916 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 O4'-C1'-N19 110.642 3.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.506 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.491 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.72 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.982 3.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.935 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.815 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.45 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.071 1 O4'-C1'-N19 111.335 4.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 1 O4'-C1'-N19 111.224 4.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -60.05 -39.49 86.15 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -78.61 104.24 9.09 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.355 -0.841 . . . . 0.0 109.072 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.03 30.77 2.78 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 108.219 -1.953 . . . . 0.0 108.219 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -83.54 25.04 0.79 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.584 -0.95 . . . . 0.0 109.495 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -58.94 -49.96 75.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 108.537 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -137.39 -51.77 0.65 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.3 -172.42 27.52 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -39.94 160.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.77 2.313 . . . . 0.0 112.421 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m -60.11 120.63 10.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.212 -0.93 . . . . 0.0 109.341 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.0 m -140.28 150.65 44.31 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.418 -0.801 . . . . 0.0 109.524 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -73.4 108.16 6.11 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.11 -0.994 . . . . 0.0 109.07 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.4 p -66.49 -9.98 39.94 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.521 -0.737 . . . . 0.0 109.176 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.503 ' ND2' HD22 ' A' ' 32' ' ' LEU . 24.3 m-20 -96.5 -40.02 9.27 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.28 -0.888 . . . . 0.0 110.81 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.616 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.1 p -133.7 5.74 3.69 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.859 -1.151 . . . . 0.0 111.217 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 55.7 3.89 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 112.24 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.616 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -62.48 131.39 49.01 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.096 -1.628 . . . . 0.0 109.272 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -98.66 -7.85 27.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.441 -0.787 . . . . 0.0 109.46 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -101.59 116.12 32.04 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.995 -1.066 . . . . 0.0 109.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -162.61 144.41 8.08 Favored Pre-proline 0 N--CA 1.493 1.722 0 O-C-N 120.973 -1.08 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.3 -18.67 10.91 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.177 1.918 . . . . 0.0 111.832 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD23 HH21 ' A' ' 24' ' ' ARG . 13.8 tp -154.31 121.77 5.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.167 -0.958 . . . . 0.0 110.302 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -81.04 126.5 31.5 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 28.4 mmt180 -109.33 175.22 5.53 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -141.26 157.73 44.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.274 -0.891 . . . . 0.0 109.591 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 29.8 t30 -91.21 142.7 27.43 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -45.99 -7.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.093 1.195 . . . . 0.0 111.821 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -100.33 2.82 42.87 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -0.957 . . . . 0.0 109.977 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.81 20.97 57.06 Favored Glycine 0 N--CA 1.494 2.508 0 O-C-N 121.152 -0.967 . . . . 0.0 111.42 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -96.5 112.24 59.45 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.773 -1.428 . . . . 0.0 108.837 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -49.55 133.65 32.09 Favored 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 121.961 1.774 . . . . 0.0 113.634 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.503 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.0 mt -130.66 159.99 35.58 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.5 p -86.16 -137.81 0.08 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.31 -1.494 . . . . 0.0 108.598 178.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 3.5 p30 -83.21 -70.66 0.54 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.623 -1.298 . . . . 0.0 111.77 -179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.482 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.86 -32.65 74.45 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -56.81 -52.53 64.7 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.106 -1.621 . . . . 0.0 110.207 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.98 -44.39 61.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.083 -1.056 . . . . 0.0 110.793 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.72 -41.26 88.21 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.388 . . . . 0.0 110.258 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.657 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -71.72 -51.8 21.0 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.966 -1.084 . . . . 0.0 110.7 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.53 -49.48 76.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.108 -0.995 . . . . 0.0 109.212 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -59.6 -47.81 84.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 109.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.47 -33.92 71.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.325 -0.859 . . . . 0.0 112.128 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.657 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 67.1 m80 -93.76 -31.37 14.43 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.63 -1.294 . . . . 0.0 110.824 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.11 48.29 74.98 Favored Glycine 0 N--CA 1.494 2.546 0 O-C-N 120.823 -1.173 . . . . 0.0 110.945 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' VAL . 15.5 m -140.97 157.31 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.018 -1.284 . . . . 0.0 110.203 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' VAL . 13.0 m -37.4 119.22 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-O 122.652 1.215 . . . . 0.0 110.841 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -41.52 102.52 0.27 Allowed Pre-proline 0 N--CA 1.492 1.638 0 CA-C-N 114.242 -1.345 . . . . 0.0 113.561 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -94.11 83.47 0.15 Allowed 'Trans proline' 0 N--CA 1.488 1.152 0 C-N-CA 122.927 2.418 . . . . 0.0 110.383 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.41 -23.17 67.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.339 -0.85 . . . . 0.0 110.685 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.8 p -53.28 -29.98 36.12 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.077 -1.014 . . . . 0.0 111.132 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.45 -21.36 53.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.663 -1.273 . . . . 0.0 109.715 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -59.31 156.89 11.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.982 -1.074 . . . . 0.0 109.617 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.0 149.71 40.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.264 -0.897 . . . . 0.0 108.974 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.5 -5.32 57.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.612 -0.68 . . . . 0.0 109.411 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.07 129.92 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.4 mt -122.7 135.31 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 CA-C-O 121.595 0.712 . . . . 0.0 109.792 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -81.53 132.44 35.31 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -83.26 130.23 35.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.254 -0.904 . . . . 0.0 109.034 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.444 ' HG3' HH11 ' A' ' 59' ' ' ARG . 22.2 mmm-85 -98.31 172.05 7.81 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.081 -1.012 . . . . 0.0 109.66 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -68.24 172.22 6.13 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.365 -0.834 . . . . 0.0 111.174 -177.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -145.08 168.5 20.16 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 121.219 0.533 . . . . 0.0 109.864 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -84.08 139.77 32.26 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.244 -0.91 . . . . 0.0 109.906 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.1 p -55.15 -32.33 62.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.221 -0.924 . . . . 0.0 110.305 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.72 126.99 28.27 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.289 -0.882 . . . . 0.0 109.2 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -61.81 -41.78 98.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.197 -0.94 . . . . 0.0 109.544 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.443 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.75 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.448 0 O4'-C1'-N19 110.391 3.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.186 4.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.434 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.14 0 O4'-C1'-N19 110.967 3.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.571 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.933 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.103 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 1 O4'-C1'-N19 111.109 4.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.103 0 O4'-C1'-N19 110.797 3.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.182 4.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.656 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.307 3.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 O4'-C1'-N19 110.971 3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.563 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.116 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.563 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.43 4.538 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.371 1 O4'-C1'-N19 111.567 4.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.167 1 O4'-C1'-N19 111.018 4.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.201 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.345 1 O4'-C1'-N19 111.178 4.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.049 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.521 4.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.818 3.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.202 3.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.7 ttm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.129 0.49 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 49.63 -140.68 0.74 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.045 -1.034 . . . . 0.0 109.133 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -93.2 166.75 12.17 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.811 -1.18 . . . . 0.0 110.424 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.539 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . 80.24 3.76 89.77 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 4' ' ' GLY . 56.9 mp0 0.89 -91.4 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 C-N-CA 123.095 0.558 . . . . 0.0 112.33 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.55 ' O ' ' C ' ' A' ' 7' ' ' ASN . 73.0 tp60 -147.65 147.77 30.35 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.717 -1.24 . . . . 0.0 108.864 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.556 ' ND2' ' N ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -0.76 -110.21 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.434 0 C-N-CA 123.102 0.561 . . . . 0.0 112.276 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.556 ' N ' ' ND2' ' A' ' 7' ' ' ASN . . . 135.28 -55.31 0.73 Allowed Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 24.2 Cg_exo -61.65 48.86 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.69 2.26 . . . . 0.0 112.824 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 8' ' ' GLY . 87.7 m -61.83 122.56 15.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.371 -0.831 . . . . 0.0 109.241 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -143.83 145.03 32.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.147 -0.971 . . . . 0.0 109.441 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.7 t -70.35 110.82 5.51 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.028 -1.045 . . . . 0.0 108.389 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.4 p -66.74 -10.08 43.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.562 -0.711 . . . . 0.0 109.463 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.456 ' ND2' HD22 ' A' ' 32' ' ' LEU . 30.5 m-20 -96.47 -41.83 8.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.543 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.534 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.4 p -129.17 3.57 5.22 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.809 -1.182 . . . . 0.0 111.714 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 61.02 3.52 0.68 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.125 -0.984 . . . . 0.0 112.61 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.534 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.1 t -64.92 132.8 50.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.359 -1.463 . . . . 0.0 109.756 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -98.66 -12.22 21.28 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.487 -0.758 . . . . 0.0 109.542 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.1 m -99.98 121.95 42.13 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -0.977 . . . . 0.0 110.305 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -163.97 144.75 6.82 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 109.942 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.67 -17.48 11.11 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.013 1.809 . . . . 0.0 111.327 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD23 ' NH2' ' A' ' 24' ' ' ARG . 37.0 tp -152.65 128.85 10.47 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 122.002 0.906 . . . . 0.0 109.801 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -88.22 125.36 34.6 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.488 0.661 . . . . 0.0 109.559 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.507 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.2 mmt180 -107.08 174.31 5.94 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HG3' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -140.95 150.95 43.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.124 -0.985 . . . . 0.0 108.995 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.9 t-20 -90.97 140.58 26.12 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.37 -0.831 . . . . 0.0 108.798 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -42.96 -9.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.779 1.653 . . . . 0.0 112.457 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.2 mt-10 -96.17 2.53 53.17 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.149 -0.97 . . . . 0.0 108.959 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 7.96 83.35 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -85.24 137.73 36.95 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 120.602 -1.528 . . . . 0.0 107.771 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.07 134.21 15.84 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.073 1.849 . . . . 0.0 112.835 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD22 ' ND2' ' A' ' 14' ' ' ASN . 71.8 mt -124.1 160.03 28.67 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.7 p -82.19 -144.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.341 -1.474 . . . . 0.0 108.226 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.744 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.1 p-10 -80.87 -65.71 0.98 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.125 -0.984 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.744 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.96 -39.22 93.64 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.6 m -58.23 -52.27 66.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.729 -1.857 . . . . 0.0 109.619 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.46 -45.0 95.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.571 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 56.7 mt -68.75 -40.66 79.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.102 -1.234 . . . . 0.0 111.338 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.63 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.0 t80 -77.82 -48.07 17.38 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.123 -0.985 . . . . 0.0 111.286 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.18 -48.93 79.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 110.531 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -60.08 -40.42 89.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.955 -1.091 . . . . 0.0 109.559 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.16 -35.17 73.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.947 . . . . 0.0 111.551 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.63 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 45.5 m80 -92.37 -33.18 14.67 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.562 -1.336 . . . . 0.0 111.212 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.89 10.88 56.93 Favored Glycine 0 N--CA 1.491 2.319 0 O-C-N 120.641 -1.287 . . . . 0.0 111.1 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.5 m -141.66 145.74 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 120.757 -1.437 . . . . 0.0 110.367 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.0 m -49.89 153.41 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.215 -0.928 . . . . 0.0 109.023 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -151.77 136.62 10.45 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.132 -0.98 . . . . 0.0 108.971 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -35.48 96.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.116 1.877 . . . . 0.0 113.358 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 51' ' ' LEU . 83.7 mt -59.15 -15.6 15.42 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.7 m -56.7 -5.82 0.26 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.6 -0.687 . . . . 0.0 109.68 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' A' ' 49' ' ' LEU . 89.5 mt -77.73 -19.54 55.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.138 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -53.08 150.55 5.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 109.617 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 t -149.63 158.27 44.02 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.578 -0.701 . . . . 0.0 109.424 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -88.08 -6.89 57.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.515 -0.741 . . . . 0.0 110.259 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -112.32 130.69 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.357 -0.839 . . . . 0.0 109.447 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.55 133.97 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.728 -0.608 . . . . 0.0 110.27 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -80.1 130.04 34.94 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -82.49 130.24 35.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.835 . . . . 0.0 109.901 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -96.37 158.43 15.44 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.866 0.841 . . . . 0.0 109.225 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -80.79 -159.54 0.25 Allowed 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.626 0.727 . . . . 0.0 110.191 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -125.79 153.19 44.4 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -82.32 -11.67 58.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.902 -1.124 . . . . 0.0 109.213 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.8 m -65.48 129.26 39.12 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.22 -0.925 . . . . 0.0 109.185 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.09 123.12 48.22 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -73.37 -10.03 59.31 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.179 -0.951 . . . . 0.0 108.854 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.542 -179.801 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.058 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.33 0 O4'-C1'-N19 110.791 3.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.378 3.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.449 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 111.089 4.112 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.65 1 O4'-C1'-N19 111.743 4.929 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.1 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.263 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.802 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.705 3.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 1 O4'-C1'-N19 111.247 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 1 O4'-C1'-N19 111.307 4.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.76 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.472 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.454 3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-N19 110.78 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.049 1 O4'-C1'-N19 111.323 4.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.467 1 O4'-C1'-N19 111.123 4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.543 3.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 C3'-C2'-C1' 107.119 3.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.262 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.438 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.623 3.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 1 O4'-C1'-N19 111.22 4.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptm . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.18 0.514 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 50.06 -141.24 0.73 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.263 -0.898 . . . . 0.0 109.549 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -80.02 167.49 20.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.989 -1.069 . . . . 0.0 109.478 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . 77.38 -127.34 8.3 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -46.29 89.97 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.385 -1.067 . . . . 0.0 110.499 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 4' ' ' GLY . 42.4 mt-30 -56.26 -40.84 74.85 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.521 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 11.4 p30 -161.91 -93.45 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.159 -0.963 . . . . 0.0 109.544 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.521 ' H ' ' CG ' ' A' ' 7' ' ' ASN . . . -80.09 170.86 54.08 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.26 -170.19 0.29 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 123.101 2.534 . . . . 0.0 112.094 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.6 m -61.01 119.96 9.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.657 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.0 m -143.86 134.43 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.377 -0.827 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.4 t -64.37 109.22 1.85 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.779 -1.201 . . . . 0.0 108.988 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -67.51 -9.99 47.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.704 -0.623 . . . . 0.0 110.174 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -98.79 -40.01 8.34 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.232 -0.917 . . . . 0.0 110.937 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.1 p -130.46 4.62 4.7 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.918 -1.114 . . . . 0.0 110.533 -178.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 56.13 5.27 0.16 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.338 -0.851 . . . . 0.0 113.039 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.484 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.7 t -62.31 129.76 42.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.017 -1.677 . . . . 0.0 109.265 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -98.38 -4.93 33.73 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.422 -0.799 . . . . 0.0 110.148 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -111.21 121.31 44.96 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.381 -0.825 . . . . 0.0 109.34 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.04 147.68 6.91 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 120.913 -1.117 . . . . 0.0 109.921 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.22 -18.3 12.73 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.03 1.82 . . . . 0.0 112.076 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.504 HD23 ' NH2' ' A' ' 24' ' ' ARG . 29.5 tp -154.07 128.05 8.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.248 -0.908 . . . . 0.0 110.182 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -88.04 127.77 35.4 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-O 121.388 0.614 . . . . 0.0 110.016 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.504 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.9 mmt180 -109.41 176.3 5.13 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 25' ' ' ARG . 10.6 ptt-85 -137.39 151.28 48.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLU . 7.8 t-20 -86.88 141.81 33.77 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.364 -0.835 . . . . 0.0 108.956 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.53 -11.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.314 1.343 . . . . 0.0 111.884 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.2 mt-10 -99.71 6.38 45.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.383 -0.823 . . . . 0.0 109.745 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.47 15.75 70.47 Favored Glycine 0 N--CA 1.492 2.379 0 O-C-N 121.309 -0.87 . . . . 0.0 111.245 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -91.9 114.63 62.63 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 120.654 -1.497 . . . . 0.0 109.297 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -48.31 132.55 24.09 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.852 1.701 . . . . 0.0 112.814 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD11 HD22 ' A' ' 26' ' ' ASN . 84.8 mt -127.38 159.84 33.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.3 p -84.19 -140.39 0.07 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.4 -1.437 . . . . 0.0 108.836 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -82.11 -70.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 112.046 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -33.73 75.97 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 113.613 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.17 -56.59 19.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.162 -1.587 . . . . 0.0 110.258 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.73 -41.98 99.76 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.478 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 90.1 mt -67.88 -40.16 83.57 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.098 -1.236 . . . . 0.0 110.988 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 43.1 t80 -80.73 -46.87 14.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 111.721 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.411 HD23 HD21 ' A' ' 26' ' ' ASN . 8.0 tp -60.91 -50.04 75.01 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.101 -1.0 . . . . 0.0 110.19 -177.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 41' ' ' LYS . 3.1 ttmp? -59.92 -49.08 79.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.014 -1.054 . . . . 0.0 110.271 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.96 -32.49 70.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.234 -0.916 . . . . 0.0 111.375 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 73.8 m80 -93.91 -38.2 11.32 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.644 -1.285 . . . . 0.0 111.415 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.73 60.53 Favored Glycine 0 N--CA 1.492 2.416 0 O-C-N 120.555 -1.34 . . . . 0.0 111.524 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.08 163.97 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.865 -1.373 . . . . 0.0 109.899 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.6 m -51.36 145.41 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.153 -0.967 . . . . 0.0 109.379 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 49' ' ' LEU . 5.4 ttm180 -130.37 112.31 16.74 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.739 -0.6 . . . . 0.0 109.769 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 50' ' ' SER . 71.2 Cg_exo -47.51 96.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 120.936 1.09 . . . . 0.0 110.011 177.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ARG . 90.0 mt -56.25 -10.48 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.224 -0.923 . . . . 0.0 108.763 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 48' ' ' PRO . 20.6 m -59.93 -10.82 4.47 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.71 -29.01 61.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -50.89 147.85 4.65 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.882 . . . . 0.0 110.185 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.39 158.35 44.1 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.426 -0.797 . . . . 0.0 109.679 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -85.76 -10.46 55.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.95 128.54 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.229 -0.92 . . . . 0.0 109.415 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.5 mt -120.68 134.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -70.79 120.67 16.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.089 -1.007 . . . . 0.0 108.947 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -83.44 134.9 34.85 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.458 -0.776 . . . . 0.0 109.598 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HG3' HH11 ' A' ' 59' ' ' ARG . 17.8 mmm-85 -102.37 167.54 9.9 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.36 -0.837 . . . . 0.0 109.002 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -76.8 -161.15 0.18 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.35 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -144.91 154.15 42.3 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.532 -0.73 . . . . 0.0 109.224 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.673 HD22 ' N ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -89.3 -10.9 45.09 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.116 -0.99 . . . . 0.0 109.31 179.509 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.673 ' N ' HD22 ' A' ' 62' ' ' ASN . 52.6 m -140.7 157.72 45.02 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.403 -0.81 . . . . 0.0 109.322 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.7 149.96 50.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.593 -0.692 . . . . 0.0 109.169 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -155.19 155.88 34.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.863 . . . . 0.0 108.974 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.004 -1.06 . . . . 0.0 109.501 -179.796 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.686 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 C3'-C2'-C1' 107.045 3.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.883 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 O4'-C1'-N19 110.773 3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 0 O4'-C1'-N19 110.233 3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.508 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.535 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.154 1 O4'-C1'-N19 111.25 4.312 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.059 1 O4'-C1'-N19 111.678 4.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.555 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.036 4.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.571 0 O4'-C1'-N19 110.986 3.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.691 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C1'-N19 110.546 3.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.286 0 O4'-C1'-N19 110.917 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.267 0 O4'-C1'-N19 110.703 3.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.962 0 O4'-C1'-N19 110.99 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.669 4.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.402 4.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.535 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.416 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.173 1 O4'-C1'-N19 111.53 4.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 1 O4'-C1'-N19 111.485 4.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.751 3.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.234 4.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -65.19 149.71 49.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.26 -0.9 . . . . 0.0 108.93 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -93.41 109.38 20.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.247 -0.908 . . . . 0.0 109.927 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.88 81.77 0.03 OUTLIER Glycine 0 N--CA 1.493 2.485 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.3 138.7 58.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.189 -1.183 . . . . 0.0 109.325 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -95.44 131.59 41.42 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.192 -0.942 . . . . 0.0 109.496 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -55.94 -48.01 76.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.381 -0.825 . . . . 0.0 109.638 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.72 -82.63 0.35 Allowed Glycine 0 N--CA 1.498 2.794 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -71.8 60.86 2.95 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.441 2.094 . . . . 0.0 112.651 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m -59.57 124.69 20.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.172 -0.955 . . . . 0.0 108.965 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -139.26 146.96 41.04 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.328 -0.857 . . . . 0.0 109.442 -179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.8 t -75.42 111.0 10.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.085 -1.009 . . . . 0.0 109.153 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.6 p -69.0 -10.62 58.43 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.717 -0.614 . . . . 0.0 110.579 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -97.36 -39.25 9.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.025 -1.047 . . . . 0.0 110.678 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.668 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.3 p -129.59 6.14 5.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.928 -1.107 . . . . 0.0 111.173 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 56.39 1.41 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.103 -0.998 . . . . 0.0 112.561 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.668 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -63.65 130.92 46.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.27 -1.519 . . . . 0.0 109.332 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -102.55 -6.32 22.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -102.91 117.93 35.71 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -165.81 148.75 6.67 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.056 -1.027 . . . . 0.0 109.948 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.1 -17.6 13.37 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.037 1.825 . . . . 0.0 112.226 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.525 HD23 ' NH2' ' A' ' 24' ' ' ARG . 22.1 tp -156.91 122.26 4.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.971 -1.081 . . . . 0.0 110.889 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -79.99 128.1 33.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.1 mmt180 -108.36 173.33 6.37 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -140.04 149.58 43.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.516 -0.74 . . . . 0.0 109.176 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.5 t30 -87.89 140.95 31.22 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -47.2 -6.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.177 1.251 . . . . 0.0 112.002 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 26' ' ' ASN . 66.8 mm-40 -101.64 -0.36 34.84 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.325 -0.859 . . . . 0.0 109.557 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.05 23.3 38.58 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 121.281 -0.887 . . . . 0.0 111.287 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -98.56 111.67 60.65 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 120.842 -1.387 . . . . 0.0 108.648 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.53 131.28 32.24 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 121.922 1.748 . . . . 0.0 113.244 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -129.78 159.47 36.43 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.14 -140.45 0.06 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.384 -1.448 . . . . 0.0 108.732 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 21.9 p-10 -81.84 -69.91 0.58 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 111.667 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -65.56 -33.31 75.61 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.7 m -55.62 -55.71 28.9 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 119.957 -1.714 . . . . 0.0 109.888 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.99 -41.39 97.33 Favored Glycine 0 N--CA 1.489 2.226 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.781 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.88 -40.01 79.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.874 -1.368 . . . . 0.0 111.007 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CZ ' ' CE1' ' A' ' 43' ' ' HIS . 19.7 t80 -80.74 -42.19 22.28 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.012 -1.055 . . . . 0.0 111.004 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.5 -53.31 56.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.193 -0.942 . . . . 0.0 110.406 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.07 -40.8 90.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.907 -1.121 . . . . 0.0 110.578 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.99 -30.63 68.0 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.077 -1.014 . . . . 0.0 111.092 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CZ ' ' A' ' 39' ' ' PHE . 69.1 m80 -98.38 -21.62 16.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.762 -1.211 . . . . 0.0 110.516 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.06 9.36 40.66 Favored Glycine 0 N--CA 1.491 2.36 0 O-C-N 120.523 -1.36 . . . . 0.0 110.844 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.68 145.2 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.042 -1.269 . . . . 0.0 109.136 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 46' ' ' VAL . 23.1 m -56.01 125.22 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' PRO . 19.4 ttp180 -93.85 131.15 32.62 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.415 -0.803 . . . . 0.0 109.208 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ARG . 84.5 Cg_exo -40.38 104.88 0.05 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.163 1.242 . . . . 0.0 110.614 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.91 -12.97 3.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.603 -0.686 . . . . 0.0 109.426 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -60.96 -19.6 61.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.423 -0.798 . . . . 0.0 110.15 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.2 mt -77.07 -24.6 51.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.102 -0.999 . . . . 0.0 109.419 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -57.35 157.2 6.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.219 -0.925 . . . . 0.0 108.786 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.07 159.45 43.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.964 -1.085 . . . . 0.0 109.525 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -86.49 -6.88 58.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 109.598 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.09 136.66 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.8 mt -127.94 140.01 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.312 -0.868 . . . . 0.0 109.878 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -81.84 130.03 34.94 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -85.13 134.93 34.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 108.96 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 59' ' ' ARG . 42.3 mtt-85 -98.05 164.02 12.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.117 -0.99 . . . . 0.0 109.318 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -78.69 -162.27 0.36 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.522 -0.736 . . . . 0.0 110.505 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -135.34 136.53 41.6 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -152.69 124.12 7.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.048 -1.033 . . . . 0.0 109.616 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.8 p -70.08 159.58 33.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.341 -0.849 . . . . 0.0 109.449 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.44 148.54 25.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.322 -0.861 . . . . 0.0 109.354 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -63.0 -39.95 96.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.047 -1.033 . . . . 0.0 109.714 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.282 179.652 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.857 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.502 0 C3'-C2'-C1' 106.934 3.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.045 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . 0.406 ' OP2' HD11 ' A' ' 22' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.216 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.475 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.658 3.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.475 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.791 1 O4'-C1'-N19 111.31 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C1'-N19 111.682 4.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.788 3.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.507 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 1 O4'-C1'-N19 111.1 4.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.882 1 O4'-C1'-N19 111.327 4.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 0 O4'-C1'-N19 110.773 3.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C1'-N19 110.878 3.847 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.729 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.886 3.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.013 1 O4'-C1'-N19 111.055 4.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.737 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.966 1 O4'-C1'-N19 111.326 4.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.466 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 1.974 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.404 ' C4 ' ' O6 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 2.036 1 O4'-C1'-N19 111.292 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.51 3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.934 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.037 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.071 0 O4'-C1'-N19 110.583 3.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -92.27 121.5 33.85 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.291 -0.881 . . . . 0.0 109.126 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.76 HD22 ' H ' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -68.18 -40.25 82.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 0.0 110.734 -179.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.505 ' N ' ' ND2' ' A' ' 3' ' ' ASN . . . 72.42 -5.23 16.23 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.76 ' H ' HD22 ' A' ' 3' ' ' ASN . 36.7 tp10 -120.01 134.41 55.26 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' NE2' ' OE1' ' A' ' 18' ' ' GLN . 98.0 mt-30 -65.84 78.13 0.08 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.853 -1.154 . . . . 0.0 109.144 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' GLU . 42.3 t30 -60.95 -58.25 9.24 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.6 159.14 24.72 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.04 25.76 0.34 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.461 2.107 . . . . 0.0 112.281 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.7 m -64.53 120.01 11.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 0.0 109.544 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.7 m -147.58 145.31 28.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.362 -0.836 . . . . 0.0 109.255 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.8 t -71.58 111.38 6.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.141 -0.974 . . . . 0.0 109.015 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 p -68.36 -9.12 45.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -96.92 -42.35 7.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.5 p -129.86 3.02 4.89 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.968 -1.083 . . . . 0.0 111.196 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 58.75 4.86 0.42 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.189 -0.944 . . . . 0.0 112.897 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -66.22 132.84 49.36 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.087 -1.633 . . . . 0.0 110.536 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.493 ' OE1' ' NE2' ' A' ' 6' ' ' GLN . 29.2 pt20 -101.67 -2.36 30.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.569 -0.707 . . . . 0.0 109.963 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -108.98 119.1 38.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.336 -0.853 . . . . 0.0 108.747 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -164.15 144.75 6.64 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.047 -1.033 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -76.34 -18.61 15.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.139 1.893 . . . . 0.0 111.96 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.566 HD23 HH21 ' A' ' 24' ' ' ARG . 28.0 tp -154.52 124.72 6.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.184 -0.947 . . . . 0.0 110.306 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -83.98 128.86 34.84 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.58 0.705 . . . . 0.0 110.159 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.566 HH21 HD23 ' A' ' 22' ' ' LEU . 29.3 mmt180 -111.97 178.71 4.22 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -139.26 154.55 47.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 109.497 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 15.6 t30 -93.4 141.46 23.97 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -44.12 -10.6 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.576 1.518 . . . . 0.0 112.385 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.1 mm-40 -92.79 5.75 50.06 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.011 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.7 5.58 88.03 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -86.33 146.49 42.39 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 120.948 -1.325 . . . . 0.0 108.894 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.03 138.44 18.31 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.299 1.999 . . . . 0.0 113.168 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.9 mt -129.25 159.98 34.39 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.594 ' SG ' ' ND2' ' A' ' 34' ' ' ASN . 30.1 p -85.0 -134.07 0.05 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.447 -1.408 . . . . 0.0 109.123 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.756 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -83.19 -83.11 0.14 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.136 -0.977 . . . . 0.0 112.131 -178.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.699 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -61.24 -27.96 68.82 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 m -56.37 -54.09 49.63 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 119.967 -1.708 . . . . 0.0 110.203 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.36 -44.65 64.17 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.461 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.58 -40.09 93.52 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.908 -1.348 . . . . 0.0 109.995 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 42.9 t80 -76.09 -46.4 29.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.596 -0.69 . . . . 0.0 111.68 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.08 -50.44 71.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.944 -1.097 . . . . 0.0 110.965 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -59.92 -42.15 93.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.94 -30.36 67.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.046 -1.034 . . . . 0.0 110.622 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -94.13 -36.94 11.84 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.717 -1.239 . . . . 0.0 111.143 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.08 10.19 55.85 Favored Glycine 0 N--CA 1.493 2.435 0 O-C-N 120.571 -1.331 . . . . 0.0 111.507 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.38 146.93 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.897 -1.354 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.0 m -54.16 144.3 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.305 -0.872 . . . . 0.0 109.386 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HE ' ' HD2' ' A' ' 48' ' ' PRO . 2.5 tpm_? -150.03 128.52 6.0 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.437 ' HD2' ' HE ' ' A' ' 47' ' ' ARG . 41.8 Cg_exo -34.27 108.65 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.124 1.883 . . . . 0.0 112.977 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.69 -8.39 2.02 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.7 p -58.61 -13.94 7.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.442 -0.787 . . . . 0.0 109.497 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.33 -30.61 66.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.071 -1.018 . . . . 0.0 108.335 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 10.1 tmtt? -55.87 155.75 5.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.462 -0.774 . . . . 0.0 109.711 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.06 148.13 36.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.451 -0.781 . . . . 0.0 109.519 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 75.8 m-20 -87.97 -4.61 58.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.495 -0.753 . . . . 0.0 109.216 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -110.27 125.92 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.98 134.1 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 CA-C-O 121.555 0.693 . . . . 0.0 110.15 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -81.51 131.93 35.3 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -80.51 131.77 35.59 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.16 -0.962 . . . . 0.0 108.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -100.37 167.39 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.378 -0.827 . . . . 0.0 108.966 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.9 p30 -78.87 -163.33 0.47 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.454 -0.779 . . . . 0.0 110.014 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.544 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.0 OUTLIER -130.04 130.8 45.39 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -89.0 130.03 35.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.116 -0.99 . . . . 0.0 109.785 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.1 t -99.97 121.54 41.51 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.3 112.53 7.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.348 -0.845 . . . . 0.0 109.168 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -72.63 -12.68 61.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 0.0 109.416 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.294 179.678 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.415 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 110.676 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.569 0 O4'-C1'-N19 110.449 3.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.478 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.206 1 O4'-C1'-N19 111.077 4.097 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.23 1 O4'-C1'-N19 111.347 4.433 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.485 ' N3 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.216 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.429 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 0 O4'-C1'-N19 110.958 3.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.241 4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.668 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.703 3.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.459 ' OP2' ' CD1' ' A' ' 39' ' ' PHE . . . . . . . . 0 C5'--C4' 1.529 2.197 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.344 0 O4'-C1'-N19 110.784 3.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C1'-N19 112.021 5.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.439 0 C3'-C2'-C1' 106.943 3.031 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.654 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.26 -28.84 69.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.489 -0.757 . . . . 0.0 109.835 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -58.16 129.32 41.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.079 -1.013 . . . . 0.0 109.9 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' H ' ' H ' ' A' ' 5' ' ' GLU . . . -179.93 6.45 0.02 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.889 -1.684 . . . . 0.0 108.889 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' H ' ' H ' ' A' ' 4' ' ' GLY . 3.1 pp20? -144.34 158.39 43.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.459 -1.024 . . . . 0.0 109.354 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -98.65 -99.77 0.22 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.497 -0.752 . . . . 0.0 109.882 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -89.3 -174.44 4.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.102 -0.999 . . . . 0.0 109.704 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.62 -76.04 0.06 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -79.01 12.24 2.33 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.756 2.304 . . . . 0.0 111.931 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.9 m -59.65 119.48 7.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.205 -0.934 . . . . 0.0 108.839 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.0 m -141.28 148.76 40.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.722 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.3 t -77.03 112.89 14.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 0.0 109.469 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -10.27 48.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.486 -0.759 . . . . 0.0 109.987 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.418 ' OD1' HD22 ' A' ' 32' ' ' LEU . 3.7 m120 -98.96 -40.15 8.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.346 -0.846 . . . . 0.0 110.511 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.636 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.9 p -132.38 10.53 4.46 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.952 -1.093 . . . . 0.0 111.591 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER 52.0 -0.99 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.684 -1.26 . . . . 0.0 112.617 177.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.636 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.3 t -60.06 134.96 57.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.156 -1.59 . . . . 0.0 109.788 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -102.89 -11.98 17.86 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.345 -0.847 . . . . 0.0 109.384 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -98.27 119.98 37.89 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.189 -0.945 . . . . 0.0 108.976 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.6 t -163.43 146.23 8.02 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.8 -20.76 13.16 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.188 1.925 . . . . 0.0 112.055 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD23 ' NH2' ' A' ' 24' ' ' ARG . 22.7 tp -155.41 120.55 4.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 110.13 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.33 129.23 34.53 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.555 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.3 mmt180 -109.93 -179.29 3.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.56 149.86 44.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.259 -0.901 . . . . 0.0 109.398 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.2 t30 -88.03 141.0 30.98 Favored Pre-proline 0 N--CA 1.489 1.521 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.25 -9.82 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.607 1.538 . . . . 0.0 112.777 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.7 mt-10 -98.05 7.05 46.9 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.056 -1.027 . . . . 0.0 109.726 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.22 10.78 77.2 Favored Glycine 0 N--CA 1.494 2.547 0 O-C-N 121.276 -0.89 . . . . 0.0 111.316 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -90.91 142.16 27.3 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 120.712 -1.463 . . . . 0.0 108.415 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.25 133.8 15.13 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.8 1.666 . . . . 0.0 112.783 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD22 ' OD1' ' A' ' 14' ' ' ASN . 83.0 mt -125.64 159.71 31.51 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.9 p -83.5 -143.76 0.07 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.424 -1.422 . . . . 0.0 107.664 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.506 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 29.8 p-10 -81.19 -68.08 0.72 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.865 -1.147 . . . . 0.0 111.921 -179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.506 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.12 -37.7 86.1 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.0 m -58.03 -56.73 18.28 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.125 -1.609 . . . . 0.0 110.651 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.92 99.13 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.67 -40.04 88.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.245 . . . . 0.0 110.146 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 57.9 t80 -80.32 -48.3 13.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.561 -0.712 . . . . 0.0 111.611 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.14 -50.0 75.43 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 109.841 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.05 -43.36 95.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.946 -1.096 . . . . 0.0 110.714 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.16 -31.0 68.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.039 -1.038 . . . . 0.0 111.738 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.644 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 55.2 m80 -96.84 -34.31 11.33 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.69 -1.256 . . . . 0.0 111.002 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.65 13.62 46.61 Favored Glycine 0 N--CA 1.49 2.266 0 O-C-N 120.587 -1.32 . . . . 0.0 111.203 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 m -138.35 140.79 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.931 -1.335 . . . . 0.0 110.205 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -59.36 140.08 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-O 121.375 0.607 . . . . 0.0 109.684 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.608 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -152.36 138.27 11.62 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.257 -0.902 . . . . 0.0 108.576 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -33.05 108.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.44 2.094 . . . . 0.0 113.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.77 -7.23 3.31 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.7 m -57.83 -9.99 1.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 0.0 109.016 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.75 -29.48 65.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.261 -0.9 . . . . 0.0 108.638 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -57.64 154.97 10.56 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.375 -0.828 . . . . 0.0 109.641 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.48 150.25 40.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.254 -0.904 . . . . 0.0 109.26 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -86.94 -7.17 58.43 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.308 -0.87 . . . . 0.0 109.809 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 p -108.38 129.69 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.12 133.56 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.452 -0.78 . . . . 0.0 110.059 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -84.04 131.28 34.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.463 -0.773 . . . . 0.0 109.036 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -82.06 129.89 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 59' ' ' ARG . 22.3 mtt-85 -98.08 169.94 9.26 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.327 -0.858 . . . . 0.0 109.003 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.47 179.34 3.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -0.933 . . . . 0.0 110.901 -178.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HG3' HH11 ' A' ' 61' ' ' ARG . 36.1 mtm-85 -147.48 170.52 17.23 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.469 0.652 . . . . 0.0 109.569 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -147.18 -35.4 0.24 Allowed 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.3 p -72.85 -27.01 61.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.882 . . . . 0.0 109.46 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.67 84.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.313 -0.867 . . . . 0.0 109.81 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -77.03 159.9 29.52 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.996 -1.065 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.22 -179.575 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.434 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O4'-C1'-N19 110.353 3.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 1 O4'-C1'-N19 111.115 4.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.308 4.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.438 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.827 ' N7 ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.98 5.225 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.582 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.821 5.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.687 4.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.166 1 O4'-C1'-N19 111.14 4.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.25 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.262 1 O4'-C1'-N19 111.055 4.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.517 0 O4'-C1'-N19 110.851 3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.399 4.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.434 4.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.814 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.321 3.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 1 O4'-C1'-N19 111.101 4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.469 1 O4'-C1'-N19 111.041 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.321 4.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.517 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.424 4.53 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.401 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.444 1.862 1 O4'-C1'-N19 112.153 5.441 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.471 " H2'" ' N7 ' ' C' ' 123' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.66 3.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . 0.471 ' N7 ' " H2'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.942 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.788 3.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 O4'-C1'-N19 110.805 3.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.034 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -79.96 -69.97 0.55 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.407 -0.808 . . . . 0.0 110.157 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.718 HD22 ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -171.16 136.81 1.09 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.088 -1.007 . . . . 0.0 110.053 -179.53 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.63 3.23 26.05 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -84.04 152.03 24.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.288 -1.125 . . . . 0.0 110.125 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.552 ' OE1' ' N ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -75.92 -152.09 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 178.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 7' ' ' ASN . 9.7 p-10 -61.9 -65.76 0.64 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.336 -1.477 . . . . 0.0 109.716 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.552 ' N ' ' OE1' ' A' ' 6' ' ' GLN . . . -149.65 169.22 29.86 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -34.11 153.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.23 2.62 . . . . 0.0 112.987 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.1 m -62.12 120.65 11.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.421 -0.799 . . . . 0.0 109.666 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m -143.99 146.97 33.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.316 -0.865 . . . . 0.0 109.731 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -71.42 109.69 5.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.049 -1.032 . . . . 0.0 109.749 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 p -68.66 -7.76 36.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.919 -0.488 . . . . 0.0 109.745 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.511 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.0 OUTLIER -98.07 -40.08 8.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.305 -0.872 . . . . 0.0 110.573 -179.206 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.606 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.8 p -132.1 6.09 4.21 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.967 -1.083 . . . . 0.0 110.53 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 57.11 4.96 0.21 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.259 -0.9 . . . . 0.0 112.567 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.606 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.8 t -64.22 132.4 50.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.137 -1.602 . . . . 0.0 109.601 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.03 -9.95 22.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.474 -0.766 . . . . 0.0 109.364 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.3 m -100.34 118.94 37.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.371 -0.831 . . . . 0.0 109.332 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -165.87 141.21 4.03 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.035 -1.041 . . . . 0.0 110.268 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.79 -17.99 10.66 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.352 2.035 . . . . 0.0 112.811 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 HH12 ' A' ' 24' ' ' ARG . 42.5 tp -150.69 126.17 10.15 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.823 -1.173 . . . . 0.0 109.96 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -88.72 123.68 33.39 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.6 0.714 . . . . 0.0 111.223 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.827 ' NH2' ' N7 ' ' B' ' 105' ' ' ' DG' . 1.7 mmt-85 -107.13 179.63 4.2 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -139.9 151.9 45.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.24 -0.912 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -88.59 139.57 29.73 Favored Pre-proline 0 N--CA 1.493 1.718 0 O-C-N 121.557 -0.714 . . . . 0.0 109.208 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.53 -13.29 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.938 1.758 . . . . 0.0 112.493 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -94.93 8.29 43.27 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 6.19 88.33 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -86.9 143.59 35.5 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.859 -1.377 . . . . 0.0 108.37 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.1 140.49 25.24 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.391 2.06 . . . . 0.0 113.056 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.2 mt -127.1 157.49 39.53 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.3 p -82.4 -156.45 0.17 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.765 HD22 ' H ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -80.04 -48.21 13.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.625 -1.297 . . . . 0.0 111.942 -179.331 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.722 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -68.97 -42.57 76.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.542 -1.349 . . . . 0.0 112.692 -178.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.5 m -57.81 -53.95 52.41 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.549 -1.344 . . . . 0.0 110.703 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.69 -41.22 99.56 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.642 HD21 ' NH2' ' A' ' 24' ' ' ARG . 84.6 mt -69.98 -45.64 66.9 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.148 -1.207 . . . . 0.0 112.819 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 28.3 t80 -79.0 -43.4 24.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.656 -1.277 . . . . 0.0 111.218 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.2 -51.19 70.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.094 -1.004 . . . . 0.0 110.813 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.82 -40.33 97.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.039 -1.038 . . . . 0.0 110.899 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.97 -35.79 74.71 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.195 -0.941 . . . . 0.0 111.028 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.4 m80 -93.65 -31.55 14.42 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.655 -1.278 . . . . 0.0 110.623 -178.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.69 16.82 61.76 Favored Glycine 0 N--CA 1.494 2.523 0 O-C-N 120.772 -1.205 . . . . 0.0 111.235 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.51 170.04 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.902 -1.352 . . . . 0.0 109.439 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 m -48.97 142.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 109.828 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -120.7 107.16 38.72 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -46.13 96.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 121.472 1.448 . . . . 0.0 110.936 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.49 -16.57 25.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.451 -0.78 . . . . 0.0 110.057 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.5 p -61.18 -11.93 10.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.962 -1.086 . . . . 0.0 109.346 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -79.91 -24.92 40.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.357 -0.839 . . . . 0.0 109.499 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -54.07 155.79 3.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.18 -0.95 . . . . 0.0 109.001 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.19 154.03 41.3 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.174 -0.954 . . . . 0.0 109.49 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -89.33 -2.69 58.53 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -109.11 124.79 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.21 142.72 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.574 -0.704 . . . . 0.0 109.211 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -78.79 123.39 27.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.531 -0.73 . . . . 0.0 110.08 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -86.0 135.52 33.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.402 -0.811 . . . . 0.0 109.4 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -110.19 165.57 11.65 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -95.72 141.68 28.9 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 61' ' ' ARG . 2.2 mmt-85 -97.67 109.03 21.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.689 -1.257 . . . . 0.0 109.84 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -152.05 85.37 1.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.203 -0.936 . . . . 0.0 109.578 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 m -148.63 2.26 0.61 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.087 -1.008 . . . . 0.0 109.817 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.11 123.35 39.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.085 -1.01 . . . . 0.0 108.829 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -70.04 -22.56 63.07 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.177 -0.952 . . . . 0.0 109.336 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.1 p . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.091 179.512 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.855 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.749 0 C3'-C2'-C1' 107.084 3.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 1 O4'-C1'-N19 111.273 4.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 1 O4'-C1'-N19 111.058 4.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C1'-N19 110.328 3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.49 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.191 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.437 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 1 O4'-C1'-N19 111.443 4.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.023 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.351 0 O4'-C1'-N19 110.922 3.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.814 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.924 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.773 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.384 3.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.663 0 O4'-C1'-N19 110.492 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.345 0 O4'-C1'-N19 110.751 3.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.038 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.497 4.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.55 ' P ' HH22 ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.159 4.198 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.001 1 O4'-C1'-N19 111.11 4.137 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C1'-N19 110.637 3.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . 0.548 ' P ' ' ND2' ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.654 1 O4'-C1'-N19 111.53 4.662 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C1'-N19 110.636 3.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 0 O4'-C1'-N19 110.456 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -144.71 -72.03 0.27 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.23 -0.919 . . . . 0.0 109.073 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -61.72 -40.02 93.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 0.0 110.158 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.28 -143.35 32.89 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -149.74 170.14 19.42 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.365 -1.079 . . . . 0.0 109.479 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -53.8 152.0 5.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.133 -0.98 . . . . 0.0 109.531 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -63.05 -40.13 96.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.052 -1.03 . . . . 0.0 109.264 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.95 161.02 32.09 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -39.26 99.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.531 2.154 . . . . 0.0 112.744 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.3 m -60.31 120.17 9.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.177 -0.952 . . . . 0.0 108.799 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -138.59 150.47 46.34 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.313 -0.867 . . . . 0.0 109.799 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.4 t -76.54 111.3 11.88 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.8 p -68.3 -9.11 45.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.56 -0.713 . . . . 0.0 110.077 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.1 m-80 -97.39 -39.65 9.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.442 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.506 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.6 p -131.77 13.07 4.87 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.95 -1.094 . . . . 0.0 111.378 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 59.65 6.53 0.86 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.109 -0.995 . . . . 0.0 112.208 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.506 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 15.7 m -64.01 121.2 13.56 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.354 -1.466 . . . . 0.0 110.174 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -99.65 0.11 41.35 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.562 -0.711 . . . . 0.0 109.36 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.9 m -120.05 130.08 54.53 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.565 -0.709 . . . . 0.0 109.229 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.401 ' CB ' HD22 ' A' ' 34' ' ' ASN . 1.5 t -168.37 150.02 4.82 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.147 -0.97 . . . . 0.0 109.62 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -82.62 -17.58 7.26 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.903 1.735 . . . . 0.0 110.812 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.537 HD23 ' NH2' ' A' ' 24' ' ' ARG . 19.3 tp -150.01 121.64 8.03 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.918 0.866 . . . . 0.0 110.129 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -84.98 123.08 30.12 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.591 0.71 . . . . 0.0 109.446 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.537 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.9 mmt180 -104.97 170.17 8.02 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -137.46 151.25 48.28 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.315 -0.865 . . . . 0.0 109.585 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.2 t30 -89.44 142.75 29.86 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -43.85 -11.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.506 1.471 . . . . 0.0 112.715 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -101.9 4.88 40.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.094 -1.004 . . . . 0.0 109.836 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.0 21.4 57.41 Favored Glycine 0 N--CA 1.493 2.442 0 O-C-N 121.189 -0.944 . . . . 0.0 111.432 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -95.64 112.26 58.44 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 120.795 -1.415 . . . . 0.0 109.555 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -48.91 138.79 26.36 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 121.931 1.754 . . . . 0.0 113.602 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.8 mt -135.48 159.5 41.39 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.432 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.1 p -82.86 -145.9 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.247 -1.533 . . . . 0.0 107.919 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 1.6 p30 -81.53 -63.43 1.4 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.025 -1.047 . . . . 0.0 110.815 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.175 -0.953 . . . . 0.0 113.377 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 99.3 m -58.71 -53.9 53.15 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.01 -1.681 . . . . 0.0 110.475 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.03 -44.99 96.71 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.504 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 56.0 mt -68.67 -40.07 80.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.168 -1.195 . . . . 0.0 110.252 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 39.5 t80 -75.73 -50.55 14.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 111.653 -178.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 tp -60.03 -50.4 73.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.0 110.471 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -59.98 -45.05 93.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.812 -1.18 . . . . 0.0 110.494 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.03 -38.73 75.97 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.998 -1.064 . . . . 0.0 110.714 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 65.6 m80 -86.43 -40.0 15.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.14 17.72 68.3 Favored Glycine 0 N--CA 1.493 2.49 0 O-C-N 120.77 -1.207 . . . . 0.0 110.914 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.6 m -140.1 171.7 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.088 -1.243 . . . . 0.0 109.237 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 m -44.9 138.82 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.18 -0.95 . . . . 0.0 109.714 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.55 HH22 ' P ' ' C' ' 119' ' ' ' DT' . 3.9 ttt-85 -99.72 133.29 21.88 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.43 -0.794 . . . . 0.0 109.032 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.434 ' C ' ' N ' ' A' ' 50' ' ' SER . 55.4 Cg_endo -71.83 81.58 1.34 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.14 1.227 . . . . 0.0 109.908 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -55.91 -10.11 0.71 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.4 -0.813 . . . . 0.0 108.868 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.434 ' N ' ' C ' ' A' ' 48' ' ' PRO . 37.7 m -58.67 -11.04 2.67 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.95 6.07 34.01 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 42.6 tptt -59.32 130.08 45.19 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.351 -0.843 . . . . 0.0 110.661 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.43 153.68 35.15 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.285 0.564 . . . . 0.0 109.999 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -98.33 -2.95 38.18 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.473 -0.767 . . . . 0.0 108.96 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.23 131.15 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.547 -0.721 . . . . 0.0 109.25 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.9 mt -124.54 137.45 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 CA-C-O 121.431 0.634 . . . . 0.0 109.713 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -70.16 123.51 21.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.377 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -87.62 135.84 33.19 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.216 -0.928 . . . . 0.0 109.681 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 59' ' ' ARG . 36.6 mtt-85 -105.02 170.7 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.875 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -76.12 -164.51 0.39 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.52 0.676 . . . . 0.0 109.924 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -138.09 153.05 49.31 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.548 ' ND2' ' P ' ' C' ' 123' ' ' ' DG' . 39.5 p-10 -84.6 -7.65 59.17 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.071 -1.018 . . . . 0.0 109.185 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -63.79 -31.85 73.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.454 -0.779 . . . . 0.0 109.694 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.7 146.54 5.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.902 . . . . 0.0 109.461 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -83.27 145.72 28.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.306 -0.871 . . . . 0.0 109.112 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.03 -1.044 . . . . 0.0 109.222 179.703 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.379 0 C3'-C2'-C1' 107.068 3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.861 0 O4'-C1'-N19 110.961 3.952 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 0 C3'-C2'-C1' 106.963 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.427 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.356 4.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.139 1 O4'-C1'-N19 111.55 4.687 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.519 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.455 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.713 3.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.834 0 C3'-C2'-C1' 106.835 2.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.122 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.577 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.397 0 O4'-C1'-N19 110.227 3.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 1 O4'-C1'-N19 111.291 4.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.575 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.931 3.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.575 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 111.035 4.044 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 0 O4'-C1'-N19 110.966 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.042 1 O4'-C1'-N19 111.471 4.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.431 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 1 O4'-C1'-N19 111.494 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.199 0 C3'-C2'-C1' 107.12 3.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 1 O4'-C1'-N19 111.545 4.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.042 4.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.434 3.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.81 3.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.184 0.516 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.95 -40.05 87.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 0.0 109.02 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.806 HD22 ' H ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -95.67 177.63 5.73 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.284 -0.885 . . . . 0.0 109.704 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.15 -130.37 50.88 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -59.83 127.42 31.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -1.187 . . . . 0.0 108.498 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -60.05 -52.04 67.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.16 -0.963 . . . . 0.0 110.195 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -88.31 166.68 14.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.822 -1.174 . . . . 0.0 109.347 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.94 161.1 52.05 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.18 -1.58 9.05 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.327 2.018 . . . . 0.0 111.45 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 m -58.94 122.68 14.27 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.533 -0.73 . . . . 0.0 109.756 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.62 147.92 38.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.042 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -70.87 109.96 5.33 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 109.461 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -66.09 -12.5 55.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.866 -0.521 . . . . 0.0 110.395 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.552 HD22 ' NH2' ' A' ' 47' ' ' ARG . 6.3 m120 -101.06 -35.21 9.43 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.382 -0.824 . . . . 0.0 112.103 -177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.574 ' SG ' HG22 ' A' ' 17' ' ' THR . 7.4 p -131.64 8.29 4.53 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.613 -1.304 . . . . 0.0 110.511 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 54.77 1.61 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.302 -0.874 . . . . 0.0 112.961 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.574 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.7 t -63.93 130.55 44.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.012 -1.68 . . . . 0.0 109.639 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -100.26 -10.2 21.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.501 -0.749 . . . . 0.0 109.536 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.4 m -102.54 120.66 40.92 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.368 -0.833 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 t -163.33 145.17 7.65 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.725 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.67 -20.3 15.7 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.774 1.65 . . . . 0.0 111.244 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.49 HD23 ' NH2' ' A' ' 24' ' ' ARG . 34.2 tp -152.87 130.07 11.21 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.383 -178.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -87.47 124.32 33.31 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.5 mmt180 -105.32 171.97 7.04 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -135.96 150.38 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.312 -0.868 . . . . 0.0 108.956 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.5 t-20 -91.34 139.49 25.38 Favored Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.49 -11.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.062 1.841 . . . . 0.0 113.052 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.6 mt-10 -99.98 5.64 45.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.939 -1.101 . . . . 0.0 109.663 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 16.1 69.17 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.262 -0.899 . . . . 0.0 111.349 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -93.71 113.49 60.53 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.725 -1.456 . . . . 0.0 108.91 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.9 138.09 27.14 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 121.558 1.505 . . . . 0.0 112.952 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.4 mt -131.5 159.99 36.51 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.1 p -86.59 -141.81 0.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.521 -1.362 . . . . 0.0 108.418 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.506 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 31.7 p-10 -81.99 -69.92 0.58 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.757 -1.214 . . . . 0.0 112.106 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.506 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.92 -32.93 73.37 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.072 -1.018 . . . . 0.0 113.299 -176.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.4 m -58.01 -56.4 22.55 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.905 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.35 -39.95 98.41 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.309 -1.117 . . . . 0.0 110.309 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.407 HD13 ' H62' ' C' ' 120' ' ' ' DA' . 55.3 mt -69.22 -39.99 78.25 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.263 -1.139 . . . . 0.0 112.433 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -79.19 -48.85 13.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.676 -1.265 . . . . 0.0 112.27 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.01 -50.02 75.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.019 -1.051 . . . . 0.0 109.917 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -60.78 -42.82 98.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.161 -0.962 . . . . 0.0 110.363 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.3 mt -70.0 -34.82 73.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.065 -1.022 . . . . 0.0 111.224 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.645 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 54.0 m80 -92.13 -39.59 11.5 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.754 -1.216 . . . . 0.0 110.93 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.41 18.29 69.48 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 120.567 -1.333 . . . . 0.0 111.56 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.4 m -139.21 174.85 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 120.925 -1.338 . . . . 0.0 109.444 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -43.84 136.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.407 -0.808 . . . . 0.0 109.566 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.552 ' NH2' HD22 ' A' ' 14' ' ' ASN . 54.8 ttp180 -119.3 98.44 50.48 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.886 -0.509 . . . . 0.0 109.974 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.05 98.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.499 0 C-N-CA 121.682 1.588 . . . . 0.0 110.937 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.1 -12.37 8.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 109.33 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.5 t -60.02 -11.98 7.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.316 -0.865 . . . . 0.0 109.746 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.5 mt -78.35 -15.06 59.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.078 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -55.28 147.01 17.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.974 -1.079 . . . . 0.0 109.628 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.79 152.61 39.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.406 -0.809 . . . . 0.0 109.484 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -88.46 -8.38 55.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.414 -0.804 . . . . 0.0 109.875 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.8 t -110.02 123.97 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.341 -0.85 . . . . 0.0 109.355 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.3 mt -115.75 129.96 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.652 -0.655 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.13 129.96 37.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.31 -0.869 . . . . 0.0 109.587 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' N ' ' CD ' ' A' ' 58' ' ' LYS . 13.3 mptt -85.69 129.99 34.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.329 -0.857 . . . . 0.0 109.457 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -97.72 167.44 10.95 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.198 -0.939 . . . . 0.0 109.576 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.678 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -75.26 -169.1 0.9 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.967 -178.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -140.09 159.33 42.43 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.54 -0.725 . . . . 0.0 109.498 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 4.9 p30 -149.94 84.48 1.4 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.276 -0.89 . . . . 0.0 108.997 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 p -79.74 -13.29 59.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.488 -0.758 . . . . 0.0 110.256 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.51 146.44 20.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.092 -1.005 . . . . 0.0 109.302 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -68.33 -16.37 63.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.321 -0.862 . . . . 0.0 110.034 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.638 -179.574 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.207 3.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.535 4.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.236 4.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 110.24 3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.502 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.803 1 O4'-C1'-N19 111.842 5.053 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.611 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.495 4.619 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.912 1 O4'-C1'-N19 111.965 5.206 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C1'-N19 110.918 3.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.795 3.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.207 4.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.333 4.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.697 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.485 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 1 O4'-C1'-N19 111.003 4.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.928 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.55 3.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.486 ' OP2' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.042 4.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.649 ' H62' HD13 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.644 3.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.3 1 O4'-C1'-N19 111.875 5.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.12 0 C3'-C2'-C1' 107.146 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.122 1 O4'-C1'-N19 111.597 4.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.447 4.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.074 4.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.323 0.583 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -78.22 148.28 34.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 109.094 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -155.8 158.79 38.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 109.136 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -54.27 -25.18 32.19 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.563 ' C ' ' O ' ' A' ' 4' ' ' GLY . 81.3 tt0 -0.74 -103.45 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.41 0 C-N-CA 122.949 0.5 . . . . 0.0 112.303 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -79.3 174.45 11.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.504 -1.372 . . . . 0.0 108.96 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -51.48 -40.94 60.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.143 -0.973 . . . . 0.0 110.199 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 10' ' ' THR . . . 132.96 -61.32 0.65 Allowed Glycine 0 N--CA 1.498 2.817 0 C-N-CA 120.297 -0.954 . . . . 0.0 110.918 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -36.46 81.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.92 2.413 . . . . 0.0 112.869 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.564 ' N ' ' O ' ' A' ' 8' ' ' GLY . 51.8 m -64.06 122.75 17.3 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.3 -0.875 . . . . 0.0 109.238 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -145.04 149.3 34.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.411 -0.806 . . . . 0.0 109.266 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.34 111.1 7.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.043 -1.036 . . . . 0.0 108.518 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -67.83 -9.14 42.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.385 -0.822 . . . . 0.0 109.832 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -95.88 -40.96 9.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 0.0 110.319 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.684 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.4 p -131.22 4.0 4.36 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.998 -1.064 . . . . 0.0 111.793 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 57.11 3.63 0.15 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.902 -1.124 . . . . 0.0 112.964 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.684 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -65.14 134.56 54.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.126 -1.609 . . . . 0.0 109.224 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -99.8 -5.41 28.65 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.562 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -103.08 117.25 34.15 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.332 -0.855 . . . . 0.0 109.43 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.9 t -161.09 142.73 8.91 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.386 -0.821 . . . . 0.0 108.955 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.84 -19.62 9.59 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 121.827 1.685 . . . . 0.0 112.832 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.582 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.9 tp -154.86 123.71 6.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 0.0 109.548 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -79.92 127.77 32.65 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.429 0.633 . . . . 0.0 111.043 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 28.5 mmt180 -114.49 178.1 4.4 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 ptt-85 -147.49 158.35 43.95 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.001 -1.062 . . . . 0.0 110.17 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.579 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.5 t-20 -85.9 142.83 36.89 Favored Pre-proline 0 N--CA 1.491 1.616 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.95 -8.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.701 1.6 . . . . 0.0 112.03 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.5 mt-10 -98.73 7.17 46.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.181 -0.949 . . . . 0.0 109.407 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.18 11.15 79.07 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 121.349 -0.844 . . . . 0.0 111.587 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -87.44 136.9 32.72 Favored Pre-proline 0 N--CA 1.497 1.9 0 O-C-N 120.583 -1.539 . . . . 0.0 108.666 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.04 134.56 21.6 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.28 1.987 . . . . 0.0 113.388 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -132.55 161.64 33.31 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.36 -166.23 1.54 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 6.4 m120 -73.29 -42.03 62.9 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.714 -1.241 . . . . 0.0 111.214 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.1 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.781 -1.199 . . . . 0.0 111.29 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -62.57 -50.35 71.67 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.684 -1.26 . . . . 0.0 111.113 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.61 -50.03 72.09 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.637 -1.268 . . . . 0.0 110.424 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.649 HD13 ' H62' ' C' ' 120' ' ' ' DA' . 69.9 mt -66.2 -39.92 90.02 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.013 -1.287 . . . . 0.0 109.954 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 29.9 t80 -72.58 -48.04 43.19 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.251 -0.906 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.577 HD23 ' ND2' ' A' ' 26' ' ' ASN . 39.2 tp -62.15 -53.04 61.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 111.102 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.83 -44.33 97.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.845 -1.16 . . . . 0.0 110.641 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.94 -38.22 76.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.111 -0.993 . . . . 0.0 110.615 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 77.1 m80 -87.07 -38.95 16.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.748 -1.22 . . . . 0.0 110.518 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.79 10.66 32.8 Favored Glycine 0 N--CA 1.492 2.374 0 O-C-N 120.718 -1.239 . . . . 0.0 111.056 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -139.7 140.52 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.279 . . . . 0.0 109.811 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.94 146.14 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.591 0.71 . . . . 0.0 110.741 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.486 ' NH1' ' OP2' ' C' ' 118' ' ' ' DC' . 26.0 ttm180 -158.33 137.7 8.34 Favored Pre-proline 0 N--CA 1.49 1.551 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -31.22 113.31 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.814 2.343 . . . . 0.0 114.148 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.65 -13.64 59.56 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -56.7 -11.55 1.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.388 -0.82 . . . . 0.0 109.41 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.3 mt -71.86 -30.11 65.1 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -55.04 162.82 1.2 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 153.66 41.18 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.071 -1.018 . . . . 0.0 109.538 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -88.72 -4.34 58.55 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.326 -0.859 . . . . 0.0 109.033 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.34 129.32 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.0 mt -119.46 130.13 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.37 -0.831 . . . . 0.0 109.846 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -80.64 133.01 35.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.405 -0.809 . . . . 0.0 109.21 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -84.2 129.52 34.89 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 59' ' ' ARG . 53.9 mtt-85 -98.59 169.53 9.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.419 -0.8 . . . . 0.0 109.794 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -72.42 -173.08 1.04 Allowed 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 121.714 0.769 . . . . 0.0 110.385 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -140.01 131.36 26.76 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -85.27 142.08 29.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.158 -0.964 . . . . 0.0 109.127 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.2 t -132.76 140.05 47.86 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.495 -0.753 . . . . 0.0 109.67 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.53 140.35 29.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 0.0 108.801 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.8 p30 -142.28 157.49 44.77 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.153 -0.967 . . . . 0.0 109.227 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.596 -179.625 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.867 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.496 3.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.301 3.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.118 4.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.456 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.443 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.071 1 O4'-C1'-N19 111.494 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.182 1 O4'-C1'-N19 111.154 4.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.463 0 O4'-C1'-N19 110.803 3.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.684 3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.499 0 O4'-C1'-N19 110.809 3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.374 1 O4'-C1'-N19 111.086 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.788 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 1 O4'-C1'-N19 111.404 4.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.535 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.113 4.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.535 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.074 1 O4'-C1'-N19 111.255 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 0 O4'-C1'-N19 110.525 3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 1 O4'-C1'-N19 111.62 4.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.397 1 O4'-C1'-N19 111.013 4.016 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.279 1 O4'-C1'-N19 111.346 4.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.066 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 1 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.423 1 O4'-C1'-N19 111.139 4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 0 O4'-C1'-N19 110.648 3.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.747 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mtp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -90.57 118.21 29.84 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.891 -1.131 . . . . 0.0 108.49 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -97.32 3.48 51.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.393 -0.817 . . . . 0.0 109.602 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . 104.57 -72.56 0.25 Allowed Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 4' ' ' GLY . 46.5 mt-10 -38.6 163.38 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.036 0.922 . . . . 0.0 111.373 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -145.93 -92.43 0.09 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -64.1 -64.39 0.9 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.403 -0.81 . . . . 0.0 109.816 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.77 -64.79 0.19 Allowed Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.609 -1.281 . . . . 0.0 110.298 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.95 172.45 15.42 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.799 2.333 . . . . 0.0 113.136 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.9 m -77.09 154.89 32.86 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 m -130.19 135.09 47.79 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.124 -0.985 . . . . 0.0 110.492 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.9 t -80.63 111.4 17.03 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -66.82 -11.59 55.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.516 -0.74 . . . . 0.0 110.054 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -100.21 -37.23 9.01 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.303 -0.873 . . . . 0.0 110.923 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.678 ' SG ' HG22 ' A' ' 17' ' ' THR . 4.8 p -132.75 7.49 4.09 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.666 -1.271 . . . . 0.0 111.482 -178.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 58.28 -3.71 0.07 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.94 -1.1 . . . . 0.0 112.786 176.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 ' SG ' ' A' ' 15' ' ' CYS . 5.6 t -64.62 133.38 52.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.162 -1.586 . . . . 0.0 110.71 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 27.8 mp0 -104.78 -5.51 21.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.664 -0.648 . . . . 0.0 109.68 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -100.05 114.29 27.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.145 -0.972 . . . . 0.0 109.187 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -165.23 147.83 6.8 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.213 -0.929 . . . . 0.0 109.74 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.92 -17.57 10.74 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.23 1.953 . . . . 0.0 112.408 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.549 HD23 HH21 ' A' ' 24' ' ' ARG . 18.7 tp -155.32 121.02 5.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.17 -0.956 . . . . 0.0 110.53 -178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -80.95 130.23 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.549 HH21 HD23 ' A' ' 22' ' ' LEU . 27.0 mmt180 -109.46 177.85 4.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.515 -0.741 . . . . 0.0 109.973 -178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -137.84 151.29 47.93 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.379 -0.825 . . . . 0.0 110.006 -179.174 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.5 t-20 -90.58 141.07 26.85 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 109.331 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -44.99 -11.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.468 1.445 . . . . 0.0 112.167 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.4 mt-10 -97.4 6.95 47.45 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 0.0 109.283 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.08 9.57 82.1 Favored Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.46 -0.775 . . . . 0.0 112.055 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -87.6 146.34 39.15 Favored Pre-proline 0 N--CA 1.497 1.875 0 O-C-N 120.548 -1.56 . . . . 0.0 108.839 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.79 132.34 10.71 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.064 1.842 . . . . 0.0 112.874 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.8 mt -126.27 159.99 31.56 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.5 p -84.48 -142.43 0.08 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.597 -1.314 . . . . 0.0 108.759 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 6.2 p-10 -81.09 -70.39 0.54 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.554 -1.341 . . . . 0.0 112.104 -178.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.42 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.76 -30.77 71.69 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.938 -1.101 . . . . 0.0 112.918 -176.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 m -58.61 -56.97 15.31 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.139 -1.601 . . . . 0.0 109.839 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.76 -45.79 95.52 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.452 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 29.4 mt -66.12 -40.01 90.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.225 -1.162 . . . . 0.0 110.933 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.4 t80 -77.82 -49.76 13.66 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.303 -0.873 . . . . 0.0 111.336 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.48 -50.04 74.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.892 -1.13 . . . . 0.0 110.483 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -59.96 -45.17 93.51 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.068 -1.02 . . . . 0.0 110.733 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.0 -30.9 68.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.126 -0.984 . . . . 0.0 110.258 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.9 m80 -88.97 -38.29 14.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.92 -1.112 . . . . 0.0 110.611 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.04 10.02 55.29 Favored Glycine 0 N--CA 1.492 2.432 0 O-C-N 120.59 -1.319 . . . . 0.0 111.02 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 m -141.63 146.77 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.888 -1.36 . . . . 0.0 110.097 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.4 m -58.6 145.23 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.3 -0.875 . . . . 0.0 109.067 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.9 tpp180 -149.8 130.85 7.2 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.235 -0.916 . . . . 0.0 108.626 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.4 Cg_exo -34.13 116.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 122.09 1.86 . . . . 0.0 113.046 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.84 -7.25 2.22 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 48' ' ' PRO . 13.9 m -58.57 -17.57 22.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.22 -32.99 69.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.987 -1.071 . . . . 0.0 109.312 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' HG2' ' N ' ' A' ' 53' ' ' THR . 24.6 ttpp -57.87 160.51 4.57 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.897 -1.127 . . . . 0.0 108.8 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.506 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -142.94 150.13 39.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.298 -0.876 . . . . 0.0 109.695 178.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -83.01 -6.83 59.64 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.562 -0.711 . . . . 0.0 109.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.73 127.75 68.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 109.43 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.4 mt -119.67 131.15 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -81.07 133.17 35.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -82.88 130.33 35.12 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -99.86 169.94 8.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.093 -1.004 . . . . 0.0 109.225 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -81.12 -161.75 0.43 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.881 0.848 . . . . 0.0 111.048 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -136.44 145.85 45.7 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -82.15 123.34 28.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.038 -1.039 . . . . 0.0 109.466 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.1 t -157.78 144.95 18.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.586 -0.696 . . . . 0.0 109.203 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.95 122.26 32.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.192 -0.943 . . . . 0.0 109.854 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -155.75 145.87 21.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.154 -0.966 . . . . 0.0 109.684 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.451 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.406 " O5'" ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 C3'-C2'-C1' 106.854 2.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-N19 110.288 3.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.46 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.876 3.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.44 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.038 4.048 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.631 4.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.238 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 C3'-C2'-C1' 107.052 3.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.393 1 O4'-C1'-N19 111.073 4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.149 4.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.731 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.327 0 O4'-C1'-N19 110.669 3.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 0 O4'-C1'-N19 110.453 3.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.513 1 O4'-C1'-N19 111.085 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.505 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.459 0 O4'-C1'-N19 110.987 3.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 0 O4'-C1'-N19 110.684 3.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.036 1 O4'-C1'-N19 111.422 4.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.423 3.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 1 O4'-C1'-N19 111.343 4.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.597 3.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 tpp . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -60.39 -39.95 89.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.357 -0.839 . . . . 0.0 108.927 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -77.69 142.63 38.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.358 -0.839 . . . . 0.0 109.555 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.58 -76.0 0.34 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 4.9 pm0 -151.01 162.69 40.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.396 -1.061 . . . . 0.0 109.704 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.499 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 26.6 mp0 -59.52 156.48 13.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 108.693 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.38 -42.36 95.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.27 -0.894 . . . . 0.0 109.235 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.0 175.02 30.9 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.19 109.83 1.23 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.473 2.115 . . . . 0.0 111.704 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.6 m -60.28 126.06 26.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.407 -0.808 . . . . 0.0 109.978 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.9 m -146.32 141.19 27.04 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.515 -0.741 . . . . 0.0 109.113 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 t -68.26 109.65 3.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.675 -1.266 . . . . 0.0 109.164 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.7 p -66.25 -10.23 40.1 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.559 -0.713 . . . . 0.0 109.891 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -98.48 -39.82 8.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.264 -0.898 . . . . 0.0 110.852 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.575 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.2 p -131.7 8.03 4.49 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.854 -1.154 . . . . 0.0 111.413 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 54.57 4.33 0.06 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.854 -1.154 . . . . 0.0 112.707 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.575 HG22 ' SG ' ' A' ' 15' ' ' CYS . 12.1 t -64.51 133.32 52.15 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.078 -1.638 . . . . 0.0 109.98 -178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -101.54 -8.69 21.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.386 -0.821 . . . . 0.0 109.498 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -101.08 117.92 35.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 109.034 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.6 t -163.2 142.57 6.71 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 120.981 -1.074 . . . . 0.0 110.147 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.78 -20.22 15.56 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.123 1.882 . . . . 0.0 111.524 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.519 HD23 ' NH2' ' A' ' 24' ' ' ARG . 34.6 tp -154.61 125.02 6.89 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.269 -0.895 . . . . 0.0 110.273 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -83.55 127.48 33.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.732 -0.605 . . . . 0.0 109.587 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.6 mmt180 -107.77 173.82 6.16 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.437 -0.79 . . . . 0.0 109.691 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -138.11 153.91 49.24 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.7 t-20 -91.84 141.02 25.06 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.361 -0.837 . . . . 0.0 108.983 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -44.41 -12.67 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.607 1.538 . . . . 0.0 112.49 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -100.18 6.06 44.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.192 -0.943 . . . . 0.0 109.552 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.8 21.99 54.34 Favored Glycine 0 N--CA 1.492 2.427 0 O-C-N 121.463 -0.773 . . . . 0.0 111.611 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -96.95 110.61 54.55 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 120.695 -1.474 . . . . 0.0 109.365 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.16 136.65 30.4 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.116 1.877 . . . . 0.0 113.412 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.1 mt -134.31 161.12 35.85 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -84.53 -142.44 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.562 -1.336 . . . . 0.0 107.987 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 19.6 p-10 -82.01 -69.55 0.61 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.774 -1.204 . . . . 0.0 111.895 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.453 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.39 -36.98 84.0 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.2 m -56.93 -54.32 47.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.952 -1.717 . . . . 0.0 110.066 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.52 -45.12 96.88 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.14 -40.4 82.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.142 -1.211 . . . . 0.0 110.518 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.7 t80 -79.34 -50.96 10.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.318 -0.864 . . . . 0.0 112.296 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.01 -48.8 80.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.129 -0.982 . . . . 0.0 110.126 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -59.94 -46.19 90.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.023 -1.048 . . . . 0.0 109.747 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.95 -33.8 72.58 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.247 -0.908 . . . . 0.0 110.851 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.635 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.3 m80 -90.87 -38.55 12.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.622 -1.298 . . . . 0.0 111.192 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.29 9.12 28.41 Favored Glycine 0 N--CA 1.492 2.393 0 O-C-N 120.466 -1.396 . . . . 0.0 110.551 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.13 143.65 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 109.738 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.03 146.09 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.467 -0.77 . . . . 0.0 109.884 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 48' ' ' PRO . 11.3 tpp180 -150.05 133.03 8.37 Favored Pre-proline 0 N--CA 1.49 1.532 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.488 ' C ' ' H ' ' A' ' 50' ' ' SER . 31.3 Cg_exo -33.72 108.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.112 1.875 . . . . 0.0 112.974 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.37 -6.94 0.75 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 48' ' ' PRO . 71.0 m -60.9 -11.28 7.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.581 -0.7 . . . . 0.0 110.354 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.99 -30.97 68.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.813 -1.179 . . . . 0.0 108.893 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.9 ttpt -55.83 159.05 3.32 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.35 -0.844 . . . . 0.0 109.824 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -147.07 154.4 41.13 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.602 0.715 . . . . 0.0 109.642 178.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -85.78 -7.38 58.79 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.4 t -109.9 125.52 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -117.35 131.75 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.554 -0.716 . . . . 0.0 109.929 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -71.02 123.13 21.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -82.46 132.25 35.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.186 -0.946 . . . . 0.0 109.803 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -102.91 169.99 8.25 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -70.06 -175.92 1.04 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.988 0.899 . . . . 0.0 111.404 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -144.9 170.66 15.71 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -143.26 -1.04 1.07 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.051 -1.031 . . . . 0.0 109.027 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.5 p -97.08 4.38 51.37 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.513 -0.742 . . . . 0.0 109.708 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.41 90.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.161 -0.962 . . . . 0.0 110.254 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -119.21 138.35 53.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.518 -0.738 . . . . 0.0 110.01 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.333 179.304 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.79 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.419 3.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 0 O4'-C1'-N19 110.475 3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C1'-N19 110.757 3.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.359 3.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.433 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.987 1 O4'-C1'-N19 111.625 4.782 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.037 1 O4'-C1'-N19 111.468 4.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.401 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.069 1 O4'-C1'-N19 111.703 4.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.951 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.349 0 O4'-C1'-N19 110.45 3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.456 1 O4'-C1'-N19 111.409 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-N19 111.051 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.137 1 O4'-C1'-N19 111.388 4.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.124 4.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.35 4.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.949 0 O4'-C1'-N19 110.812 3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 0 O4'-C1'-N19 110.836 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.097 4.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.834 1 O4'-C1'-N19 111.043 4.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.782 3.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.943 1 O4'-C1'-N19 111.759 4.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.12 0 C3'-C2'-C1' 107.02 3.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 1 O4'-C1'-N19 111.288 4.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.465 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.173 0.511 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 54.18 22.34 3.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.598 -0.689 . . . . 0.0 109.168 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -156.23 146.88 21.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.277 -0.889 . . . . 0.0 109.606 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.69 42.77 0.02 OUTLIER Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.68 6.63 46.86 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.202 -1.175 . . . . 0.0 109.559 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.91 -163.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.15 -0.968 . . . . 0.0 109.665 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -60.01 -40.21 88.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.205 -0.935 . . . . 0.0 110.343 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.23 146.72 11.49 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.93 163.79 23.02 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.409 2.073 . . . . 0.0 112.175 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -62.5 123.18 17.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.265 -0.897 . . . . 0.0 109.505 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -138.76 152.14 47.68 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.395 -0.816 . . . . 0.0 109.185 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -75.19 111.63 10.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.035 -1.04 . . . . 0.0 109.38 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.7 p -67.63 -9.98 48.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.718 -0.614 . . . . 0.0 109.986 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -98.23 -42.71 7.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.204 -0.935 . . . . 0.0 110.583 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.9 p -126.72 2.33 6.75 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.935 -1.103 . . . . 0.0 111.198 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 57.28 3.43 0.16 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.051 . . . . 0.0 112.688 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 5.8 t -64.55 131.04 45.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.281 -1.512 . . . . 0.0 109.838 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -98.21 -3.91 36.53 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -105.32 115.92 31.07 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 t -164.22 143.5 6.11 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 120.948 -1.095 . . . . 0.0 109.891 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -77.16 -17.96 14.67 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.035 1.823 . . . . 0.0 112.897 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.531 HD23 ' NH2' ' A' ' 24' ' ' ARG . 27.7 tp -156.56 125.31 5.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.738 -1.226 . . . . 0.0 110.723 -178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -81.99 123.89 29.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.531 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.8 mmt180 -105.46 178.32 4.59 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -139.13 152.15 47.24 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.834 -179.146 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.3 t30 -92.42 141.78 25.21 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 109.527 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -43.67 -11.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.011 1.807 . . . . 0.0 112.501 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.6 mt-10 -96.78 6.76 48.05 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.246 -0.909 . . . . 0.0 109.463 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.08 9.23 82.7 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -88.46 148.52 42.44 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 120.62 -1.517 . . . . 0.0 108.689 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.43 137.29 10.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.456 2.104 . . . . 0.0 112.983 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.1 mt -130.06 160.17 34.53 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.414 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.8 p -83.16 -140.03 0.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.333 -1.48 . . . . 0.0 109.032 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 22.6 p-10 -82.72 -70.64 0.54 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.92 -1.113 . . . . 0.0 112.158 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.58 -35.0 79.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.914 -1.116 . . . . 0.0 113.212 -177.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.1 m -56.99 -55.71 31.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.221 -1.549 . . . . 0.0 110.113 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.6 -44.17 97.94 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.022 -1.085 . . . . 0.0 110.633 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.454 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 43.4 mt -66.75 -39.98 88.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.093 -1.239 . . . . 0.0 111.203 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.633 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 45.2 t80 -72.63 -49.21 33.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.291 -0.881 . . . . 0.0 111.195 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.59 -49.77 76.21 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.402 -0.811 . . . . 0.0 110.823 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.99 -46.41 89.55 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.963 -1.085 . . . . 0.0 109.665 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.91 -37.44 75.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.598 -0.689 . . . . 0.0 111.326 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.633 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 65.8 m80 -88.03 -41.07 13.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.634 -1.291 . . . . 0.0 110.494 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.9 7.63 37.33 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.652 -1.28 . . . . 0.0 110.154 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -135.86 142.8 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.246 -1.15 . . . . 0.0 109.951 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -59.21 139.29 19.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.397 -0.814 . . . . 0.0 108.999 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -147.31 130.52 8.09 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -36.4 116.04 0.14 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 C-N-CA 122.113 1.875 . . . . 0.0 113.002 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.64 -6.43 7.73 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.6 t -57.05 -15.35 5.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.89 -37.96 64.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.186 -0.946 . . . . 0.0 109.318 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 53' ' ' THR . 29.8 tttp -56.42 167.05 0.75 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.063 -1.023 . . . . 0.0 109.347 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.43 ' N ' ' HG2' ' A' ' 52' ' ' LYS . 0.9 OUTLIER -148.01 155.75 41.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.348 -0.845 . . . . 0.0 109.584 178.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -88.87 -0.18 57.13 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.81 127.47 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -124.91 136.3 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -86.77 138.87 31.26 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.357 -0.839 . . . . 0.0 108.795 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -84.32 135.74 34.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.862 . . . . 0.0 109.56 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' A' ' 59' ' ' ARG . 5.4 mmt-85 -100.65 166.77 10.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.876 . . . . 0.0 109.437 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -73.0 -168.82 0.52 Allowed 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.689 0.757 . . . . 0.0 110.088 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 61' ' ' ARG . 27.7 mtt-85 -145.97 160.24 42.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.561 -0.712 . . . . 0.0 109.111 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -147.47 65.43 1.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.137 -0.977 . . . . 0.0 109.099 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -160.03 163.64 33.84 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 0.0 109.269 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.96 142.35 49.41 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -148.97 151.69 35.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.116 -0.99 . . . . 0.0 109.255 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.288 -179.517 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 C3'-C2'-C1' 107.117 3.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.177 2.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.646 0 O4'-C1'-N19 110.674 3.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.574 3.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.51 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.236 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.463 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.439 4.548 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 1 O4'-C1'-N19 111.293 4.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.263 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.913 1 O4'-C1'-N19 111.293 4.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.925 0 O4'-C1'-N19 110.316 3.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.607 3.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.149 0 O4'-C1'-N19 110.851 3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.53 4.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.65 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.084 1 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.787 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.433 1 O4'-C1'-N19 111.472 4.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.495 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.784 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.135 1 O4'-C1'-N19 111.507 4.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.462 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.879 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 1.633 1 O4'-C1'-N19 111.443 4.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.357 3.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.007 1 O4'-C1'-N19 111.463 4.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.449 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 2' ' ' LYS . 5.2 mpp? . . . . . 0 N--CA 1.494 1.769 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 1' ' ' MET . 28.3 ttmt 57.16 108.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.238 -0.914 . . . . 0.0 109.577 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.458 ' C ' ' H ' ' A' ' 5' ' ' GLU . 95.1 m-20 -60.22 134.74 57.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.114 -0.991 . . . . 0.0 109.618 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.88 29.06 1.57 Allowed Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 3' ' ' ASN . 70.0 mm-40 -139.93 160.84 39.0 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.413 -1.051 . . . . 0.0 108.597 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -49.97 145.37 5.7 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.044 -1.035 . . . . 0.0 110.282 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -67.38 -39.78 85.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.523 -0.735 . . . . 0.0 109.093 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -143.36 164.05 27.37 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.74 103.97 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.402 2.068 . . . . 0.0 110.555 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.7 m -65.29 115.21 5.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.354 -0.842 . . . . 0.0 110.458 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.3 m -144.84 148.47 34.02 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.5 t -76.03 110.72 10.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.144 -0.972 . . . . 0.0 109.389 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.6 p -66.9 -11.12 55.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.683 -0.635 . . . . 0.0 110.492 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -98.07 -38.67 9.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.359 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.701 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.2 p -132.71 4.63 3.91 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.894 -1.129 . . . . 0.0 111.309 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 55.73 6.61 0.21 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 112.472 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.701 HG22 ' SG ' ' A' ' 15' ' ' CYS . 15.0 t -66.12 130.35 42.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 119.985 -1.697 . . . . 0.0 109.697 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.527 HE21 ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -99.97 -4.44 30.08 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.065 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.4 m -105.47 115.44 30.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.496 -0.753 . . . . 0.0 109.259 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -165.46 147.82 6.58 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.194 -0.941 . . . . 0.0 109.731 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -78.7 -18.19 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.115 1.876 . . . . 0.0 112.665 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD23 ' NH2' ' A' ' 24' ' ' ARG . 26.1 tp -152.76 125.03 8.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.12 -0.988 . . . . 0.0 110.289 -178.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -86.51 127.78 34.91 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 121.417 0.627 . . . . 0.0 109.53 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 30.5 mmt180 -109.41 176.93 4.9 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.484 HH11 ' HG2' ' A' ' 25' ' ' ARG . 13.9 ptt-85 -136.53 153.19 51.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.407 -0.808 . . . . 0.0 110.039 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.6 t-20 -88.96 138.86 29.05 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.031 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.78 -11.52 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.564 1.51 . . . . 0.0 111.718 178.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.7 mt-10 -101.1 5.62 42.95 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.33 -0.857 . . . . 0.0 109.395 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 12.64 70.82 Favored Glycine 0 N--CA 1.491 2.356 0 O-C-N 121.52 -0.737 . . . . 0.0 111.877 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -93.55 114.6 63.37 Favored Pre-proline 0 N--CA 1.501 2.085 0 O-C-N 120.381 -1.658 . . . . 0.0 109.195 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -49.08 141.4 22.82 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.461 2.107 . . . . 0.0 114.3 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD11 HD22 ' A' ' 26' ' ' ASN . 95.5 mt -134.57 159.9 39.76 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.4 p -85.93 -148.06 0.12 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.48 -1.387 . . . . 0.0 108.149 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 14.4 p-10 -77.12 -67.45 0.71 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.009 -1.057 . . . . 0.0 111.906 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.21 -37.6 87.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.18 -0.95 . . . . 0.0 113.241 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.9 m -58.46 -55.67 32.08 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 119.884 -1.76 . . . . 0.0 110.271 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.2 96.55 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.371 -1.091 . . . . 0.0 110.371 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.463 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 81.1 mt -67.44 -40.26 85.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.43 -1.041 . . . . 0.0 110.067 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 59.3 t80 -75.8 -46.35 31.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.497 -0.752 . . . . 0.0 111.61 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.57 -50.15 70.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -60.12 -45.54 92.64 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 0.0 110.342 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.51 -33.25 69.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.065 -1.022 . . . . 0.0 111.955 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.641 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 50.0 m80 -91.8 -38.49 12.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.563 -1.335 . . . . 0.0 111.521 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.08 5.12 25.17 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.637 -1.289 . . . . 0.0 111.281 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.3 141.43 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.121 -1.223 . . . . 0.0 109.596 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -55.87 144.67 7.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 CA-C-O 121.402 0.62 . . . . 0.0 110.03 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.2 tpt180 -150.71 129.19 6.04 Favored Pre-proline 0 N--CA 1.489 1.5 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.5 Cg_exo -31.29 108.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.164 1.909 . . . . 0.0 113.337 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.07 -12.94 9.46 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -60.0 -9.99 3.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.253 -0.904 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.63 -37.15 73.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.968 -1.082 . . . . 0.0 109.008 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HG2' ' H ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -54.06 166.65 0.35 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.441 ' H ' ' HG2' ' A' ' 52' ' ' LYS . 5.7 t -148.15 155.86 41.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.863 -1.148 . . . . 0.0 110.109 179.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -85.99 -0.8 56.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.6 -0.688 . . . . 0.0 110.199 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 55' ' ' VAL . 6.2 p -118.58 129.6 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.303 -0.873 . . . . 0.0 108.889 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -121.04 135.23 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.65 129.89 35.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -0.861 . . . . 0.0 109.609 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -82.69 130.52 35.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.977 -1.077 . . . . 0.0 108.353 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -104.04 170.6 7.82 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.338 -0.851 . . . . 0.0 109.527 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -74.67 -161.54 0.13 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.824 0.821 . . . . 0.0 110.382 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -150.82 153.66 35.82 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -87.55 139.82 30.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.079 -1.013 . . . . 0.0 108.573 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.0 m -81.29 133.16 35.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.99 -1.069 . . . . 0.0 109.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.15 128.66 35.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.148 -0.97 . . . . 0.0 108.8 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.21 -43.13 92.55 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.438 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.525 179.705 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.704 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.623 0 O4'-C1'-N19 110.249 3.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.043 4.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.401 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.134 1 O4'-C1'-N19 111.451 4.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.515 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.287 4.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.064 1 O4'-C1'-N19 112.099 5.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.424 0 O4'-C1'-N19 110.777 3.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.482 1 O4'-C1'-N19 111.191 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.228 1 O4'-C1'-N19 111.413 4.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.374 1 O4'-C1'-N19 111.295 4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O4'-C1'-N19 110.991 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.15 0 O4'-C1'-N19 110.489 3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 0 O4'-C1'-N19 110.718 3.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.055 0 O4'-C1'-N19 110.416 3.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.488 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.924 3.905 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.525 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.53 2.435 0 O4'-C1'-N19 110.546 3.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 1.701 0 O4'-C1'-N19 110.938 3.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 0 O4'-C1'-N19 110.454 3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O4'-C1'-N19 110.87 3.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.863 3.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 0 O4'-C1'-N19 110.434 3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.463 3.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.2 mmm . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.303 0.573 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -97.35 129.04 44.65 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -67.79 -53.68 25.14 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.198 -0.938 . . . . 0.0 110.335 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.97 87.89 0.01 OUTLIER Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.47 143.23 55.08 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.991 -1.299 . . . . 0.0 109.633 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -78.82 -105.55 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -63.99 -60.16 3.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -0.866 . . . . 0.0 108.941 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.65 -76.99 0.28 Allowed Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.55 120.56 6.25 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.725 2.283 . . . . 0.0 112.316 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.2 m -53.82 122.14 9.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.339 -0.85 . . . . 0.0 109.286 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.8 m -131.4 141.44 49.86 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.637 0.732 . . . . 0.0 110.194 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.2 t -71.74 112.53 7.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.52 -0.738 . . . . 0.0 109.041 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -68.61 -9.72 51.53 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.714 -0.616 . . . . 0.0 109.993 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.502 ' ND2' HD22 ' A' ' 32' ' ' LEU . 74.6 m-20 -97.33 -39.1 9.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 0.0 110.169 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.58 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.2 p -132.1 9.11 4.44 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.854 -1.154 . . . . 0.0 111.439 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 55.85 0.85 0.05 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.626 -1.296 . . . . 0.0 112.509 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.58 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.1 t -63.32 128.32 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 119.985 -1.697 . . . . 0.0 108.719 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -100.46 -8.88 22.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.655 -0.653 . . . . 0.0 109.245 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -99.85 119.6 38.45 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 t -162.22 145.42 8.98 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -84.2 -15.82 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.4 2.067 . . . . 0.0 111.497 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD23 ' NH2' ' A' ' 24' ' ' ARG . 21.6 tp -151.89 123.18 7.73 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.85 0.833 . . . . 0.0 109.942 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -87.21 127.06 35.16 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.571 0.7 . . . . 0.0 110.295 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.541 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.9 mmt180 -107.48 175.83 5.36 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -140.18 151.16 45.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.066 -1.021 . . . . 0.0 109.441 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLU . 26.4 t30 -92.03 140.76 24.75 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.296 -0.878 . . . . 0.0 109.093 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.53 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.64 1.56 . . . . 0.0 112.623 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' ASN . 92.9 mt-10 -98.55 3.85 48.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.107 -0.996 . . . . 0.0 109.068 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.69 12.9 71.11 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -92.14 138.21 24.59 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.77 -1.429 . . . . 0.0 108.339 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.76 137.29 19.89 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.982 1.788 . . . . 0.0 112.327 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 ' ND2' ' A' ' 14' ' ' ASN . 88.6 mt -128.37 159.98 33.65 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -83.01 -159.74 0.36 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.525 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 37.5 p-10 -79.39 -43.26 23.76 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.797 -1.189 . . . . 0.0 110.976 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' C ' HH12 ' A' ' 47' ' ' ARG . . . -67.29 -50.11 61.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.04 -1.038 . . . . 0.0 112.028 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' HA ' HH11 ' A' ' 47' ' ' ARG . 98.6 m -59.74 -53.96 51.91 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.678 -1.263 . . . . 0.0 110.293 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.43 -46.9 92.44 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.784 -1.327 . . . . 0.0 109.784 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.515 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 79.5 mt -68.84 -41.01 79.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.974 -1.309 . . . . 0.0 110.703 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.6 t80 -80.31 -48.33 13.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.231 -0.918 . . . . 0.0 111.578 -178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.17 -48.18 82.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.305 -0.872 . . . . 0.0 109.853 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -59.96 -45.93 91.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.816 -1.178 . . . . 0.0 110.305 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.97 -31.02 68.52 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.422 -0.799 . . . . 0.0 110.64 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.5 m80 -92.54 -34.83 13.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.86 -1.15 . . . . 0.0 111.149 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.71 15.43 54.23 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 120.669 -1.269 . . . . 0.0 111.024 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.69 170.41 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.061 -1.258 . . . . 0.0 109.47 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.6 m -49.39 143.3 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.182 -0.949 . . . . 0.0 110.431 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.538 HH12 ' C ' ' A' ' 35' ' ' ALA . 40.8 ttt180 -112.13 132.96 21.81 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -66.14 88.21 0.25 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 120.794 0.996 . . . . 0.0 110.438 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 51' ' ' LEU . 47.8 mt -57.36 -10.42 1.36 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.329 -0.857 . . . . 0.0 109.112 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 52' ' ' LYS . 77.4 p -59.53 -10.02 3.04 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 49' ' ' LEU . 94.4 mt -78.99 16.5 0.9 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -60.66 121.16 11.52 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-O 121.497 0.665 . . . . 0.0 110.484 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 t -145.27 142.66 29.68 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.855 0.836 . . . . 0.0 110.08 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -93.03 0.01 57.25 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -114.43 129.97 69.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.56 -0.713 . . . . 0.0 109.916 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.41 133.23 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -68.78 124.82 24.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.194 -0.941 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -88.3 133.92 33.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 109.277 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -101.42 169.32 8.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.321 -0.862 . . . . 0.0 108.941 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -76.22 -168.15 0.89 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.474 -0.766 . . . . 0.0 110.898 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -141.84 146.48 35.89 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -82.11 149.97 27.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.397 -0.815 . . . . 0.0 109.028 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.5 m -60.32 138.11 58.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.939 -1.101 . . . . 0.0 109.936 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.64 160.03 25.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.215 -0.928 . . . . 0.0 109.864 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -130.73 145.3 51.91 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.594 -0.691 . . . . 0.0 109.471 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.486 179.803 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.466 0 C3'-C2'-C1' 106.992 3.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 1 O4'-C1'-N19 111.339 4.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.126 2.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.45 ' O6 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.485 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.085 1 O4'-C1'-N19 111.285 4.356 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.305 1 O4'-C1'-N19 111.948 5.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.091 4.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.856 3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 O4'-C1'-N19 110.966 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.18 4.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.711 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.504 3.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 O4'-C1'-N19 110.561 3.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.214 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.421 0 O4'-C1'-N19 110.466 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.518 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.53 2.351 1 O4'-C1'-N19 111.084 4.106 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.451 4.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.485 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.642 3.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.45 ' C4 ' ' O6 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.446 2.002 1 O4'-C1'-N19 111.297 4.371 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.209 0 C3'-C2'-C1' 107.197 3.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.27 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.681 3.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.987 0 O4'-C1'-N19 110.331 3.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 1 O4'-C1'-N19 111.219 4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 mtt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.118 0.485 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.43 ' NZ ' ' ND2' ' A' ' 3' ' ' ASN . 22.3 pttp -60.08 -35.78 75.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.242 -0.912 . . . . 0.0 109.458 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.43 ' ND2' ' NZ ' ' A' ' 2' ' ' LYS . 97.9 m-20 -104.77 19.22 20.86 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.36 -122.3 17.74 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -134.7 105.31 6.41 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.437 -1.037 . . . . 0.0 109.117 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -90.05 -79.97 0.33 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.229 -0.92 . . . . 0.0 109.396 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -141.13 -134.39 0.1 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.054 -1.029 . . . . 0.0 109.394 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 10' ' ' THR . . . -137.51 74.22 0.41 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.58 66.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.76 0 C-N-CA 123.491 2.794 . . . . 0.0 113.66 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 8' ' ' GLY . 99.4 m -61.87 120.0 9.89 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.891 -1.131 . . . . 0.0 108.864 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -141.03 147.77 39.17 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.498 -0.751 . . . . 0.0 109.141 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.1 t -73.63 112.82 10.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.047 -1.033 . . . . 0.0 109.709 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.5 p -67.83 -11.77 59.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.532 -0.73 . . . . 0.0 109.829 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' OD1' HD22 ' A' ' 32' ' ' LEU . 3.1 m120 -97.07 -40.04 9.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.202 -0.936 . . . . 0.0 110.282 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.6 p -131.64 5.55 4.32 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.826 -1.171 . . . . 0.0 111.667 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 58.04 1.28 0.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.819 -1.176 . . . . 0.0 112.589 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.564 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -63.5 131.51 48.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.185 -1.572 . . . . 0.0 109.606 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -102.3 -7.95 21.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.582 -0.699 . . . . 0.0 109.413 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.3 m -104.1 120.78 41.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.401 -0.812 . . . . 0.0 109.072 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.681 ' CB ' HD22 ' A' ' 34' ' ' ASN . 0.1 OUTLIER -165.02 150.34 8.41 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.218 -0.926 . . . . 0.0 109.544 -179.739 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.93 -17.56 10.73 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.886 1.724 . . . . 0.0 111.854 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.517 HD23 ' NH2' ' A' ' 24' ' ' ARG . 41.0 tp -156.22 126.97 6.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.227 -0.92 . . . . 0.0 110.238 -178.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -85.23 129.18 34.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.758 -0.589 . . . . 0.0 109.697 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.517 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.7 mmt180 -108.23 176.38 5.15 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.537 ' CD ' ' N ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -140.1 151.23 45.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.389 -0.82 . . . . 0.0 109.05 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.562 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.8 t-20 -88.96 141.01 29.25 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.271 -0.893 . . . . 0.0 109.158 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -44.38 -10.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.735 1.623 . . . . 0.0 112.032 178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' ASN . 63.7 mm-40 -97.49 5.81 49.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.197 -0.94 . . . . 0.0 109.073 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ASN . . . 82.9 15.59 72.31 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -91.97 138.95 24.45 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 120.734 -1.45 . . . . 0.0 108.489 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.0 131.03 15.04 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.922 1.748 . . . . 0.0 112.878 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' OD1' ' A' ' 14' ' ' ASN . 86.1 mt -126.62 158.73 35.55 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -82.11 -144.58 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.426 -1.421 . . . . 0.0 108.818 178.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.681 HD22 ' CB ' ' A' ' 20' ' ' THR . 2.8 p30 -80.98 -66.2 0.92 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.835 -1.166 . . . . 0.0 111.857 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -64.58 -36.94 85.85 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.23 -55.55 33.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.033 -1.667 . . . . 0.0 110.311 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.89 -45.28 96.1 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 35.6 mt -68.07 -40.02 82.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.03 -1.276 . . . . 0.0 109.806 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 71.9 t80 -74.2 -52.17 13.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.477 -0.765 . . . . 0.0 111.407 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.3 tp -60.88 -50.36 73.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.951 -1.093 . . . . 0.0 110.268 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.3 -48.29 82.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.857 -1.152 . . . . 0.0 110.945 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.15 -32.37 70.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.026 -1.047 . . . . 0.0 110.768 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 77.9 m80 -90.96 -39.01 12.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.551 -1.343 . . . . 0.0 110.427 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.98 10.08 31.19 Favored Glycine 0 N--CA 1.491 2.35 0 O-C-N 120.857 -1.152 . . . . 0.0 111.644 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.63 141.57 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.908 -1.348 . . . . 0.0 110.201 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.24 140.64 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.338 -0.851 . . . . 0.0 109.822 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -151.75 131.24 6.76 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ARG . 30.0 Cg_exo -33.52 112.97 0.07 OUTLIER 'Trans proline' 0 N--CA 1.489 1.228 0 C-N-CA 122.034 1.823 . . . . 0.0 112.788 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.77 -7.93 2.65 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.2 p -60.03 -12.37 7.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.388 -0.82 . . . . 0.0 109.858 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.023 -1.048 . . . . 0.0 108.561 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -57.45 162.73 2.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 0.0 108.693 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.93 151.34 38.5 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.109 -0.994 . . . . 0.0 109.608 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -88.5 -3.44 58.81 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.5 t -111.99 130.0 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -122.09 134.93 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.603 -0.686 . . . . 0.0 110.355 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -80.3 134.02 36.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.87 . . . . 0.0 108.705 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -78.89 127.52 32.13 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.15 -0.969 . . . . 0.0 109.038 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -99.45 166.54 11.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.433 -0.792 . . . . 0.0 108.966 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.54 -165.51 0.62 Allowed 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 122.144 0.973 . . . . 0.0 110.69 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -144.09 166.8 23.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.416 ' N ' HD22 ' A' ' 62' ' ' ASN . 1.8 m120 -81.26 165.07 21.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.128 -0.983 . . . . 0.0 109.718 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -81.91 124.18 29.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.21 -0.931 . . . . 0.0 110.301 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.58 -7.21 59.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 108.869 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -59.99 -40.09 87.95 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.517 -0.739 . . . . 0.0 110.171 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.491 1.595 0 O-C-N 120.834 -1.166 . . . . 0.0 109.085 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.511 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.809 0 C3'-C2'-C1' 107.137 3.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . 0.426 ' OP2' HD11 ' A' ' 22' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.216 0 O4'-C1'-N19 110.534 3.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.478 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.068 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.509 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.255 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.21 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.671 0 O4'-C1'-N19 110.896 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.96 3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.388 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 111.29 4.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.931 3.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.654 1 O4'-C1'-N19 111.146 4.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.42 1 O4'-C1'-N19 111.15 4.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.178 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.506 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.28 1 O4'-C1'-N19 111.137 4.171 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.298 1 O4'-C1'-N19 111.301 4.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 1 O4'-C1'-N19 111.063 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.277 1 O4'-C1'-N19 111.595 4.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 O4'-C1'-N19 110.623 3.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.545 3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 4' ' ' GLY . 12.8 ttmm -114.57 141.73 47.36 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.558 -0.714 . . . . 0.0 109.196 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 6' ' ' GLN . 43.0 p-10 -65.04 -11.63 41.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.287 -0.883 . . . . 0.0 110.645 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.557 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . 87.64 -163.86 34.05 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.557 ' C ' ' O ' ' A' ' 4' ' ' GLY . 99.8 mt-10 1.89 -87.66 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.478 0 C-N-CA 122.992 0.517 . . . . 0.0 112.098 -178.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 4' ' ' GLY . 3.2 mp0 -59.62 138.93 57.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.692 -1.255 . . . . 0.0 109.431 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -69.73 -40.69 76.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.101 -1.0 . . . . 0.0 109.826 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.01 174.35 18.72 Favored Glycine 0 N--CA 1.497 2.704 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -58.15 121.06 9.36 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.495 2.13 . . . . 0.0 111.789 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.9 m -62.07 121.15 12.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.292 -0.88 . . . . 0.0 110.187 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -144.44 141.6 29.73 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.5 t -66.71 107.53 2.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.95 -1.094 . . . . 0.0 109.464 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -67.96 -10.48 53.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.529 -0.732 . . . . 0.0 109.508 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' ND2' HD22 ' A' ' 32' ' ' LEU . 50.5 m-20 -96.18 -37.98 10.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.211 -0.93 . . . . 0.0 110.503 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.37 10.05 3.76 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.799 -1.188 . . . . 0.0 110.942 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 58.39 6.06 0.51 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.37 -0.831 . . . . 0.0 113.125 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -60.9 124.83 21.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.053 -1.654 . . . . 0.0 109.595 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -99.02 -0.65 41.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.448 -0.783 . . . . 0.0 109.539 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -117.86 126.51 52.52 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.466 -0.771 . . . . 0.0 109.731 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.405 ' CG2' ' CE2' ' A' ' 23' ' ' TRP . 3.4 t -165.8 147.84 6.27 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 0.0 109.729 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.98 -18.04 10.4 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.845 1.697 . . . . 0.0 110.973 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD23 ' NH2' ' A' ' 24' ' ' ARG . 50.2 tp -151.6 126.01 9.42 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.43 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.405 ' CE2' ' CG2' ' A' ' 20' ' ' THR . 78.3 m95 -86.82 125.86 34.25 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.461 0.648 . . . . 0.0 109.871 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.5 mmt180 -105.45 170.11 8.07 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -133.75 150.21 51.48 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.425 -0.797 . . . . 0.0 109.828 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.3 t30 -93.06 141.72 24.44 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 0.0 109.573 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -45.27 -11.09 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.766 1.644 . . . . 0.0 112.149 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.7 mt-10 -97.2 5.08 50.72 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 109.301 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.33 12.53 80.44 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -91.91 143.18 27.36 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.815 -1.403 . . . . 0.0 108.721 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.08 139.64 21.79 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.638 1.558 . . . . 0.0 112.756 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.8 mt -129.17 157.78 40.84 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 29.2 p -82.1 -144.39 0.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.246 -1.534 . . . . 0.0 107.967 178.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.755 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -81.52 -65.39 1.02 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.872 -1.143 . . . . 0.0 111.026 -179.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.755 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.8 -38.17 89.62 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.4 m -58.47 -56.01 27.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 119.997 -1.689 . . . . 0.0 109.946 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.36 -46.78 93.7 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 70.2 mt -66.65 -41.2 88.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -1.127 . . . . 0.0 111.241 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 63.7 t80 -77.79 -50.11 12.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 111.314 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.24 -50.09 75.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.102 -0.999 . . . . 0.0 110.089 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.91 -45.47 92.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.203 -0.935 . . . . 0.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.95 -30.38 67.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.087 -1.008 . . . . 0.0 111.09 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 58.2 m80 -92.86 -38.72 11.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.591 -1.318 . . . . 0.0 110.921 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.15 15.99 61.6 Favored Glycine 0 N--CA 1.492 2.419 0 O-C-N 120.678 -1.264 . . . . 0.0 111.441 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -138.41 151.3 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.853 -1.381 . . . . 0.0 110.175 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.33 150.93 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 109.191 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 2.5 tpm_? -160.53 127.81 2.66 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 109.274 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -38.4 110.85 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.216 1.944 . . . . 0.0 113.782 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 51' ' ' LEU . 96.1 mt -62.0 -10.0 8.66 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.6 m -54.8 -9.14 0.31 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.461 -0.774 . . . . 0.0 109.118 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.6 mt -78.42 -24.58 46.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.824 . . . . 0.0 109.474 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.496 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 11.5 tmtt? -52.63 150.84 4.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 109.082 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.54 149.57 36.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 109.868 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.496 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 91.1 m-20 -89.27 -7.31 55.69 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.529 -0.732 . . . . 0.0 109.172 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.2 t -110.01 128.41 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.2 mt -120.38 137.17 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-O 121.314 0.578 . . . . 0.0 109.509 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 57' ' ' LYS . 7.3 ttpm? -82.28 131.67 35.23 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.383 -0.823 . . . . 0.0 109.288 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -86.25 131.24 34.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.405 -0.81 . . . . 0.0 109.827 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 59' ' ' ARG . 52.4 mtt-85 -100.64 170.5 8.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.158 -0.964 . . . . 0.0 108.93 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -77.66 -164.52 0.51 Allowed 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 110.296 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -143.09 125.97 16.15 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -89.42 107.07 18.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.067 -1.02 . . . . 0.0 109.783 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 t -73.31 -46.39 49.82 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' A' ' 65' ' ' ASN . . . -166.55 -12.77 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.594 -0.691 . . . . 0.0 109.261 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.401 ' H ' ' H ' ' A' ' 64' ' ' ALA . 97.6 m-20 -77.06 152.06 35.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.721 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.401 179.788 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.465 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.433 0 C3'-C2'-C1' 107.063 3.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 1 O4'-C1'-N19 111.266 4.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 0 O4'-C1'-N19 110.856 3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.555 3.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.476 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.906 3.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.452 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.257 4.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.388 1 O4'-C1'-N19 111.478 4.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.872 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.495 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.888 1 O4'-C1'-N19 111.163 4.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.341 3.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 1 O4'-C1'-N19 111.13 4.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.147 4.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.798 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.383 1 O4'-C1'-N19 111.202 4.252 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.883 3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.462 3.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.289 1 O4'-C1'-N19 111.026 4.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.241 1 O4'-C1'-N19 111.165 4.207 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.438 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.97 1 O4'-C1'-N19 111.104 4.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 0 C3'-C2'-C1' 107.039 3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.351 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O4'-C1'-N19 110.569 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptp . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.216 0.531 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -61.86 -32.92 73.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.241 -0.912 . . . . 0.0 109.186 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.91 -40.04 87.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.905 -1.122 . . . . 0.0 108.61 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.39 96.09 0.18 Allowed Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -60.23 -40.02 88.72 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.334 -1.098 . . . . 0.0 108.582 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -49.62 -53.6 23.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.609 -0.682 . . . . 0.0 109.746 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -63.08 -162.61 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.74 -1.225 . . . . 0.0 108.655 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.6 161.97 10.12 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.65 22.76 0.39 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.548 2.165 . . . . 0.0 112.193 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.4 m -59.74 121.13 10.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.12 -0.987 . . . . 0.0 109.964 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.3 m -142.8 140.32 31.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.465 -0.772 . . . . 0.0 109.176 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -67.49 110.99 3.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.217 -0.927 . . . . 0.0 109.452 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.0 p -67.14 -10.87 54.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.612 -0.68 . . . . 0.0 110.264 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -98.42 -38.57 9.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.153 -0.967 . . . . 0.0 110.877 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 7.3 p -134.54 0.97 3.07 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.866 -1.146 . . . . 0.0 111.59 -177.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 52.82 48.89 21.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.81 -1.181 . . . . 0.0 110.519 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.457 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 1.2 m -84.05 109.94 18.07 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.588 -0.695 . . . . 0.0 109.311 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -88.29 0.73 55.81 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.288 -1.507 . . . . 0.0 109.831 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.6 m -126.08 117.84 24.03 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.5 t -160.96 144.73 10.0 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.176 -0.953 . . . . 0.0 109.731 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.43 -17.12 10.33 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.727 1.618 . . . . 0.0 112.01 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 ' NH2' ' A' ' 24' ' ' ARG . 28.8 tp -155.23 122.86 5.66 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.138 -0.976 . . . . 0.0 110.467 -179.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -82.62 127.88 33.8 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.337 0.589 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.9 mmt180 -109.18 178.47 4.44 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.75 157.87 44.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.851 -1.155 . . . . 0.0 110.045 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.4 t-20 -88.41 140.63 30.21 Favored Pre-proline 0 N--CA 1.493 1.682 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -49.16 -7.62 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 CA-C-N 119.954 1.019 . . . . 0.0 111.045 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -97.56 9.1 43.36 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.417 -0.802 . . . . 0.0 109.272 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 6.19 86.69 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 121.218 -0.926 . . . . 0.0 112.007 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' NE2' ' CB ' ' A' ' 28' ' ' GLU . 3.2 mp0 -89.44 147.69 38.66 Favored Pre-proline 0 N--CA 1.498 1.97 0 O-C-N 120.512 -1.581 . . . . 0.0 108.504 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.67 143.18 18.64 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.374 2.049 . . . . 0.0 113.733 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -134.22 160.5 37.68 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.4 p -84.5 -141.46 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.306 -1.496 . . . . 0.0 108.549 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.728 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.1 p-10 -80.96 -70.17 0.55 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.038 -1.039 . . . . 0.0 111.666 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.728 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -65.68 -30.95 71.71 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.5 m -57.29 -56.42 22.07 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 119.905 -1.747 . . . . 0.0 110.309 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.82 -46.05 94.95 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 mt -66.45 -43.32 85.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.008 -1.29 . . . . 0.0 110.292 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 82.6 t80 -70.45 -52.44 22.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.808 . . . . 0.0 111.97 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.21 -49.97 75.53 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.398 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -60.92 -45.61 93.99 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.142 -0.974 . . . . 0.0 110.689 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.09 -35.69 74.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 111.387 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 80.3 m80 -91.75 -36.79 13.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.687 -1.258 . . . . 0.0 110.879 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.73 15.12 57.26 Favored Glycine 0 N--CA 1.493 2.492 0 O-C-N 120.908 -1.12 . . . . 0.0 112.002 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 m -141.31 142.63 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 CA-C-N 119.186 1.493 . . . . 0.0 110.434 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.08 140.64 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.259 0.552 . . . . 0.0 110.544 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.553 HH11 ' HG2' ' A' ' 47' ' ' ARG . 4.0 ttt-85 -156.07 136.99 9.17 Favored Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -34.42 110.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 122.299 2.0 . . . . 0.0 114.034 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 51' ' ' LEU . 88.9 mt -61.24 -12.42 13.08 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -55.7 -7.53 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.427 -0.795 . . . . 0.0 109.313 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 49' ' ' LEU . 86.3 mt -69.93 -27.52 64.83 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 53' ' ' THR . 59.9 tttt -55.02 159.01 2.57 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.872 0.844 . . . . 0.0 109.651 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.53 155.63 40.65 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 121.387 0.613 . . . . 0.0 109.514 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -85.76 -8.06 58.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.886 . . . . 0.0 108.696 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.3 t -109.21 122.91 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.21 132.09 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.659 -0.651 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -67.91 119.02 11.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.14 -0.975 . . . . 0.0 109.184 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.67 129.59 34.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.331 -0.856 . . . . 0.0 108.916 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -100.99 165.65 11.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.246 -0.909 . . . . 0.0 109.384 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -72.38 -170.81 0.69 Allowed 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.67 0.747 . . . . 0.0 110.422 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.479 HH11 ' HG2' ' A' ' 61' ' ' ARG . 33.5 mtt-85 -142.18 155.46 45.29 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -151.55 107.54 3.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.009 -1.057 . . . . 0.0 109.65 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.1 t -140.86 131.65 25.82 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.282 -0.886 . . . . 0.0 109.676 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.33 83.6 3.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.304 -0.873 . . . . 0.0 108.971 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -134.84 119.97 18.77 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.419 -0.8 . . . . 0.0 109.446 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.303 -1.429 0 CA-C-O 118.045 -0.978 . . . . 0.0 108.824 179.287 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.547 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.526 1.896 0 O4'-C1'-N19 110.495 3.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 1 O4'-C1'-N19 111.237 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.839 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.404 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.841 1 O4'-C1'-N19 111.926 5.158 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.61 1 O4'-C1'-N19 111.256 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 1 O4'-C1'-N19 111.682 4.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.235 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.271 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.417 " H4'" HH12 ' A' ' 59' ' ' ARG . . . . . . . . 0 O4'--C1' 1.444 1.826 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.369 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 1 O4'-C1'-N19 111.142 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.519 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.665 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.777 3.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.48 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 O4'-C1'-N19 110.815 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.951 3.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.546 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.926 3.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.965 1 O4'-C1'-N19 111.201 4.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.021 0 C3'-C2'-C1' 107.026 3.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.169 4.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.422 0 O4'-C1'-N19 110.59 3.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -102.96 55.71 0.76 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.369 -0.832 . . . . 0.0 109.076 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.17 -40.3 97.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.412 -0.805 . . . . 0.0 110.185 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.64 37.22 1.2 Allowed Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -91.42 12.43 20.62 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.354 -1.086 . . . . 0.0 110.007 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.485 ' O ' ' O ' ' A' ' 7' ' ' ASN . 15.1 pt20 -165.85 170.5 13.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.043 -1.036 . . . . 0.0 110.085 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 6' ' ' GLN . 18.2 m120 -55.9 -158.31 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.373 -0.829 . . . . 0.0 109.403 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' PRO . . . -131.98 179.75 16.89 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 8' ' ' GLY . 51.3 Cg_exo -54.02 -141.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.92 2.414 . . . . 0.0 112.83 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.8 m -59.48 123.66 17.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.168 -0.957 . . . . 0.0 109.579 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.4 m -140.73 152.94 45.68 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' PHE . 5.8 t -79.7 112.19 16.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.998 -1.064 . . . . 0.0 110.385 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.0 p -68.61 -10.06 53.64 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 109.914 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.422 ' ND2' HD22 ' A' ' 32' ' ' LEU . 57.9 m-20 -96.66 -40.3 9.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.019 -1.051 . . . . 0.0 110.061 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.1 p -133.97 6.29 3.65 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.918 -1.114 . . . . 0.0 110.784 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' CYS . 95.5 m-85 54.46 5.89 0.1 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.122 -0.986 . . . . 0.0 113.119 177.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.5 t -64.17 129.27 39.3 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 119.964 -1.71 . . . . 0.0 110.467 -179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -99.6 -0.1 41.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 0.0 109.653 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -107.97 114.32 28.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.38 -0.825 . . . . 0.0 109.206 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -162.53 147.5 9.7 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.071 -1.018 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -79.5 -16.71 11.75 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.944 1.762 . . . . 0.0 112.372 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD23 ' NH2' ' A' ' 24' ' ' ARG . 55.1 tp -154.38 123.93 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.802 -1.186 . . . . 0.0 109.968 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -82.7 126.19 32.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.505 -0.747 . . . . 0.0 109.187 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.4 mmt180 -107.55 177.29 4.88 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.64 151.77 46.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.184 -0.948 . . . . 0.0 109.423 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.9 t30 -88.21 141.66 31.14 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.971 . . . . 0.0 108.771 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -45.04 -9.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.682 1.588 . . . . 0.0 112.494 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.8 mt-10 -98.6 9.44 43.24 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.083 -1.011 . . . . 0.0 109.476 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.01 9.27 85.52 Favored Glycine 0 N--CA 1.492 2.369 0 O-C-N 121.168 -0.958 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.04 146.18 35.93 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.596 -1.532 . . . . 0.0 108.629 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.67 137.55 18.24 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.104 1.869 . . . . 0.0 113.78 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD22 ' ND2' ' A' ' 14' ' ' ASN . 89.3 mt -130.13 158.65 39.09 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -85.2 -141.41 0.08 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.688 -1.257 . . . . 0.0 108.555 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 1.3 p-10 -82.35 -71.5 0.48 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.102 -0.999 . . . . 0.0 111.916 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.66 73.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.86 -1.15 . . . . 0.0 113.46 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.2 m -59.15 -58.34 9.05 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 119.811 -1.806 . . . . 0.0 110.379 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.24 95.8 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.71 -40.72 84.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.231 -1.158 . . . . 0.0 110.282 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 44.7 t80 -73.62 -45.81 50.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 111.587 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.75 -51.76 67.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.745 -1.222 . . . . 0.0 110.408 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.03 -48.99 79.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 111.647 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.69 -39.25 77.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.039 -1.038 . . . . 0.0 111.236 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 78.3 m80 -87.01 -30.19 21.41 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.392 -1.442 . . . . 0.0 109.981 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.76 12.43 3.57 Favored Glycine 0 N--CA 1.49 2.28 0 O-C-N 121.225 -0.922 . . . . 0.0 111.625 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.14 139.44 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.715 -1.462 . . . . 0.0 109.968 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.07 143.07 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 110.728 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 25.9 ttm180 -156.7 137.97 9.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.9 Cg_exo -30.49 115.22 0.05 OUTLIER 'Trans proline' 0 N--CA 1.489 1.222 0 C-N-CA 122.66 2.24 . . . . 0.0 113.53 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.07 -9.66 3.43 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -59.75 -13.05 8.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.055 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -70.21 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.63 160.81 5.18 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.52 147.58 34.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.004 -1.06 . . . . 0.0 110.028 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -86.3 -8.07 58.0 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.5 t -105.88 122.59 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.2 mt -117.86 129.98 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-O 121.294 0.568 . . . . 0.0 109.865 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -73.9 131.24 41.27 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.08 127.99 34.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.947 -1.096 . . . . 0.0 110.604 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -98.09 167.39 10.92 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -69.26 179.56 1.93 Allowed 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.933 0.873 . . . . 0.0 111.35 -177.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -144.86 130.93 19.36 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.335 0.588 . . . . 0.0 110.1 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -90.61 102.92 15.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.206 -0.934 . . . . 0.0 110.326 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 t -159.43 140.38 12.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.269 -0.894 . . . . 0.0 109.677 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.43 84.01 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.098 -1.002 . . . . 0.0 108.819 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -59.04 -39.13 81.06 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.574 -0.704 . . . . 0.0 109.878 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.494 1.73 0 O-C-N 120.712 -1.243 . . . . 0.0 109.997 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.697 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.31 0 C3'-C2'-C1' 107.063 3.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.416 1 O4'-C1'-N19 111.142 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.368 3.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.602 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.538 3.332 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.318 1 O4'-C1'-N19 111.501 4.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.757 3.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.131 0 O4'-C1'-N19 110.678 3.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 1 O4'-C1'-N19 111.017 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 O4'-C1'-N19 110.604 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.238 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.586 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.51 0 O4'-C1'-N19 110.459 3.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 1 O4'-C1'-N19 111.033 4.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 110.42 3.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.735 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 1 O4'-C1'-N19 111.123 4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.513 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.661 3.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.755 1 O4'-C1'-N19 111.597 4.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.571 0 C3'-C2'-C1' 107.082 3.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.323 0 O4'-C1'-N19 110.343 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -62.17 -40.02 94.6 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -144.17 10.24 1.49 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.338 -0.851 . . . . 0.0 109.412 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.19 -153.64 29.47 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -179.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -129.2 143.81 50.99 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -89.96 -79.95 0.33 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.691 -1.256 . . . . 0.0 109.96 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 31.8 p-10 -89.91 -56.0 3.4 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.938 -1.101 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 7' ' ' ASN . . . -159.19 -158.98 9.39 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 8' ' ' GLY . 51.8 Cg_exo -52.3 -157.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.655 2.237 . . . . 0.0 112.44 179.799 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m -62.34 120.37 10.88 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.27 -0.894 . . . . 0.0 110.263 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 m -139.72 143.45 37.04 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.65 109.11 4.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.646 -1.284 . . . . 0.0 108.83 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -67.55 -10.01 47.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.841 -0.537 . . . . 0.0 109.759 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -97.01 -42.84 7.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.367 -0.833 . . . . 0.0 110.754 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.6 p -129.13 5.14 5.3 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.857 -1.152 . . . . 0.0 110.737 -178.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 59.32 4.12 0.45 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.291 -0.881 . . . . 0.0 112.765 177.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -65.7 131.14 45.61 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.06 -1.65 . . . . 0.0 109.473 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -100.06 -9.29 22.8 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.516 -0.74 . . . . 0.0 109.67 -179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -100.02 120.08 39.27 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.278 -0.888 . . . . 0.0 109.181 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.42 ' CB ' HD22 ' A' ' 34' ' ' ASN . 10.0 t -163.14 142.93 6.91 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.323 -0.861 . . . . 0.0 109.389 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.12 -16.0 12.62 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.858 1.706 . . . . 0.0 112.358 179.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 ' NH2' ' A' ' 24' ' ' ARG . 39.6 tp -152.76 120.93 6.23 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 -179.366 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -79.99 127.09 31.87 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.696 0.76 . . . . 0.0 109.752 -179.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.516 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.0 mmt180 -110.79 176.97 4.82 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' CD ' ' N ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -142.18 155.48 45.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.192 -0.943 . . . . 0.0 109.146 179.04 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.547 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.0 t30 -87.98 141.84 31.68 Favored Pre-proline 0 N--CA 1.489 1.509 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -47.12 -9.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 120.844 1.029 . . . . 0.0 111.398 178.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.7 mt-10 -98.41 0.67 45.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.355 -0.84 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.18 61.02 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 121.365 -0.834 . . . . 0.0 111.244 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -95.31 111.9 56.77 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 120.83 -1.394 . . . . 0.0 108.997 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.34 136.23 25.46 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.612 1.541 . . . . 0.0 113.091 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.5 mt -129.43 159.71 35.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.59 -145.44 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.516 -1.365 . . . . 0.0 108.095 178.216 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 3.5 p30 -80.8 -65.65 0.98 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.892 -1.13 . . . . 0.0 111.343 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.62 -40.02 95.64 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -176.807 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.3 m -56.65 -56.08 25.86 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.219 -1.551 . . . . 0.0 110.692 -178.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.09 -48.43 86.15 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.602 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 60.8 mt -64.92 -40.92 95.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.085 -1.244 . . . . 0.0 110.212 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 61.0 t80 -71.3 -51.43 24.41 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.555 -0.715 . . . . 0.0 111.064 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.63 -50.03 75.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.813 . . . . 0.0 111.087 -177.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -59.91 -46.02 90.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.864 -1.148 . . . . 0.0 110.661 -179.143 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.95 -34.29 73.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.301 -0.874 . . . . 0.0 110.443 -178.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 59.4 m80 -85.78 -40.81 15.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.668 -1.27 . . . . 0.0 110.279 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.34 9.53 30.73 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.65 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.21 140.05 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.005 -1.291 . . . . 0.0 109.966 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.46 141.04 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.568 -0.707 . . . . 0.0 110.086 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' PRO . 27.8 ttm180 -159.99 136.6 6.53 Favored Pre-proline 0 N--CA 1.488 1.454 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' ARG . 8.6 Cg_exo -29.39 113.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 122.65 2.234 . . . . 0.0 113.691 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.56 -8.19 4.08 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 48' ' ' PRO . 58.5 p -55.52 -13.04 1.33 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.5 mt -70.82 -32.13 69.09 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -59.84 159.39 9.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.509 -0.745 . . . . 0.0 109.184 178.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 t -144.81 151.69 39.18 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.034 -1.041 . . . . 0.0 110.327 178.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -89.3 -4.26 58.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.3 t -109.63 127.2 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.4 mt -123.31 139.15 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 121.653 0.739 . . . . 0.0 110.085 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -85.46 133.1 34.11 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -84.18 132.32 34.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.189 -0.944 . . . . 0.0 109.296 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 2.3 mmp_? -103.71 169.52 8.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.306 -0.871 . . . . 0.0 109.699 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -76.33 -164.45 0.4 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.91 0.862 . . . . 0.0 110.738 -178.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -144.23 167.16 23.08 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -87.45 107.26 18.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.961 -1.087 . . . . 0.0 109.471 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 p -161.78 -89.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.066 -1.021 . . . . 0.0 109.813 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.03 46.03 1.32 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.617 -0.677 . . . . 0.0 109.837 -179.388 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.032 -1.043 . . . . 0.0 109.327 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.9 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.35 179.619 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.416 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.519 0 O4'-C1'-N19 110.315 3.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.643 3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.005 4.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.121 0 O4'-C1'-N19 110.357 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.46 ' N7 ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.803 1 O4'-C1'-N19 111.786 4.982 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.547 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.565 1 O4'-C1'-N19 111.61 4.762 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.416 1 O4'-C1'-N19 111.981 5.227 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C1'-N19 110.783 3.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.006 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.086 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.699 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 1 O4'-C1'-N19 111.05 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.525 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.632 0 O4'-C1'-N19 110.491 3.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.115 4.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.59 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.512 1 O4'-C1'-N19 111.414 4.517 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.59 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.543 1 O4'-C1'-N19 111.243 4.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.547 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.227 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.877 1 O4'-C1'-N19 111.859 5.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.512 0 C3'-C2'-C1' 107.099 3.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 1 O4'-C1'-N19 111.159 4.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 1 O4'-C1'-N19 111.352 4.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.9 tttm 51.5 81.25 0.08 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.913 . . . . 0.0 109.746 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.02 159.93 32.89 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.174 -0.954 . . . . 0.0 109.302 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.54 -14.45 14.18 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -152.6 -162.85 1.58 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.014 -1.286 . . . . 0.0 109.17 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 8' ' ' GLY . 30.7 tt0 -59.14 139.96 56.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 -179.664 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -70.92 -48.58 52.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.321 -0.862 . . . . 0.0 110.528 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 6' ' ' GLN . . . -143.38 163.3 27.52 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 120.05 -1.072 . . . . 0.0 110.521 -179.086 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.99 74.24 2.96 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.811 2.341 . . . . 0.0 112.027 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.0 m -56.83 118.26 4.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.993 -1.067 . . . . 0.0 108.251 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.3 m -138.03 144.06 40.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.556 -0.715 . . . . 0.0 109.23 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.2 t -72.45 111.55 7.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.828 . . . . 0.0 109.469 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 p -66.52 -9.69 37.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.483 -0.76 . . . . 0.0 109.599 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -99.8 -39.79 8.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.361 -0.837 . . . . 0.0 110.412 -179.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.639 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.0 p -133.56 11.53 4.08 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.719 -1.238 . . . . 0.0 110.794 -178.734 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 48.4 p90 44.1 7.06 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 178.305 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.639 HG22 ' SG ' ' A' ' 15' ' ' CYS . 14.2 t -60.81 132.63 54.49 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.451 -1.406 . . . . 0.0 109.165 -179.381 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.5 -0.06 41.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.375 -0.828 . . . . 0.0 109.645 -179.292 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -113.37 116.74 30.14 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.581 -0.7 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -166.68 146.87 5.03 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.141 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.67 -17.9 12.27 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.101 1.867 . . . . 0.0 112.802 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD23 ' NH2' ' A' ' 24' ' ' ARG . 29.8 tp -153.29 126.77 8.67 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.875 -1.14 . . . . 0.0 110.725 -178.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -86.6 128.6 35.0 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.209 0.528 . . . . 0.0 109.587 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' NH2' ' N7 ' ' B' ' 105' ' ' ' DG' . 29.7 mmt180 -110.65 175.1 5.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.556 -0.715 . . . . 0.0 109.442 -179.013 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 25' ' ' ARG . 18.5 ptt-85 -136.78 151.73 49.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.296 -0.877 . . . . 0.0 110.037 -179.477 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 19.5 t-20 -92.07 141.21 24.98 Favored Pre-proline 0 N--CA 1.493 1.691 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.05 -11.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.431 1.421 . . . . 0.0 112.456 178.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 79.6 mm-40 -102.17 4.06 39.07 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.203 -0.936 . . . . 0.0 110.103 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.93 17.87 60.63 Favored Glycine 0 N--CA 1.495 2.593 0 O-C-N 121.172 -0.955 . . . . 0.0 111.699 179.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -93.35 113.07 59.08 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 120.631 -1.511 . . . . 0.0 109.01 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.65 131.15 32.43 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.926 1.75 . . . . 0.0 113.83 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -126.07 159.01 33.97 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.8 p -85.18 -142.73 0.09 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.374 -1.454 . . . . 0.0 108.575 178.418 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 10.9 p-10 -80.86 -69.82 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.919 -1.113 . . . . 0.0 111.479 -179.401 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.495 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -60.0 -38.09 81.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.32 -0.863 . . . . 0.0 113.037 -177.126 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.2 m -58.4 -54.91 41.71 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.161 -1.587 . . . . 0.0 110.065 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.4 94.58 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.501 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 59.7 mt -66.86 -39.99 87.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.053 -1.263 . . . . 0.0 110.438 -179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE1' ' CE1' ' A' ' 43' ' ' HIS . 66.0 t80 -75.62 -50.04 16.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.384 -0.822 . . . . 0.0 111.527 -178.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.08 -50.05 75.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.061 -1.024 . . . . 0.0 109.939 -178.019 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -59.96 -46.87 88.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.889 -1.132 . . . . 0.0 110.17 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -37.45 75.4 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.203 -0.936 . . . . 0.0 111.293 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE1' ' A' ' 39' ' ' PHE . 71.1 m80 -88.57 -34.99 17.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.7 -1.25 . . . . 0.0 110.563 -178.601 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.28 10.32 47.25 Favored Glycine 0 N--CA 1.49 2.292 0 O-C-N 120.74 -1.225 . . . . 0.0 110.67 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.99 142.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.041 -1.27 . . . . 0.0 109.891 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.6 m -60.0 148.25 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.316 -0.865 . . . . 0.0 110.076 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 48' ' ' PRO . 15.7 tpp180 -150.37 136.29 10.55 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.619 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.8 Cg_exo -28.88 105.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.187 0 C-N-CA 122.497 2.131 . . . . 0.0 113.373 179.498 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.3 mt -60.29 -14.1 16.36 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.8 m -55.92 -7.67 0.35 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.566 -0.709 . . . . 0.0 110.0 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.402 ' H ' ' C ' ' A' ' 49' ' ' LEU . 87.5 mt -71.69 -28.97 64.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.096 -1.002 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -50.46 151.8 2.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.467 -0.771 . . . . 0.0 109.562 179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.61 152.49 40.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.334 -0.854 . . . . 0.0 109.676 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -86.88 -10.09 54.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.332 -0.855 . . . . 0.0 109.863 -179.395 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.4 132.08 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.162 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -119.65 140.15 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.486 -0.759 . . . . 0.0 109.954 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -72.71 122.41 21.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.47 -0.769 . . . . 0.0 109.185 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.74 126.93 31.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.123 -0.985 . . . . 0.0 109.918 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -103.34 169.11 8.74 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.468 -0.77 . . . . 0.0 109.328 -179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -72.12 -172.06 0.83 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.992 0.901 . . . . 0.0 110.772 -178.283 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -146.8 161.86 39.79 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.61 97.47 10.11 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.407 ' OG ' ' OXT' ' A' ' 66' ' ' SER . 62.8 p -85.74 162.22 18.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.406 -0.809 . . . . 0.0 109.312 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.02 -52.79 63.87 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.095 -1.003 . . . . 0.0 109.118 179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -146.48 12.76 1.19 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.245 -0.909 . . . . 0.0 109.579 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.407 ' OXT' ' OG ' ' A' ' 63' ' ' SER . 2.7 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.644 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.481 3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 111.133 4.166 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.68 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 0 O4'-C1'-N19 110.277 3.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.502 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.645 1 O4'-C1'-N19 111.49 4.613 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.311 1 O4'-C1'-N19 111.409 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.091 4.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 1 O4'-C1'-N19 111.033 4.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.712 0 O4'-C1'-N19 110.98 3.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 0 O4'-C1'-N19 110.726 3.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.087 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.986 3.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.666 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.675 3.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.223 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.284 1 O4'-C1'-N19 111.142 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.226 0 O4'-C1'-N19 110.8 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.485 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.958 1 O4'-C1'-N19 111.188 4.235 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.488 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.973 3.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.078 1 O4'-C1'-N19 111.326 4.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 0 C3'-C2'-C1' 107.247 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 0 C3'-C2'-C1' 106.633 2.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 3' ' ' ASN . 26.8 ptt? . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' MET . 16.8 ttmm 38.43 -88.28 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.905 -0.497 . . . . 0.0 110.722 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 1' ' ' MET . 36.4 m120 -75.12 139.4 42.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.041 -1.037 . . . . 0.0 108.883 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.06 108.24 0.3 Allowed Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.228 -1.463 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 2.5 pm0 -149.82 154.61 38.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.505 -0.997 . . . . 0.0 109.523 179.523 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -89.97 -79.38 0.34 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.513 -0.742 . . . . 0.0 109.835 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -117.17 -162.81 0.88 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.595 0.712 . . . . 0.0 109.991 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.72 -77.26 0.02 OUTLIER Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 179.456 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.19 45.19 1.33 Allowed 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.37 2.047 . . . . 0.0 111.818 179.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m -60.61 120.55 10.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.906 -1.121 . . . . 0.0 109.899 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.7 m -140.97 146.82 37.83 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.9 t -80.09 110.92 15.95 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.785 -1.197 . . . . 0.0 108.755 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.1 p -67.47 -9.83 45.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.632 -0.667 . . . . 0.0 109.889 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.549 ' ND2' HD22 ' A' ' 32' ' ' LEU . 51.7 m-20 -99.26 -41.03 7.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 110.845 -178.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.668 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.3 p -129.23 2.3 5.17 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.801 -1.187 . . . . 0.0 111.109 -177.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.49 4.03 0.32 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.202 -0.936 . . . . 0.0 112.988 177.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.668 HG22 ' SG ' ' A' ' 15' ' ' CYS . 8.6 t -67.53 133.81 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.364 -1.46 . . . . 0.0 109.729 -179.355 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -100.81 -2.3 32.6 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.497 -0.752 . . . . 0.0 109.654 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 m -105.12 118.78 37.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.275 -0.891 . . . . 0.0 109.916 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -165.26 145.7 5.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.066 -1.021 . . . . 0.0 110.306 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.88 -16.21 11.52 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.089 1.859 . . . . 0.0 111.674 178.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD23 ' NH2' ' A' ' 24' ' ' ARG . 32.4 tp -153.53 128.67 9.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.11 -0.994 . . . . 0.0 110.386 -179.2 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -88.87 125.97 35.17 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.783 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 29.9 mmt180 -108.34 174.31 5.93 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -138.96 150.21 45.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.136 -0.978 . . . . 0.0 110.453 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.508 HD21 ' CD2' ' A' ' 40' ' ' LEU . 9.1 t-20 -88.92 142.34 30.31 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.98 -6.36 0.66 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.452 1.435 . . . . 0.0 111.014 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 26' ' ' ASN . 98.5 mt-10 -92.05 1.26 57.31 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.43 6.92 80.21 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.51 141.67 32.44 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.729 -1.453 . . . . 0.0 108.889 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.65 141.29 19.5 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.004 1.803 . . . . 0.0 112.929 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.549 HD22 ' ND2' ' A' ' 14' ' ' ASN . 90.3 mt -130.74 159.8 36.22 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 179.004 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.1 p -82.28 -144.32 0.06 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.629 -1.294 . . . . 0.0 108.364 178.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.7 p-10 -80.28 -67.6 0.75 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.029 -1.045 . . . . 0.0 111.806 -179.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.479 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.95 -40.01 96.37 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -176.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.6 m -55.21 -54.89 37.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.133 -1.604 . . . . 0.0 109.811 -178.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.3 -47.27 83.52 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.24 -39.97 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.037 -1.273 . . . . 0.0 109.992 179.278 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -68.67 -57.05 6.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.594 -0.691 . . . . 0.0 111.815 -179.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' CD2' HD21 ' A' ' 26' ' ' ASN . 17.4 tp -60.01 -49.98 75.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.016 -1.052 . . . . 0.0 110.048 -176.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 41' ' ' LYS . 2.8 ttmp? -60.94 -50.22 74.28 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.973 -1.08 . . . . 0.0 111.183 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.03 -38.83 75.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.09 -1.006 . . . . 0.0 111.313 -178.074 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -83.92 -46.44 12.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.669 -1.269 . . . . 0.0 110.832 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.12 1.74 64.32 Favored Glycine 0 N--CA 1.491 2.367 0 C-N-CA 119.549 -1.31 . . . . 0.0 110.589 179.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.0 m -136.22 141.54 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.199 -1.177 . . . . 0.0 109.75 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.8 m -60.41 144.23 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.705 -0.622 . . . . 0.0 110.16 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.485 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 44.1 ttt180 -152.51 137.38 10.86 Favored Pre-proline 0 N--CA 1.492 1.633 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 50' ' ' SER . 27.5 Cg_exo -30.37 101.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.18 0 C-N-CA 122.616 2.211 . . . . 0.0 113.063 -179.001 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.59 -9.36 1.12 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.396 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 48' ' ' PRO . 59.7 p -59.86 -10.07 3.58 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.99 -30.05 66.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -53.85 157.42 2.39 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.23 151.53 39.59 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.902 -1.124 . . . . 0.0 109.912 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -85.67 -3.8 58.98 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -113.17 128.65 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -119.95 133.37 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.615 -0.678 . . . . 0.0 109.256 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -77.82 128.97 34.84 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.876 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -85.09 132.41 34.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.376 -0.827 . . . . 0.0 109.72 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -102.1 170.26 8.22 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.071 -1.018 . . . . 0.0 109.23 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -76.99 -160.07 0.15 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.318 -0.864 . . . . 0.0 110.662 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.402 HH11 ' HG3' ' A' ' 61' ' ' ARG . 29.5 mmm-85 -139.81 167.29 22.46 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.453 -0.78 . . . . 0.0 109.228 -178.441 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -82.83 157.29 23.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.155 -0.966 . . . . 0.0 109.388 -179.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -80.4 159.82 25.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.91 . . . . 0.0 109.839 -179.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.53 114.36 28.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.529 -0.732 . . . . 0.0 109.196 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -60.16 -39.97 88.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.197 -0.939 . . . . 0.0 109.867 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.491 1.624 0 O-C-N 120.873 -1.142 . . . . 0.0 109.22 179.736 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.484 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 0 C3'-C2'-C1' 106.906 3.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.083 2.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.411 4.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 O4'-C1'-N19 110.676 3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.488 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.734 1 O4'-C1'-N19 111.556 4.695 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.155 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.167 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.484 3.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.611 3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 0 O4'-C1'-N19 110.558 3.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.425 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.691 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 1 O4'-C1'-N19 111.067 4.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 1 O4'-C1'-N19 111.344 4.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.847 3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.446 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.434 " O4'" ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.528 2.173 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.456 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.347 1 O4'-C1'-N19 111.076 4.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.029 1 O4'-C1'-N19 111.023 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.406 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.4 -40.07 89.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.405 -0.809 . . . . 0.0 108.901 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -166.42 169.09 14.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.363 -0.836 . . . . 0.0 109.302 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.0 -79.73 0.2 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -72.46 140.02 48.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.06 -1.259 . . . . 0.0 109.458 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -146.59 172.06 14.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.399 -0.813 . . . . 0.0 108.833 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -69.25 151.13 46.65 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.153 -0.967 . . . . 0.0 110.015 -179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.15 97.06 0.41 Allowed Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.26 55.88 5.8 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 121.999 1.799 . . . . 0.0 112.294 -178.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.1 m -60.15 120.23 9.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.6 m -140.2 149.92 43.54 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.505 -0.747 . . . . 0.0 109.299 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.8 t -77.02 110.8 11.95 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.287 -0.883 . . . . 0.0 108.921 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 p -67.49 -10.36 50.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.67 -0.644 . . . . 0.0 109.431 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -96.77 -42.54 7.94 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.319 -0.863 . . . . 0.0 110.59 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' SG ' HG22 ' A' ' 17' ' ' THR . 11.8 p -128.36 4.79 5.71 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.077 -1.014 . . . . 0.0 110.938 -178.105 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 57.08 1.99 0.1 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.278 -0.889 . . . . 0.0 112.616 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.0 t -61.93 133.38 55.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.183 -1.573 . . . . 0.0 108.837 -179.309 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.87 -12.94 18.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 0.0 109.439 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -101.37 121.23 41.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.369 -0.832 . . . . 0.0 109.041 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.8 t -163.46 144.77 7.35 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.274 -0.891 . . . . 0.0 109.856 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.13 -20.41 11.42 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.356 2.038 . . . . 0.0 112.085 179.372 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.545 HD23 HH21 ' A' ' 24' ' ' ARG . 25.1 tp -151.56 125.02 8.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.212 -0.93 . . . . 0.0 109.999 -179.174 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -86.14 127.03 34.64 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.545 HH21 HD23 ' A' ' 22' ' ' LEU . 27.0 mmt180 -107.76 173.61 6.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.407 -0.808 . . . . 0.0 109.196 -179.29 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 25' ' ' ARG . 49.7 mtt-85 -139.91 148.67 42.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.827 . . . . 0.0 109.348 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 28' ' ' GLU . 33.7 t30 -91.5 140.62 25.41 Favored Pre-proline 0 N--CA 1.49 1.542 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.0 -4.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.34 1.36 . . . . 0.0 112.118 178.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 26' ' ' ASN . 47.2 mt-10 -99.1 -1.82 38.59 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.069 -1.019 . . . . 0.0 109.344 179.184 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.98 20.36 55.67 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -96.6 111.01 55.85 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 120.933 -1.334 . . . . 0.0 109.002 179.025 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -50.24 136.34 38.68 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.632 1.554 . . . . 0.0 112.835 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.1 mt -132.6 160.51 36.42 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.0 p -83.5 -145.72 0.08 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.667 -1.271 . . . . 0.0 108.326 177.802 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.815 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -80.73 -68.93 0.64 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.107 -0.996 . . . . 0.0 112.204 -179.464 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.752 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.44 -36.7 78.83 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.762 -1.211 . . . . 0.0 113.585 -176.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.3 m -59.18 -56.92 15.95 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.19 -1.569 . . . . 0.0 110.672 -178.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -45.26 96.22 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.496 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 68.7 mt -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.444 -1.033 . . . . 0.0 110.258 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 85.5 t80 -73.01 -50.99 19.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 112.083 -178.557 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.31 -50.49 73.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.028 -1.045 . . . . 0.0 111.301 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.05 -47.14 87.11 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.034 -1.041 . . . . 0.0 110.036 -179.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.11 -34.65 73.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.406 -0.809 . . . . 0.0 111.054 -178.03 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.573 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 67.4 m80 -91.23 -41.07 11.18 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.297 -1.502 . . . . 0.0 110.942 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.27 9.33 57.41 Favored Glycine 0 N--CA 1.491 2.339 0 O-C-N 120.496 -1.378 . . . . 0.0 110.959 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.41 141.71 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.846 -1.385 . . . . 0.0 109.676 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.57 143.44 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.462 -0.774 . . . . 0.0 111.201 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' A' ' 47' ' ' ARG . 21.5 ttm-85 -153.09 136.36 9.89 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -33.92 113.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.182 1.921 . . . . 0.0 113.188 -179.318 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 51' ' ' LEU . 85.1 mt -62.0 -10.13 9.0 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -54.98 -11.2 0.6 Allowed 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 49' ' ' LEU . 94.6 mt -70.55 -30.86 67.7 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.593 ' NZ ' HD21 ' A' ' 34' ' ' ASN . 46.4 tptt -60.43 160.08 9.31 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.17 157.53 43.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.762 -1.211 . . . . 0.0 110.041 179.021 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -89.34 -6.22 56.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.406 -0.809 . . . . 0.0 109.162 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.62 127.61 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.3 mt -122.82 135.22 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.411 -0.805 . . . . 0.0 110.393 -178.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -78.69 129.68 34.98 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.18 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.58 133.98 34.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.961 . . . . 0.0 108.927 179.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' NH2' " O4'" ' C' ' 121' ' ' ' DT' . 19.9 mtm180 -100.98 170.33 8.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 108.907 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -72.9 -165.56 0.23 Allowed 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.675 0.75 . . . . 0.0 110.051 -178.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -147.43 161.02 41.89 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -86.55 100.77 12.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.141 -0.974 . . . . 0.0 108.76 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.1 p -147.05 14.15 1.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.117 -0.989 . . . . 0.0 109.843 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.23 99.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.003 -1.06 . . . . 0.0 109.682 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -72.03 156.76 38.87 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.15 -0.969 . . . . 0.0 109.803 179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.504 179.838 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.723 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.552 0 C3'-C2'-C1' 106.789 2.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.058 1 O4'-C1'-N19 111.167 4.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.351 1 O4'-C1'-N19 111.514 4.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 0 C3'-C2'-C1' 106.795 2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.508 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.272 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.619 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.473 4.591 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.827 1 O4'-C1'-N19 111.285 4.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 1 O4'-C1'-N19 111.127 4.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.145 4.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.011 4.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.443 1 O4'-C1'-N19 111.119 4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 1 O4'-C1'-N19 111.139 4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.965 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.501 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O4'-C1'-N19 110.728 3.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.514 3.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.485 ' H62' HD13 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.422 ' C4 ' ' O6 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.008 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.431 ' N3 ' ' N1 ' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.66 3.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.99 0 O4'-C1'-N19 110.98 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 0 O4'-C1'-N19 110.257 3.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.08 -41.77 98.52 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.059 -1.025 . . . . 0.0 109.986 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -113.94 122.46 47.03 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.408 -0.808 . . . . 0.0 109.08 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.6 156.67 27.66 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.964 -1.254 . . . . 0.0 109.964 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 59.5 mp0 -142.82 163.44 32.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.421 -1.047 . . . . 0.0 109.561 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -84.2 -163.49 0.8 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.384 -0.822 . . . . 0.0 109.265 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -59.97 -52.6 64.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.031 -1.043 . . . . 0.0 109.818 -179.495 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.52 -167.08 14.6 Favored Glycine 0 N--CA 1.496 2.699 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.55 -170.47 0.99 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.547 2.164 . . . . 0.0 112.25 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.5 m -61.15 122.07 14.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.115 -0.991 . . . . 0.0 109.825 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 m -141.49 145.39 35.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.442 -0.787 . . . . 0.0 109.18 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.88 109.79 4.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.997 -1.064 . . . . 0.0 109.559 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.4 p -68.14 -9.02 43.45 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.668 -0.645 . . . . 0.0 109.31 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -96.13 -41.79 8.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.325 -0.859 . . . . 0.0 110.693 -179.293 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' HG22 ' A' ' 17' ' ' THR . 15.0 p -129.35 10.92 5.81 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.803 -1.186 . . . . 0.0 111.419 -178.594 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 54.54 2.53 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.909 -1.119 . . . . 0.0 112.854 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.549 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -64.5 134.08 53.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.237 -1.539 . . . . 0.0 109.29 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -100.17 -15.06 18.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.347 -0.846 . . . . 0.0 109.551 -179.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.1 m -96.75 122.25 39.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.014 -1.054 . . . . 0.0 109.224 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 t -161.07 142.36 8.76 Favored Pre-proline 0 N--CA 1.487 1.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.96 -20.1 11.9 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.8 1.666 . . . . 0.0 112.268 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.585 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.3 tp -155.73 123.3 5.57 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.069 -1.019 . . . . 0.0 109.561 -179.2 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -81.19 128.68 34.04 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.794 -0.566 . . . . 0.0 111.186 -177.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.64 ' HE ' HD22 ' A' ' 34' ' ' ASN . 29.0 mmt180 -109.55 177.74 4.64 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.351 -0.843 . . . . 0.0 109.827 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 25' ' ' ARG . 5.8 ptt-85 -141.57 158.41 43.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.365 -0.834 . . . . 0.0 109.778 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.0 t-20 -94.98 145.11 28.96 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.287 -0.883 . . . . 0.0 109.333 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -45.42 -11.26 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.433 1.422 . . . . 0.0 112.104 178.241 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -100.03 4.16 44.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.324 -0.86 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.67 16.83 65.06 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 121.511 -0.743 . . . . 0.0 111.54 179.571 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -92.47 140.56 24.12 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 120.532 -1.569 . . . . 0.0 108.463 178.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.49 137.51 20.75 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.25 1.967 . . . . 0.0 113.698 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -134.19 159.96 39.3 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -88.99 -175.9 4.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.64 HD22 ' HE ' ' A' ' 24' ' ' ARG . 17.2 m120 -65.03 -40.09 94.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.58 -1.325 . . . . 0.0 111.355 -179.251 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.85 -53.27 28.15 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.831 -1.168 . . . . 0.0 111.452 -179.015 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.4 m -64.44 -51.22 64.22 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.546 -1.346 . . . . 0.0 111.588 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.27 -49.95 72.99 Favored Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.344 -178.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.619 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 81.6 mt -67.05 -40.07 87.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.102 -1.234 . . . . 0.0 110.007 179.803 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.632 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.4 t80 -71.54 -47.69 53.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.556 -0.715 . . . . 0.0 111.094 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.76 -52.71 63.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.364 -0.835 . . . . 0.0 111.551 -176.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.1 -43.69 95.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.767 -1.208 . . . . 0.0 110.375 -179.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.9 -39.3 76.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 111.375 -178.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.632 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.7 m80 -87.14 -39.96 15.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.651 -1.281 . . . . 0.0 110.533 -178.409 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.87 9.72 63.29 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.707 178.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 m -141.26 145.4 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.923 -1.34 . . . . 0.0 110.176 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 m -57.53 146.97 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.401 -0.812 . . . . 0.0 109.268 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.496 HH11 ' HG2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -150.1 133.86 8.88 Favored Pre-proline 0 N--CA 1.493 1.711 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.597 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.426 ' C ' ' O ' ' A' ' 47' ' ' ARG . 46.5 Cg_exo -31.78 98.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.151 1.901 . . . . 0.0 113.532 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 51' ' ' LEU . 80.0 mt -61.14 -9.41 4.65 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 48' ' ' PRO . 36.4 m -55.98 -5.46 0.17 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 49' ' ' LEU . 91.6 mt -77.07 -16.23 59.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 0.0 108.822 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -55.39 148.6 14.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.418 -0.802 . . . . 0.0 109.557 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.17 152.07 40.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.394 -0.816 . . . . 0.0 109.396 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.98 128.81 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.42 130.54 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.597 -0.69 . . . . 0.0 109.192 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.51 127.4 32.45 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.297 -0.877 . . . . 0.0 108.877 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -82.55 129.72 34.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.194 -0.941 . . . . 0.0 109.163 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.484 ' HG3' HH11 ' A' ' 59' ' ' ARG . 25.6 mmm-85 -101.08 167.76 10.02 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.204 -0.935 . . . . 0.0 109.186 -179.651 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -75.95 -164.61 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.935 0.874 . . . . 0.0 110.904 -178.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -142.62 162.23 36.02 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -148.29 104.71 3.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.939 -1.1 . . . . 0.0 109.574 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.7 t -159.12 47.45 0.31 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.291 -0.881 . . . . 0.0 108.701 179.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.86 155.59 49.58 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.4 0.619 . . . . 0.0 109.485 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -96.96 135.39 39.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 0.0 109.164 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.774 -179.618 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.67 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 C3'-C2'-C1' 106.919 3.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.887 3.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.313 1 O4'-C1'-N19 111.101 4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.452 ' N7 ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.428 1 O4'-C1'-N19 111.47 4.587 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.281 1 O4'-C1'-N19 111.937 5.172 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.388 1 O4'-C1'-N19 111.405 4.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.383 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 111.015 4.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 1 O4'-C1'-N19 111.034 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.248 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.64 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.524 3.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.534 3.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.686 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.444 4.556 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.686 " O5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.639 1 O4'-C1'-N19 111.661 4.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.009 1 O4'-C1'-N19 111.339 4.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.002 0 O4'-C1'-N19 110.865 3.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.561 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.117 1 O4'-C1'-N19 111.046 4.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.271 4.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.842 3.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.542 0 O4'-C1'-N19 110.838 3.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -89.06 105.39 17.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.234 -0.916 . . . . 0.0 109.013 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -69.84 -38.59 76.54 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.705 -0.622 . . . . 0.0 110.108 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.4 -163.3 31.07 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.367 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 5' ' ' GLU . 47.5 mp0 -64.51 131.58 47.51 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.24 -1.153 . . . . 0.0 108.515 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -119.84 14.61 12.51 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -59.34 123.07 15.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.517 -0.739 . . . . 0.0 109.633 -179.394 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.01 173.13 14.55 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.41 69.82 1.43 Allowed 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.554 2.169 . . . . 0.0 111.752 -179.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.5 m -60.75 121.25 11.81 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.389 -0.82 . . . . 0.0 110.274 -178.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.6 m -140.75 144.28 35.42 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -72.94 110.15 7.02 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.0 108.461 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 p -67.14 -9.7 42.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.745 -0.597 . . . . 0.0 109.717 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.564 ' ND2' HD22 ' A' ' 32' ' ' LEU . 56.9 m-20 -97.88 -38.99 9.21 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.199 -0.938 . . . . 0.0 110.525 -178.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.0 p -133.46 1.6 3.44 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.759 -1.213 . . . . 0.0 110.96 -178.446 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 62.86 2.54 1.01 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.368 -0.832 . . . . 0.0 112.813 178.084 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.577 HG22 ' SG ' ' A' ' 15' ' ' CYS . 6.6 t -66.82 134.61 52.47 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.281 -1.512 . . . . 0.0 110.871 -178.354 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -100.29 -11.6 20.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.543 -0.723 . . . . 0.0 109.921 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 m -98.68 118.13 34.7 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.83 -1.169 . . . . 0.0 109.731 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.542 ' CB ' HD22 ' A' ' 34' ' ' ASN . 5.8 t -164.53 145.38 6.49 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.01 -17.37 10.73 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.957 1.771 . . . . 0.0 112.317 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.7 tp -150.86 123.56 8.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.048 -1.033 . . . . 0.0 110.119 -178.176 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -83.95 123.49 30.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' NH2' ' N7 ' ' B' ' 105' ' ' ' DG' . 28.9 mmt180 -105.56 171.17 7.47 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.341 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -131.54 157.41 43.67 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.576 0.703 . . . . 0.0 109.499 -179.569 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.8 t30 -97.06 141.07 22.5 Favored Pre-proline 0 N--CA 1.49 1.559 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.65 -9.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.556 1.504 . . . . 0.0 112.06 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.7 mt-10 -98.28 6.26 47.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.744 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.23 82.9 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -89.84 141.12 28.0 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 120.737 -1.449 . . . . 0.0 108.566 179.055 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -75.49 132.15 14.49 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.43 2.086 . . . . 0.0 112.867 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' ND2' ' A' ' 14' ' ' ASN . 80.1 mt -124.55 160.93 27.25 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 -143.51 0.1 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.356 -1.465 . . . . 0.0 108.432 177.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.56 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 4.0 p30 -80.99 -69.66 0.59 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.016 -1.052 . . . . 0.0 111.476 -179.461 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.56 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.34 -38.29 83.29 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.616 -0.678 . . . . 0.0 112.798 -176.592 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.37 -56.59 20.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.352 -1.467 . . . . 0.0 110.156 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.33 -46.97 93.33 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.512 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 54.9 mt -64.44 -44.51 90.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.173 -1.192 . . . . 0.0 110.561 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 53.2 t80 -70.51 -46.22 64.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.768 -0.582 . . . . 0.0 111.531 -178.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.5 -50.64 70.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.995 . . . . 0.0 110.512 -177.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -62.31 -46.35 89.14 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.859 -1.151 . . . . 0.0 110.482 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -39.86 78.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.366 -0.834 . . . . 0.0 111.082 -178.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.598 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 56.6 m80 -87.23 -41.24 13.86 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.408 -1.432 . . . . 0.0 110.599 -178.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.97 9.47 47.14 Favored Glycine 0 N--CA 1.491 2.344 0 O-C-N 120.818 -1.176 . . . . 0.0 110.989 179.03 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.63 141.71 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.078 -1.248 . . . . 0.0 109.542 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 46' ' ' VAL . 17.3 m -60.65 141.57 16.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.233 0.539 . . . . 0.0 110.166 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 36.8 ttt180 -153.01 138.42 11.58 Favored Pre-proline 0 N--CA 1.495 1.776 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.387 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.9 Cg_exo -29.97 105.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.873 2.382 . . . . 0.0 114.3 -179.495 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.9 -13.3 14.9 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 p -57.98 -9.97 1.6 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.539 0.685 . . . . 0.0 109.32 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.4 mt -71.62 -22.7 61.67 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.034 -1.041 . . . . 0.0 108.307 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 37.6 ttpt -55.17 160.25 2.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.95 . . . . 0.0 110.595 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -144.09 147.79 34.25 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.53 0.681 . . . . 0.0 109.658 178.858 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -87.36 -7.61 57.56 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.385 -0.822 . . . . 0.0 109.345 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.2 p -108.5 128.08 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.067 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.7 mt -119.52 135.61 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.532 -0.73 . . . . 0.0 109.317 -179.216 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -74.1 124.27 25.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.0 108.859 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -79.94 128.53 33.58 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.729 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -98.6 165.04 12.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.049 -1.032 . . . . 0.0 108.978 179.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -74.84 -162.3 0.16 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.181 -0.949 . . . . 0.0 110.656 -178.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -134.34 151.67 51.37 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -86.97 127.17 35.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 109.07 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.2 p -128.37 151.17 49.66 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.74 161.17 39.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.588 -0.695 . . . . 0.0 109.26 -179.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -98.07 146.62 25.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.271 -0.893 . . . . 0.0 109.487 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.491 1.591 0 O-C-N 120.834 -1.166 . . . . 0.0 109.787 179.796 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.73 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.295 3.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 1 O4'-C1'-N19 111.029 4.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.541 4.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.503 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.954 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.394 4.493 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.495 ' C2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.105 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C1'-N19 110.636 3.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 110.643 3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 1 O4'-C1'-N19 111.117 4.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.649 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.269 4.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.52 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.177 1 O4'-C1'-N19 111.115 4.143 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.52 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.938 1 O4'-C1'-N19 111.314 4.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.065 4.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.997 1 O4'-C1'-N19 111.691 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.004 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.008 1 O4'-C1'-N19 111.495 4.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 0 O4'-C1'-N19 110.437 3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.604 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.651 3.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 110.701 3.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.3 0.571 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -64.64 137.75 58.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.482 -0.761 . . . . 0.0 109.84 -179.471 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -152.12 163.76 38.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.179 -0.951 . . . . 0.0 110.082 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.23 -72.13 0.3 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -66.11 154.54 39.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -1.065 . . . . 0.0 109.061 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.417 ' HG3' ' H ' ' A' ' 7' ' ' ASN . 25.7 tp60 -122.04 -147.52 0.39 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.671 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' H ' ' HG3' ' A' ' 6' ' ' GLN . 75.3 m-20 -65.39 -39.99 92.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.067 -1.021 . . . . 0.0 108.879 179.604 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' O ' ' N ' ' A' ' 10' ' ' THR . . . 156.83 -54.6 0.4 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.327 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 88.5 Cg_exo -49.61 62.56 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.902 0 C-N-CA 123.571 2.847 . . . . 0.0 113.789 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.598 ' N ' ' O ' ' A' ' 8' ' ' GLY . 49.8 m -61.12 119.82 9.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.953 -1.092 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.4 m -138.68 144.78 39.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.293 -0.879 . . . . 0.0 109.059 179.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.1 t -72.83 111.57 8.08 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.013 -1.054 . . . . 0.0 109.449 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.1 p -66.66 -9.23 33.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.853 -0.529 . . . . 0.0 109.623 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.564 ' ND2' HD22 ' A' ' 32' ' ' LEU . 65.0 m-20 -99.73 -40.09 7.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.373 -0.829 . . . . 0.0 110.726 -179.15 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.1 p -132.79 5.43 3.94 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.734 -1.229 . . . . 0.0 111.94 -177.522 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 56.59 4.34 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.893 -1.129 . . . . 0.0 112.68 177.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.592 HG22 ' SG ' ' A' ' 15' ' ' CYS . 7.2 t -65.59 132.41 48.78 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.134 -1.604 . . . . 0.0 110.043 -179.091 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -98.06 -5.14 34.51 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.7 m -103.95 117.35 34.1 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.225 -0.922 . . . . 0.0 109.776 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 t -164.47 146.46 6.98 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.072 -1.018 . . . . 0.0 109.91 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -82.51 -15.47 8.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.844 1.696 . . . . 0.0 112.167 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.528 HD23 ' NH2' ' A' ' 24' ' ' ARG . 24.6 tp -154.7 123.45 6.18 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.14 -0.975 . . . . 0.0 110.59 -178.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -83.25 126.72 32.96 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.55 0.69 . . . . 0.0 109.576 179.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.528 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.0 mmt180 -108.27 178.89 4.37 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.536 HH11 ' HG2' ' A' ' 25' ' ' ARG . 7.0 ptt-85 -142.43 150.32 40.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.272 -0.893 . . . . 0.0 109.493 179.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.9 t30 -87.94 142.06 31.93 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -45.57 -10.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.374 1.383 . . . . 0.0 112.593 179.312 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.0 mt-10 -99.95 4.04 44.72 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.957 -1.089 . . . . 0.0 108.934 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 19.37 60.66 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.399 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -95.45 110.13 49.13 Favored Pre-proline 0 N--CA 1.497 1.908 0 O-C-N 120.777 -1.425 . . . . 0.0 108.353 178.725 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.65 135.51 27.49 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.721 1.614 . . . . 0.0 113.482 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' ND2' ' A' ' 14' ' ' ASN . 87.4 mt -128.99 162.23 28.08 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.527 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 27.8 p -85.85 -145.21 0.11 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.41 -1.431 . . . . 0.0 108.483 178.143 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.501 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 20.0 p-10 -80.45 -66.93 0.82 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.776 -1.203 . . . . 0.0 111.829 -178.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.53 -39.43 93.53 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -176.564 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.59 -54.88 41.91 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.12 -1.613 . . . . 0.0 110.562 -178.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.04 -42.37 98.19 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.832 -1.175 . . . . 0.0 110.275 -179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.431 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 91.7 mt -68.36 -42.2 79.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.28 -1.129 . . . . 0.0 111.8 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 30.9 t80 -78.89 -46.13 19.14 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 111.184 -179.002 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -60.04 -49.99 75.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.0 109.918 -177.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -60.03 -42.83 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 0.0 110.6 -179.239 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.01 -33.49 72.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.207 -0.933 . . . . 0.0 111.744 -178.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.6 m80 -92.07 -30.04 16.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.661 -1.275 . . . . 0.0 110.583 -178.095 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.82 12.38 41.73 Favored Glycine 0 N--CA 1.492 2.43 0 O-C-N 120.671 -1.268 . . . . 0.0 111.099 178.404 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.39 168.42 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.032 -1.275 . . . . 0.0 109.626 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -54.49 149.15 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.063 -179.223 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -128.87 134.85 26.77 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.84 102.91 1.27 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.967 1.111 . . . . 0.0 109.334 178.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -58.61 -10.91 2.53 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.46 -0.775 . . . . 0.0 109.286 -178.347 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.8 m -61.56 -15.67 40.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.638 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.44 -29.94 59.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.137 -0.977 . . . . 0.0 109.419 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -53.32 155.05 2.95 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.857 . . . . 0.0 109.728 -179.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.06 160.1 43.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.271 -0.893 . . . . 0.0 109.454 179.179 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -86.23 -5.61 59.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 108.75 179.283 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.9 t -111.23 127.51 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.2 mt -120.04 135.77 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.414 -0.804 . . . . 0.0 109.624 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -74.21 121.69 21.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.199 -0.938 . . . . 0.0 108.79 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.31 134.63 34.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 108.64 179.19 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.48 HH11 ' HG2' ' A' ' 59' ' ' ARG . 5.9 mmt-85 -101.32 165.39 11.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 108.67 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -85.29 -154.14 0.18 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.558 -0.714 . . . . 0.0 109.7 -179.014 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.54 HH11 ' HG2' ' A' ' 61' ' ' ARG . 14.5 mtt-85 -141.27 141.92 33.93 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.699 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -156.7 123.26 5.06 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.622 -1.299 . . . . 0.0 111.185 -178.57 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.9 t -112.93 118.04 33.75 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.633 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.9 130.01 19.64 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.033 -1.042 . . . . 0.0 110.187 -179.083 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -62.21 -40.06 94.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.209 -0.932 . . . . 0.0 108.794 179.474 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.431 179.977 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.472 3.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 O4'-C1'-N19 110.128 2.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.477 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.807 0 O4'-C1'-N19 110.788 3.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.526 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.976 3.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 1.663 1 O4'-C1'-N19 111.756 4.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.435 1 O4'-C1'-N19 111.339 4.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.452 ' N6 ' ' N4 ' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.489 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 0 O4'-C1'-N19 110.566 3.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.452 ' N4 ' ' N6 ' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.097 1 O4'-C1'-N19 111.008 4.01 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 111.015 4.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 0 O4'-C1'-N19 110.982 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.254 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 0 C3'-C2'-C1' 107.108 3.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . 0.419 ' P ' ' ND2' ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.529 2.304 1 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.691 3.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.882 3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.748 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -72.87 144.18 47.51 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.166 -0.959 . . . . 0.0 109.656 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -70.04 157.93 36.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.0 109.482 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.66 -21.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.98 -151.22 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.317 -1.108 . . . . 0.0 110.026 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.418 ' HG3' ' H ' ' A' ' 7' ' ' ASN . 37.2 tp60 -132.03 -145.07 0.25 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' H ' ' HG3' ' A' ' 6' ' ' GLN . 44.6 p-10 -160.33 161.25 33.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.841 -1.162 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.41 167.36 19.95 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.633 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.78 156.41 27.45 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.597 2.198 . . . . 0.0 111.969 179.74 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.1 m -59.03 129.55 42.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.054 -1.029 . . . . 0.0 109.089 -179.373 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 m -138.16 144.84 40.93 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.7 t -72.61 109.25 6.12 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.263 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -67.84 -9.62 46.03 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.605 -0.684 . . . . 0.0 109.743 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.56 -40.12 8.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.349 -0.844 . . . . 0.0 111.401 -178.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.0 p -126.71 1.36 6.77 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.766 -1.209 . . . . 0.0 111.152 -178.157 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 61.64 2.62 0.72 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.294 -0.878 . . . . 0.0 113.106 177.314 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.563 HG22 ' SG ' ' A' ' 15' ' ' CYS . 11.6 t -64.88 133.23 51.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.139 -1.6 . . . . 0.0 109.437 -179.034 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -97.09 -13.75 21.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.854 . . . . 0.0 110.221 -178.519 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 m -104.13 126.27 51.11 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.282 -0.886 . . . . 0.0 108.956 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.6 t -164.51 145.38 6.51 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.172 -0.955 . . . . 0.0 109.83 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.63 -20.89 11.79 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.386 2.057 . . . . 0.0 112.418 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD23 ' NH2' ' A' ' 24' ' ' ARG . 38.6 tp -153.44 121.96 6.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.115 -0.99 . . . . 0.0 110.243 -178.53 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -81.05 123.35 28.3 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' NH2' HD23 ' A' ' 22' ' ' LEU . 32.3 mmt180 -103.6 172.57 6.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 109.072 -179.238 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -132.93 147.09 52.29 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 -179.535 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.4 t30 -88.22 140.12 30.5 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.441 -0.787 . . . . 0.0 109.135 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -42.04 -16.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.469 1.446 . . . . 0.0 112.249 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.2 mt-10 -100.06 6.84 44.99 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.116 -0.99 . . . . 0.0 110.041 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.91 15.99 66.33 Favored Glycine 0 N--CA 1.494 2.565 0 O-C-N 121.268 -0.895 . . . . 0.0 111.872 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -92.67 114.58 62.89 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 120.526 -1.573 . . . . 0.0 109.464 179.389 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.04 135.39 24.04 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.548 2.166 . . . . 0.0 114.229 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.3 mt -133.22 158.38 43.02 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.36 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.0 p -84.14 -140.22 0.07 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.221 -1.55 . . . . 0.0 108.448 177.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.539 ' OD1' ' N ' ' A' ' 34' ' ' ASN . 5.8 p-10 -81.44 -69.34 0.62 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.949 -1.094 . . . . 0.0 111.347 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -63.5 -34.72 78.39 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.0 m -57.69 -53.6 56.41 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.048 -1.657 . . . . 0.0 110.53 -178.251 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.48 -39.89 91.19 Favored Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.981 -1.104 . . . . 0.0 110.515 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 68.8 mt -69.77 -40.18 76.22 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.046 -1.267 . . . . 0.0 111.946 -178.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.613 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 54.2 t80 -78.21 -44.92 24.38 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.831 -1.168 . . . . 0.0 110.928 -179.277 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.8 -52.93 61.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.702 -177.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -60.39 -45.49 93.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.849 -1.157 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.14 -33.35 74.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.339 -0.851 . . . . 0.0 111.948 -177.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.613 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 69.5 m80 -98.13 -20.22 17.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.648 -1.283 . . . . 0.0 110.077 -178.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.61 13.5 58.85 Favored Glycine 0 N--CA 1.494 2.516 0 O-C-N 120.806 -1.184 . . . . 0.0 110.934 178.159 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.17 162.23 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.325 -1.103 . . . . 0.0 109.07 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.7 m -50.53 157.89 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -107.53 133.16 20.51 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.343 -0.848 . . . . 0.0 109.23 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 50' ' ' SER . 23.0 Cg_endo -65.25 84.29 0.2 Allowed 'Trans proline' 0 C--N 1.315 -1.206 0 C-N-CA 120.799 1.0 . . . . 0.0 109.545 178.294 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.74 -8.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.627 -0.67 . . . . 0.0 109.49 -178.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 48' ' ' PRO . 44.5 p -60.01 -15.14 20.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.281 -0.887 . . . . 0.0 108.682 179.524 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.7 mt -84.08 13.29 5.24 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.372 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -58.45 122.35 13.11 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.666 0.746 . . . . 0.0 109.265 179.588 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -145.64 145.49 30.95 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.699 0.761 . . . . 0.0 109.85 179.602 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.46 -0.76 54.49 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.474 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.7 t -113.29 130.0 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 92.9 mt -120.03 132.29 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -68.82 124.25 23.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.218 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -86.56 132.05 34.01 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.376 -0.828 . . . . 0.0 109.527 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HG3' HH11 ' A' ' 59' ' ' ARG . 20.6 mmm-85 -100.47 172.31 7.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.357 -0.839 . . . . 0.0 109.037 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -70.04 -176.96 1.23 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.358 -0.839 . . . . 0.0 111.204 -177.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 61' ' ' ARG . 40.5 mtt-85 -142.91 154.86 44.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.56 -0.712 . . . . 0.0 109.919 -179.551 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' ND2' ' P ' ' C' ' 123' ' ' ' DG' . 47.9 p-10 -86.44 -4.21 59.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.239 -0.913 . . . . 0.0 108.724 179.167 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.2 p -149.15 160.05 43.7 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.75 72.14 1.35 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.345 -0.847 . . . . 0.0 109.307 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.607 HD22 ' N ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -90.03 -1.45 57.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 0.0 109.277 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.482 ' N ' HD22 ' A' ' 65' ' ' ASN . 62.4 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.37 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.191 0 C3'-C2'-C1' 106.942 3.03 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-N19 110.438 3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 O4'-C1'-N19 110.529 3.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 C3'-C2'-C1' 106.823 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.462 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.291 4.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.514 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 111.014 4.018 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C1'-N19 112.119 5.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.49 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 110.828 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 1 O4'-C1'-N19 111.263 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.677 3.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.468 1 O4'-C1'-N19 111.174 4.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.61 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.303 0 O4'-C1'-N19 110.562 3.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.259 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.606 " H4'" ' OP1' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.081 0 O4'-C1'-N19 110.962 3.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.606 ' OP1' " H4'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.15 4.188 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.398 1 O4'-C1'-N19 111.006 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.514 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.379 0 O4'-C1'-N19 110.995 3.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 1 O4'-C1'-N19 111.76 4.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 0 O4'-C1'-N19 110.574 3.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C1'-N19 110.964 3.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.073 0 O4'-C1'-N19 110.785 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -149.63 156.55 42.1 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.96 -1.087 . . . . 0.0 109.078 179.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -113.75 136.34 52.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.371 -0.83 . . . . 0.0 109.801 -179.662 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.91 78.74 0.26 Allowed Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -96.19 5.6 50.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.125 -1.22 . . . . 0.0 109.284 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -61.95 -39.91 93.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -99.64 -168.05 1.55 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.18 -0.95 . . . . 0.0 109.647 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.22 -63.9 0.53 Allowed Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -55.07 -36.19 92.24 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.353 2.035 . . . . 0.0 111.589 179.286 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.4 m -62.36 120.42 10.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.578 -0.701 . . . . 0.0 110.267 -179.121 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -147.57 140.26 24.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.7 t -69.74 110.04 4.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.876 -1.14 . . . . 0.0 109.644 -179.865 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.7 p -67.19 -10.22 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.699 -0.626 . . . . 0.0 109.955 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.519 ' ND2' HD22 ' A' ' 32' ' ' LEU . 73.5 m-20 -98.88 -39.19 8.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.173 -0.954 . . . . 0.0 110.4 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.599 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.0 p -133.32 4.49 3.71 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.829 -1.17 . . . . 0.0 111.394 -178.162 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 56.88 5.36 0.22 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.914 -1.117 . . . . 0.0 113.003 177.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.599 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -66.67 133.16 49.66 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.137 -1.602 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -101.63 -3.27 28.62 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.361 -0.837 . . . . 0.0 109.305 178.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 m -102.64 110.92 23.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.444 -0.785 . . . . 0.0 109.503 -179.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t -165.08 147.82 6.94 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.133 -0.979 . . . . 0.0 109.878 179.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -83.53 -16.21 6.97 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.359 2.039 . . . . 0.0 112.679 179.295 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 ' NH2' ' A' ' 24' ' ' ARG . 24.3 tp -152.86 119.64 5.71 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.968 -1.082 . . . . 0.0 109.689 -179.226 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -82.61 130.62 35.15 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.553 -179.229 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.58 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.6 mmt180 -110.08 176.04 5.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.081 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -134.03 147.3 50.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.81 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLU . 18.9 t-20 -87.75 142.96 32.95 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.647 -0.658 . . . . 0.0 109.725 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -41.38 -12.56 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.998 1.798 . . . . 0.0 113.074 178.385 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' A' ' 26' ' ' ASN . 64.4 mm-40 -98.71 9.44 43.32 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.841 -1.162 . . . . 0.0 109.212 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.21 9.79 86.68 Favored Glycine 0 N--CA 1.489 2.19 0 C-N-CA 120.335 -0.936 . . . . 0.0 110.995 178.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.42 146.06 41.21 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 120.573 -1.546 . . . . 0.0 107.863 178.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.79 131.85 12.62 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 121.594 1.529 . . . . 0.0 113.425 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.519 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.4 mt -122.14 161.15 23.66 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.374 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 p -84.49 -147.82 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.083 -1.636 . . . . 0.0 108.861 178.676 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.467 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 7.4 p-10 -79.89 -64.42 1.19 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.856 -1.153 . . . . 0.0 111.532 -179.083 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.76 86.98 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.003 -1.061 . . . . 0.0 113.597 -177.12 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -59.2 -55.7 31.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.142 -1.598 . . . . 0.0 111.128 -178.02 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.69 -45.09 96.26 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.471 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 52.2 mt -66.43 -40.64 89.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -1.211 . . . . 0.0 110.25 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 56.6 t80 -77.74 -48.91 15.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.288 -0.882 . . . . 0.0 112.422 -178.483 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.97 -50.82 72.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.877 -1.139 . . . . 0.0 110.721 -176.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -60.01 -48.4 81.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.903 -1.123 . . . . 0.0 110.193 -179.542 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.76 -35.93 79.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.29 -0.881 . . . . 0.0 111.254 -177.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 57.9 m80 -88.91 -34.0 17.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.563 -1.336 . . . . 0.0 110.546 -178.546 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.67 11.19 2.61 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.848 -1.158 . . . . 0.0 111.669 178.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.83 140.33 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 CA-C-N 119.022 1.411 . . . . 0.0 110.122 179.732 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.5 m -59.05 141.18 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.572 -0.705 . . . . 0.0 109.678 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 47' ' ' ARG . 4.6 ttt-85 -155.73 136.65 9.08 Favored Pre-proline 0 N--CA 1.49 1.529 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' SER . 50.4 Cg_exo -34.13 110.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.095 1.864 . . . . 0.0 113.84 -178.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 51' ' ' LEU . 85.8 mt -63.28 -9.36 11.32 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 177.56 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 48' ' ' PRO . 56.2 p -53.72 -8.99 0.18 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 49' ' ' LEU . 85.4 mt -69.99 -26.74 64.22 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.783 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -50.93 147.12 5.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.629 0.728 . . . . 0.0 109.705 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.45 150.13 38.58 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.606 -0.683 . . . . 0.0 109.18 178.746 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -85.41 -8.73 58.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.443 -0.785 . . . . 0.0 109.262 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -108.2 121.35 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.4 mt -112.08 130.06 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.637 -0.664 . . . . 0.0 109.279 -179.161 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.54 122.77 24.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 109.091 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -83.84 132.03 34.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.29 -0.881 . . . . 0.0 108.749 179.308 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -100.02 166.95 10.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.328 -0.858 . . . . 0.0 108.961 -179.496 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.563 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.1 -161.63 0.32 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.515 -0.741 . . . . 0.0 109.952 -178.569 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -139.67 114.87 9.73 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -93.1 118.65 31.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.344 -0.848 . . . . 0.0 108.851 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.3 p -60.05 -39.19 85.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.03 -1.044 . . . . 0.0 109.598 -179.634 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.07 153.5 28.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.077 -1.014 . . . . 0.0 109.263 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -63.95 132.4 50.57 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.267 -0.895 . . . . 0.0 109.706 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.068 179.576 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.859 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.51 0 C3'-C2'-C1' 106.964 3.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.45 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.392 0 O4'-C1'-N19 110.383 3.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.488 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 111.498 4.623 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.537 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.303 4.379 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.419 ' N3 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.558 4.698 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.962 1 O4'-C1'-N19 111.247 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.889 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 1 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 1 O4'-C1'-N19 111.274 4.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 1 O4'-C1'-N19 111.278 4.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.93 3.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 0 O4'-C1'-N19 110.616 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-N19 110.764 3.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.627 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.524 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.296 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.503 ' H62' HD13 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.606 3.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.116 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.403 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.432 4.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.729 3.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.866 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -103.42 140.07 37.95 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.615 -0.678 . . . . 0.0 109.526 -179.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -71.8 -22.57 61.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 109.971 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.53 46.8 2.26 Favored Glycine 0 N--CA 1.497 2.739 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.565 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.97 -37.98 81.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.541 -0.976 . . . . 0.0 110.794 -178.514 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -159.9 -131.66 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.707 -1.246 . . . . 0.0 109.989 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.49 138.92 58.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.012 -1.055 . . . . 0.0 109.615 -179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.36 -69.88 0.74 Allowed Glycine 0 N--CA 1.498 2.769 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 179.208 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -53.7 154.91 15.01 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.147 1.898 . . . . 0.0 111.858 179.365 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 m -61.66 118.67 7.4 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.914 -1.116 . . . . 0.0 108.5 179.544 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.2 m -142.66 147.78 36.3 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.245 -0.909 . . . . 0.0 109.159 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 8.8 t -74.39 109.1 7.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.988 -1.07 . . . . 0.0 108.838 179.292 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 p -67.59 -9.97 47.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.643 -0.661 . . . . 0.0 109.725 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.511 ' O ' HD13 ' A' ' 49' ' ' LEU . 1.9 m120 -96.3 -37.68 10.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.127 -0.983 . . . . 0.0 110.193 -179.794 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.588 ' SG ' HG22 ' A' ' 17' ' ' THR . 10.7 p -134.42 8.43 3.66 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.74 -1.225 . . . . 0.0 112.15 -178.492 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 56.83 2.75 0.11 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.757 -1.214 . . . . 0.0 112.843 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.588 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.1 t -63.67 130.93 46.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.015 -1.678 . . . . 0.0 109.126 -179.248 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -100.04 -7.13 25.39 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.7 m -100.64 117.53 34.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.217 -0.927 . . . . 0.0 109.049 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -163.3 144.88 7.56 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.133 -0.979 . . . . 0.0 109.288 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.16 -18.43 7.38 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.087 1.858 . . . . 0.0 112.757 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.571 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 15.5 tp -154.72 124.68 6.68 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.919 -1.113 . . . . 0.0 109.876 -178.844 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.17 126.98 33.21 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-O 121.752 0.787 . . . . 0.0 111.346 -178.181 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HE ' ' ND2' ' A' ' 34' ' ' ASN . 28.7 mmt180 -109.86 177.63 4.66 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.507 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -141.78 154.98 45.6 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.095 -1.003 . . . . 0.0 109.539 179.089 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.6 t-20 -91.65 144.39 29.42 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.29 -9.25 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.216 1.277 . . . . 0.0 111.888 178.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.4 mt-10 -100.2 -0.04 39.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.35 -0.844 . . . . 0.0 109.646 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.59 17.18 60.62 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 121.395 -0.815 . . . . 0.0 111.658 179.272 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -94.62 112.39 57.67 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.629 -1.512 . . . . 0.0 109.276 179.123 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.67 133.86 27.03 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.718 1.612 . . . . 0.0 112.955 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -127.25 158.52 36.95 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 24.6 p -87.54 -173.08 4.18 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 176.127 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 22' ' ' LEU . 11.1 m120 -68.67 -40.78 80.0 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.654 -1.279 . . . . 0.0 112.42 -178.588 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -50.67 55.39 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.634 -1.292 . . . . 0.0 111.003 -178.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.46 -52.72 63.37 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.669 -1.27 . . . . 0.0 110.684 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.53 -49.47 69.27 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.651 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 50.1 mt -69.9 -41.27 74.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.121 -1.223 . . . . 0.0 110.842 -179.69 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.0 t80 -74.32 -47.98 31.21 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 111.227 -179.509 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.97 -49.85 76.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.002 -1.061 . . . . 0.0 110.705 -177.584 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.98 -43.21 95.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.096 -1.003 . . . . 0.0 110.373 -179.499 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.56 -38.16 77.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.481 -0.762 . . . . 0.0 112.084 -178.499 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.561 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 29.8 m80 -93.06 -31.3 14.89 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.662 -1.274 . . . . 0.0 110.582 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.5 22.37 71.34 Favored Glycine 0 N--CA 1.493 2.491 0 O-C-N 120.663 -1.273 . . . . 0.0 111.492 178.316 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' ARG . 33.4 m -131.57 159.93 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.036 -1.273 . . . . 0.0 110.523 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 46' ' ' VAL . 2.5 m -53.02 90.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-O 122.258 1.028 . . . . 0.0 109.642 -179.673 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.524 ' NH2' ' OP1' ' C' ' 119' ' ' ' DT' . 7.5 ttt-85 -51.05 110.27 1.7 Allowed Pre-proline 0 C--N 1.292 -1.909 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.383 -179.394 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.18 98.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.31 1.34 . . . . 0.0 110.503 178.023 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 14' ' ' ASN . 55.3 mt -59.78 -10.57 3.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.341 -0.849 . . . . 0.0 109.67 -179.058 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.6 t -60.57 -14.26 19.03 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -79.57 -9.45 59.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.927 . . . . 0.0 109.865 -178.542 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -51.99 139.36 22.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.087 -1.008 . . . . 0.0 110.487 -179.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.08 154.39 41.1 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.474 0.654 . . . . 0.0 109.732 178.814 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -90.17 -6.87 54.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 110.41 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.14 125.94 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.099 -1.001 . . . . 0.0 109.664 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.0 mt -120.47 135.8 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.551 -0.718 . . . . 0.0 109.487 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -76.25 125.15 28.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.021 -1.05 . . . . 0.0 109.91 -179.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -88.74 136.38 33.03 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.562 -0.711 . . . . 0.0 109.592 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -99.58 166.81 10.96 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.096 -1.003 . . . . 0.0 109.377 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -74.9 -165.94 0.42 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.536 -0.728 . . . . 0.0 109.931 -179.145 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -144.46 146.93 32.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.493 -0.754 . . . . 0.0 109.339 179.534 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -85.24 151.16 24.28 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.234 -0.917 . . . . 0.0 109.771 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -92.34 161.02 14.85 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.274 -0.892 . . . . 0.0 109.92 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -127.85 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.383 -0.823 . . . . 0.0 109.447 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.63 HD22 ' N ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -89.95 -2.6 58.19 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.126 -0.984 . . . . 0.0 109.177 179.632 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.525 ' N ' HD22 ' A' ' 65' ' ' ASN . 20.7 p . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.791 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.394 0 C3'-C2'-C1' 106.892 2.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 1 O4'-C1'-N19 111.275 4.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 0 O4'-C1'-N19 110.501 3.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 111.573 4.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.4 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 1 O4'-C1'-N19 111.852 5.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.04 4.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 0 C3'-C2'-C1' 106.939 3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.942 3.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.506 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.577 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.538 3.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.567 3.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.389 4.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.281 1 O4'-C1'-N19 111.271 4.339 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.622 ' P ' HD22 ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 111.096 4.12 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.131 1 O4'-C1'-N19 111.411 4.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.038 0 O4'-C1'-N19 110.431 3.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 0 O4'-C1'-N19 110.981 3.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.546 3.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.73 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.099 4.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.585 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -60.06 -41.97 93.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 109.232 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.9 p-10 -162.0 68.46 0.27 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.831 . . . . 0.0 108.869 179.232 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.7 -176.03 39.17 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -79.13 159.48 27.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.556 -0.967 . . . . 0.0 109.787 -179.621 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.598 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 3.8 pm0 -56.08 -175.58 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.129 -0.982 . . . . 0.0 109.29 179.6 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.01 -44.8 94.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.148 -0.97 . . . . 0.0 109.073 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.82 59.94 1.65 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.386 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.66 142.66 26.17 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.1 m -59.36 121.36 11.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.331 -0.856 . . . . 0.0 109.351 -179.462 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -139.31 142.81 37.67 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.44 -0.788 . . . . 0.0 109.43 -179.371 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 5.3 t -70.15 110.05 4.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.158 -0.963 . . . . 0.0 109.047 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -66.46 -9.09 30.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.608 -0.682 . . . . 0.0 109.502 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -100.01 -39.79 7.96 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.398 -0.814 . . . . 0.0 111.157 -179.435 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' HG22 ' A' ' 17' ' ' THR . 9.4 p -132.04 4.45 4.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.84 -1.163 . . . . 0.0 111.578 -177.735 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 55.58 3.45 0.08 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.942 -1.099 . . . . 0.0 112.641 177.676 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.598 HG22 ' SG ' ' A' ' 15' ' ' CYS . 9.0 t -62.52 130.42 45.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.279 -1.513 . . . . 0.0 109.349 -179.145 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -98.36 -12.63 21.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.444 -0.785 . . . . 0.0 110.126 -178.759 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -99.56 118.46 36.17 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.824 -1.173 . . . . 0.0 109.222 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -164.05 143.18 6.16 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.099 -1.001 . . . . 0.0 110.174 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.72 -17.43 18.03 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.175 1.917 . . . . 0.0 112.423 178.766 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.472 HD23 ' NH2' ' A' ' 24' ' ' ARG . 19.7 tp -155.92 121.93 5.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.983 -1.073 . . . . 0.0 110.8 -178.59 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -81.1 127.63 32.85 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.588 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NH2' HD23 ' A' ' 22' ' ' LEU . 30.0 mmt180 -109.9 179.58 4.08 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.416 -0.803 . . . . 0.0 109.374 -179.335 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -136.67 151.67 49.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.534 -0.729 . . . . 0.0 110.014 -179.577 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 17.0 t-20 -88.63 141.28 30.07 Favored Pre-proline 0 N--CA 1.493 1.694 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -44.6 -12.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.199 1.266 . . . . 0.0 112.027 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -100.01 6.42 45.07 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.266 -0.896 . . . . 0.0 109.587 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 15.2 71.93 Favored Glycine 0 N--CA 1.491 2.313 0 O-C-N 121.369 -0.832 . . . . 0.0 111.475 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -91.36 114.75 62.75 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.69 -1.477 . . . . 0.0 108.599 179.063 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.28 133.64 24.87 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.716 1.611 . . . . 0.0 113.18 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.9 mt -128.36 158.62 37.74 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.144 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 29.7 p -86.11 -132.56 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.382 -1.449 . . . . 0.0 109.107 178.582 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.622 HD22 ' P ' ' C' ' 120' ' ' ' DA' . 2.3 p-10 -82.53 -85.09 0.11 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.0 112.21 -178.722 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.12 65.52 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.617 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 35.3 m -57.53 -53.01 63.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.041 -1.662 . . . . 0.0 109.895 -178.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.77 -43.45 66.87 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.202 -0.999 . . . . 0.0 111.143 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.42 -40.04 92.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.867 -1.373 . . . . 0.0 111.04 -179.157 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.64 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 t80 -78.22 -45.34 23.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.064 -1.022 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.41 -52.66 62.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.046 -1.034 . . . . 0.0 110.448 -177.535 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -61.44 -41.88 97.88 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.87 -1.144 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.81 -29.74 67.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.136 -0.978 . . . . 0.0 110.313 -177.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.64 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 57.1 m80 -92.03 -33.12 14.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.745 -1.222 . . . . 0.0 110.978 -178.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.34 14.27 63.97 Favored Glycine 0 N--CA 1.495 2.568 0 O-C-N 120.576 -1.327 . . . . 0.0 111.733 178.038 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.66 169.63 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.838 -1.389 . . . . 0.0 109.075 179.532 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -48.68 147.25 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.74 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.617 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -117.74 125.61 27.93 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.684 -0.635 . . . . 0.0 109.36 -179.761 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.44 110.27 3.07 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.138 1.226 . . . . 0.0 110.114 178.152 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.08 -11.7 6.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -59.76 -25.89 65.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.295 -0.878 . . . . 0.0 110.784 -179.692 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.21 -30.39 62.18 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.07 -1.019 . . . . 0.0 110.667 -178.515 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -57.27 155.8 8.38 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 109.888 -179.07 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.23 158.6 43.89 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.419 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.69 -2.96 58.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 108.666 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.2 t -112.2 129.3 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.723 -0.611 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.7 139.83 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.723 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -83.85 132.2 34.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.079 -1.013 . . . . 0.0 109.071 179.565 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -84.4 135.49 34.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.468 -0.77 . . . . 0.0 109.635 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 59' ' ' ARG . 6.2 mmt-85 -99.49 166.38 11.19 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.169 -0.957 . . . . 0.0 108.667 179.502 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -76.62 -157.19 0.08 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.493 -0.754 . . . . 0.0 109.788 -179.347 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -142.14 170.46 15.66 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -74.63 -46.28 39.33 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.095 -1.003 . . . . 0.0 109.064 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.2 p -160.28 156.38 26.32 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.155 -0.965 . . . . 0.0 109.463 179.272 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.24 156.02 33.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 109.016 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -101.9 120.04 39.75 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.082 -1.011 . . . . 0.0 109.654 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.198 179.79 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.797 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.777 0 O4'-C1'-N19 110.371 3.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.058 1 O4'-C1'-N19 111.003 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 0 C3'-C2'-C1' 106.792 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.507 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.332 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.573 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.117 4.146 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.898 5.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 1 O4'-C1'-N19 111.014 4.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.596 0 O4'-C1'-N19 110.616 3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.8 3.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.933 3.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.684 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.695 1 O4'-C1'-N19 111.018 4.023 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 0 O4'-C1'-N19 110.67 3.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.565 3.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.401 ' OP2' ' CD2' ' A' ' 39' ' ' PHE . . . . . . . . 0 C5'--C4' 1.53 2.395 0 O4'-C1'-N19 110.905 3.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.446 ' H62' HD13 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 111.386 4.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 C3'-C2'-C1' 107.112 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.095 0 O4'-C1'-N19 110.538 3.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.608 0 O4'-C1'-N19 110.668 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -60.88 -40.34 92.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.213 -0.929 . . . . 0.0 109.066 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 18.1 p30 -176.42 -28.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.838 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.535 ' N ' ' OD1' ' A' ' 3' ' ' ASN . . . 166.37 165.63 24.07 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -88.41 137.9 31.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.268 -1.136 . . . . 0.0 108.719 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.429 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 98.8 mt-30 -60.59 -57.09 14.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.985 -1.072 . . . . 0.0 109.613 -179.235 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 6' ' ' GLN . 79.7 m-20 -150.5 -78.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.028 -1.045 . . . . 0.0 109.009 179.815 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.14 174.5 37.74 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 179.713 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -46.9 115.45 1.28 Allowed 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.088 1.859 . . . . 0.0 111.655 179.72 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 m -64.89 118.99 9.85 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.1 -1.0 . . . . 0.0 109.877 -179.428 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.2 m -146.19 149.99 35.0 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.347 -0.846 . . . . 0.0 109.935 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.06 111.26 11.27 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.094 -1.004 . . . . 0.0 109.257 179.492 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 p -68.63 -9.39 49.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.714 . . . . 0.0 109.986 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.575 ' ND2' HD22 ' A' ' 32' ' ' LEU . 73.7 m-20 -95.93 -41.57 8.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 0.0 110.702 -179.049 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 17' ' ' THR . 16.0 p -127.33 4.49 6.31 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.968 -1.083 . . . . 0.0 111.23 -177.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 57.4 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.159 -0.963 . . . . 0.0 112.149 178.18 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.618 HG22 ' SG ' ' A' ' 15' ' ' CYS . 4.8 t -66.14 135.88 55.17 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.477 -1.39 . . . . 0.0 109.666 -179.386 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.575 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -103.46 -10.06 18.86 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.345 -0.847 . . . . 0.0 109.904 -179.758 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.8 m -100.99 121.2 41.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.221 -0.924 . . . . 0.0 108.771 179.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 t -163.54 145.03 7.38 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.086 -1.009 . . . . 0.0 109.843 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.98 -21.94 10.47 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.285 1.99 . . . . 0.0 112.426 179.456 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.512 HD23 HH21 ' A' ' 24' ' ' ARG . 17.7 tp -153.52 121.27 5.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.019 -1.051 . . . . 0.0 110.149 -178.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -82.63 128.16 34.07 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.719 -179.481 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.512 HH21 HD23 ' A' ' 22' ' ' LEU . 26.5 mmt180 -106.25 177.28 4.9 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.375 -0.828 . . . . 0.0 108.855 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -136.09 148.09 48.12 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.319 -0.863 . . . . 0.0 110.111 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' GLU . 15.8 t-20 -89.07 142.63 30.3 Favored Pre-proline 0 N--CA 1.492 1.657 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.422 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -4.77 0.15 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 CA-C-N 119.976 1.027 . . . . 0.0 110.916 179.26 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -98.3 2.25 47.95 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.368 -0.832 . . . . 0.0 109.203 179.493 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.24 9.73 75.87 Favored Glycine 0 N--CA 1.494 2.54 0 O-C-N 121.297 -0.877 . . . . 0.0 111.366 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -89.14 151.09 46.3 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 120.732 -1.451 . . . . 0.0 108.949 179.093 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -83.14 133.54 6.55 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.12 1.88 . . . . 0.0 112.944 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD22 ' ND2' ' A' ' 14' ' ' ASN . 88.0 mt -128.55 160.03 33.63 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.713 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.48 -168.32 2.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.646 -1.284 . . . . 0.0 107.678 177.532 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.663 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -72.18 -38.97 68.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.641 -1.287 . . . . 0.0 111.232 -179.63 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.663 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -69.9 -52.38 25.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.556 -1.34 . . . . 0.0 111.866 -179.077 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' HB3' HD22 ' A' ' 14' ' ' ASN . 78.9 m -61.51 -53.24 58.96 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.581 -1.324 . . . . 0.0 110.684 -178.55 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.98 -47.43 80.09 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.573 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 86.7 mt -69.57 -40.72 76.58 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.157 -1.202 . . . . 0.0 110.884 -179.797 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 56.0 t80 -78.77 -46.7 18.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.207 -0.933 . . . . 0.0 111.878 -178.633 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.73 -50.06 73.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.037 -1.04 . . . . 0.0 110.574 -177.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -60.01 -44.4 94.61 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.923 -1.111 . . . . 0.0 110.468 -179.392 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.08 -32.68 70.87 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.211 -0.931 . . . . 0.0 111.354 -177.863 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.2 m80 -91.27 -32.32 15.78 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.63 -1.293 . . . . 0.0 110.609 -178.338 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.67 14.32 67.18 Favored Glycine 0 N--CA 1.493 2.493 0 O-C-N 120.564 -1.335 . . . . 0.0 111.308 178.251 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 m -139.7 171.78 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.004 -1.291 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -47.03 148.71 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 109.648 -179.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.497 HH11 HD23 ' A' ' 49' ' ' LEU . 39.6 ttt-85 -111.26 130.09 23.38 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.755 -0.59 . . . . 0.0 109.635 -179.173 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -70.18 93.01 0.55 Allowed 'Trans proline' 0 C--N 1.315 -1.196 0 C-N-CA 120.961 1.107 . . . . 0.0 110.338 178.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.497 HD23 HH11 ' A' ' 47' ' ' ARG . 24.0 mt -59.39 -11.98 5.23 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.136 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.5 t -60.11 -20.2 57.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.607 -0.683 . . . . 0.0 109.484 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -79.83 -17.19 53.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.133 -0.979 . . . . 0.0 109.327 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -53.9 144.56 18.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 0.0 109.078 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.88 155.33 41.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.864 . . . . 0.0 109.242 178.91 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.88 -10.42 57.15 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -110.3 129.06 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.494 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -119.07 130.81 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.524 -0.735 . . . . 0.0 109.917 -179.326 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -71.52 123.58 22.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.168 -0.957 . . . . 0.0 108.554 179.667 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -90.57 138.25 31.71 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.839 179.816 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 59' ' ' ARG . 35.8 mtt-85 -100.76 170.69 8.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.377 -0.827 . . . . 0.0 109.317 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -70.56 -177.6 1.55 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.329 -0.857 . . . . 0.0 110.927 -178.156 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.481 HH11 ' HG2' ' A' ' 61' ' ' ARG . 32.8 mtt-85 -141.55 145.34 34.99 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.408 0.623 . . . . 0.0 109.768 -179.808 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -90.08 108.61 19.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 0.0 109.068 179.291 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.6 t -127.89 129.96 47.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.434 -0.791 . . . . 0.0 109.326 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.87 -175.48 5.14 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 108.946 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -55.62 -30.89 61.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.005 -1.059 . . . . 0.0 108.914 179.899 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 117.921 -1.037 . . . . 0.0 109.412 179.861 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.714 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.272 3.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.889 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.939 3.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 C3'-C2'-C1' 106.969 3.049 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.433 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-N19 110.615 3.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.395 4.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.903 1 O4'-C1'-N19 111.653 4.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 1 O4'-C1'-N19 111.027 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.799 0 O4'-C1'-N19 110.775 3.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.979 3.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 0 O4'-C1'-N19 110.752 3.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.58 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.397 3.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.061 0 O4'-C1'-N19 110.997 3.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C1'-N19 110.624 3.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.882 3.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.31 4.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.45 2.276 1 O4'-C1'-N19 111.227 4.284 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 0 O4'-C1'-N19 110.504 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.158 4.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.179 4.224 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.895 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-N19 110.58 3.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mmm . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.472 0.653 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.21 -43.93 98.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.546 -0.721 . . . . 0.0 109.787 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -152.32 169.1 23.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.196 -0.94 . . . . 0.0 109.153 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.35 -143.92 10.76 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -58.87 -24.17 61.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.437 -1.037 . . . . 0.0 109.235 -179.827 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -49.39 149.12 2.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.185 -0.947 . . . . 0.0 109.536 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.44 ' O ' ' O ' ' A' ' 8' ' ' GLY . 40.4 p-10 -59.99 -157.42 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.371 -0.831 . . . . 0.0 110.877 -178.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 7' ' ' ASN . . . -32.85 152.73 0.01 OUTLIER Glycine 0 N--CA 1.498 2.832 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.363 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.45 -94.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.764 2.309 . . . . 0.0 113.7 -179.431 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.0 m -61.92 121.34 12.7 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.325 -0.859 . . . . 0.0 111.711 -177.567 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 m -147.15 133.67 19.77 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.554 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.13 108.94 2.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.617 -1.302 . . . . 0.0 109.472 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.2 p -68.14 -8.8 41.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.478 -0.764 . . . . 0.0 109.39 179.472 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.549 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.1 m120 -96.16 -40.29 9.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.286 -0.884 . . . . 0.0 110.852 -179.07 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.627 ' SG ' HG22 ' A' ' 17' ' ' THR . 13.5 p -133.49 11.68 4.11 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.704 -1.247 . . . . 0.0 111.354 -178.483 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 54.22 1.84 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.887 -1.133 . . . . 0.0 112.89 177.8 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.627 HG22 ' SG ' ' A' ' 15' ' ' CYS . 13.6 t -62.46 131.37 48.94 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.073 -1.642 . . . . 0.0 109.61 -178.814 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -102.18 -11.25 18.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.453 -0.779 . . . . 0.0 109.829 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -104.75 123.3 47.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.402 -0.811 . . . . 0.0 109.25 -179.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.38 149.71 8.82 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.071 -1.018 . . . . 0.0 109.722 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.37 -21.79 10.05 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.28 1.987 . . . . 0.0 112.397 179.2 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 HH21 ' A' ' 24' ' ' ARG . 52.8 tp -152.28 120.26 6.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -178.34 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -81.47 128.53 33.98 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.516 HH21 HD23 ' A' ' 22' ' ' LEU . 26.6 mmt180 -103.98 170.89 7.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.51 -0.744 . . . . 0.0 109.156 -178.857 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -129.95 146.99 51.66 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.322 -0.862 . . . . 0.0 109.226 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.59 HD22 ' H ' ' A' ' 28' ' ' GLU . 2.2 t30 -85.72 139.94 35.5 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 0.0 109.087 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -44.71 -15.81 0.1 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.576 1.517 . . . . 0.0 112.209 179.184 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' H ' HD22 ' A' ' 26' ' ' ASN . 47.2 mt-10 -100.28 9.99 41.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.361 -0.837 . . . . 0.0 110.242 -179.46 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 12.89 74.33 Favored Glycine 0 N--CA 1.493 2.475 0 O-C-N 121.263 -0.898 . . . . 0.0 111.596 178.895 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -92.65 140.3 23.82 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 120.544 -1.562 . . . . 0.0 108.652 179.037 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.19 140.48 30.95 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.157 1.905 . . . . 0.0 113.904 -179.362 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.1 mt -135.21 159.96 39.89 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ASN . 31.2 p -87.61 -135.45 0.09 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.254 -1.529 . . . . 0.0 109.109 178.462 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.65 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 1.4 p-10 -83.73 -76.93 0.27 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.312 -0.867 . . . . 0.0 111.821 -179.249 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.65 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.72 -30.42 71.4 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.215 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.2 m -58.71 -57.95 10.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 119.868 -1.77 . . . . 0.0 110.492 -178.43 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.7 -41.43 97.47 Favored Glycine 0 N--CA 1.492 2.398 0 C-N-CA 119.63 -1.271 . . . . 0.0 110.189 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 32.7 mt -69.5 -41.12 76.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.992 -1.299 . . . . 0.0 110.899 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.642 ' CZ ' ' CD2' ' A' ' 43' ' ' HIS . 30.0 t80 -80.1 -45.11 18.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 110.9 -179.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.59 -53.51 56.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.385 -0.822 . . . . 0.0 110.152 -177.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.02 -46.6 88.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.063 -1.023 . . . . 0.0 110.811 -179.563 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.95 -33.25 71.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.102 -0.999 . . . . 0.0 111.076 -178.305 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.642 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 67.2 m80 -89.76 -29.94 18.35 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.809 -1.182 . . . . 0.0 110.861 -178.21 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.28 13.61 73.64 Favored Glycine 0 N--CA 1.491 2.366 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.566 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -141.54 143.5 27.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.992 -1.299 . . . . 0.0 109.573 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 27.3 m -53.55 117.26 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.837 . . . . 0.0 109.897 -179.241 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -70.07 137.13 87.07 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.507 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -55.92 106.17 0.19 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 N-CA-C 109.028 -1.182 . . . . 0.0 109.028 178.214 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 14' ' ' ASN . 47.1 mt -58.53 -9.8 1.85 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.517 -0.74 . . . . 0.0 109.594 -178.584 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.7 m -61.94 -14.15 31.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.231 -0.918 . . . . 0.0 110.007 179.827 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.71 -9.12 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 109.27 -179.506 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -51.26 137.55 22.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.051 -1.031 . . . . 0.0 110.154 -178.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.23 149.96 35.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.22 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -87.62 -8.59 56.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.491 -0.756 . . . . 0.0 109.643 -179.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.46 129.19 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.466 -0.771 . . . . 0.0 109.198 -179.645 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.5 mt -117.93 137.17 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.51 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -71.27 121.45 18.46 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.799 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -84.34 130.31 34.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.247 -0.908 . . . . 0.0 109.482 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' HG3' HH11 ' A' ' 59' ' ' ARG . 27.1 mmm-85 -96.57 167.29 11.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.947 -1.096 . . . . 0.0 109.07 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -77.36 -168.65 1.19 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.921 -178.522 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -140.71 141.17 34.96 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.481 -0.762 . . . . 0.0 109.508 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.78 136.84 32.79 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.262 -0.899 . . . . 0.0 109.967 179.617 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 p -130.1 140.16 50.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.587 -0.696 . . . . 0.0 109.291 179.404 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.96 129.96 51.57 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.646 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -92.66 124.58 36.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.107 -0.996 . . . . 0.0 109.557 -179.608 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.321 -179.665 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.844 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.458 0 O4'-C1'-N19 110.269 3.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.605 4.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.055 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 C3'-C2'-C1' 106.917 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.448 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.543 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.113 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.858 1 O4'-C1'-N19 111.441 4.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.098 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.544 3.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.662 3.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 111.233 4.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.542 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.882 3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O4'-C1'-N19 111.041 4.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.961 3.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.527 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.543 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.061 0 O4'-C1'-N19 110.673 3.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.097 1 O4'-C1'-N19 111.608 4.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 1 O4'-C1'-N19 111.732 4.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.09 4.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.647 3.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.985 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tpt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.3 tttp 51.97 -102.66 0.13 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.107 -0.995 . . . . 0.0 110.07 179.473 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -94.94 124.35 38.94 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.866 -1.146 . . . . 0.0 109.309 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.4 -173.05 3.97 Favored Glycine 0 N--CA 1.487 2.054 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.426 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -172.04 50.19 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.326 -1.102 . . . . 0.0 108.294 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.478 ' HG3' ' H ' ' A' ' 8' ' ' GLY . 51.9 tp60 -140.32 132.65 28.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.433 -0.792 . . . . 0.0 108.944 -179.409 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -99.47 5.28 46.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.282 -0.886 . . . . 0.0 109.111 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.478 ' H ' ' HG3' ' A' ' 6' ' ' GLN . . . -72.74 159.52 53.66 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.438 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.68 -153.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.584 2.189 . . . . 0.0 111.345 179.437 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 m -56.04 124.57 18.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.94 -1.1 . . . . 0.0 109.36 -179.327 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.2 m -140.22 137.65 34.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.453 -0.779 . . . . 0.0 109.528 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.2 t -67.4 110.76 3.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 0.0 109.569 179.73 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.9 p -69.04 -9.52 52.94 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.745 -0.597 . . . . 0.0 109.701 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.648 ' ND2' HD22 ' A' ' 32' ' ' LEU . 66.5 m-20 -94.86 -42.42 8.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.223 -0.923 . . . . 0.0 110.226 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 17' ' ' THR . 14.2 p -130.36 4.73 4.75 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.964 -1.085 . . . . 0.0 111.236 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 57.93 3.98 0.26 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.986 . . . . 0.0 112.399 177.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.641 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.9 t -64.67 132.42 49.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.165 -1.585 . . . . 0.0 110.111 -178.669 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -99.51 -9.9 22.76 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.42 -0.8 . . . . 0.0 109.449 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.6 m -100.88 118.51 37.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.202 -0.936 . . . . 0.0 108.978 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -163.11 141.33 6.32 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.972 -1.08 . . . . 0.0 110.07 -179.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.99 -20.64 19.19 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.054 1.836 . . . . 0.0 112.554 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' NH2' ' A' ' 24' ' ' ARG . 53.1 tp -154.92 122.42 5.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.841 -1.162 . . . . 0.0 109.978 -178.855 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.12 128.67 33.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.549 -0.719 . . . . 0.0 109.126 -179.465 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.603 ' NH2' HD23 ' A' ' 22' ' ' LEU . 29.6 mmt180 -109.12 176.8 4.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.611 -0.681 . . . . 0.0 109.75 -178.549 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.59 152.35 49.31 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -0.809 . . . . 0.0 110.075 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.9 t-20 -89.72 142.33 29.14 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.588 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -45.24 -10.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.33 1.353 . . . . 0.0 111.547 178.091 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.9 mt-10 -98.43 6.03 47.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.307 -0.871 . . . . 0.0 109.786 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.42 11.15 80.85 Favored Glycine 0 N--CA 1.492 2.388 0 O-C-N 121.267 -0.896 . . . . 0.0 111.174 179.652 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -87.13 145.23 37.64 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 120.673 -1.486 . . . . 0.0 108.386 178.902 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.08 132.51 9.46 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.093 1.862 . . . . 0.0 112.683 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 ' ND2' ' A' ' 14' ' ' ASN . 83.3 mt -128.14 160.68 31.27 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.101 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.6 p -82.97 -143.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.34 -1.475 . . . . 0.0 108.531 178.577 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 12.4 p-10 -80.75 -69.87 0.57 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.059 -1.025 . . . . 0.0 111.742 -179.337 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -62.71 -36.1 81.86 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.797 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.5 m -57.65 -56.29 23.78 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 119.93 -1.731 . . . . 0.0 110.341 -178.538 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.72 -44.25 97.11 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 62.5 mt -67.74 -40.22 84.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -1.176 . . . . 0.0 109.861 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 43' ' ' HIS . 91.0 t80 -74.57 -52.19 12.5 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.849 -0.532 . . . . 0.0 111.562 -178.868 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.43 -50.27 74.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.959 -1.088 . . . . 0.0 109.927 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.93 -47.88 83.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.006 -1.059 . . . . 0.0 110.811 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.1 -33.59 73.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.304 -0.873 . . . . 0.0 111.324 -177.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.589 ' CE1' ' CD1' ' A' ' 39' ' ' PHE . 65.3 m80 -88.95 -32.06 17.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.626 -1.296 . . . . 0.0 111.021 -178.511 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.72 10.55 8.48 Favored Glycine 0 N--CA 1.495 2.573 0 O-C-N 120.695 -1.253 . . . . 0.0 111.406 178.486 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.02 140.67 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.904 -1.351 . . . . 0.0 109.963 179.528 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -59.81 138.91 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.615 -0.678 . . . . 0.0 109.689 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 47' ' ' ARG . 1.1 ttt-85 -153.5 137.01 10.26 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.164 -0.96 . . . . 0.0 108.503 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 16.1 Cg_exo -30.64 111.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 122.757 2.304 . . . . 0.0 113.667 -179.687 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.89 -8.95 3.49 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.5 p -59.38 -11.06 3.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.402 -0.812 . . . . 0.0 109.563 -179.448 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.2 mt -70.57 -30.08 66.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 0.0 108.584 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.503 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 8.9 tmtm? -58.48 158.47 7.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 109.62 179.814 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.503 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -142.29 147.48 36.47 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.089 -1.007 . . . . 0.0 110.04 178.872 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -89.58 -4.16 57.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.539 -0.726 . . . . 0.0 109.605 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.02 121.65 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.0 mt -114.88 130.02 70.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 -179.368 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -81.73 137.78 35.32 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.225 -0.922 . . . . 0.0 108.634 179.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -81.85 128.79 34.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.779 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -101.45 170.87 7.93 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.332 -0.855 . . . . 0.0 110.29 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.11 172.78 4.27 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.961 0.886 . . . . 0.0 111.283 -177.163 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -149.1 165.49 31.58 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.52 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -89.27 100.64 13.39 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.092 -1.005 . . . . 0.0 109.104 179.382 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 p -104.14 0.77 29.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.486 -0.759 . . . . 0.0 110.212 -179.464 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 149.06 39.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.126 -0.984 . . . . 0.0 110.535 -178.905 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' SER . 36.6 p-10 -70.7 -21.46 62.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.48 -0.763 . . . . 0.0 109.935 179.714 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ASN . 52.0 p . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.386 -179.468 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.753 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.257 3.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 0 O4'-C1'-N19 110.469 3.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 111.226 4.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 C3'-C2'-C1' 106.834 2.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.454 ' OP2' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.424 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.576 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.193 0 O4'-C1'-N19 110.716 3.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.372 1 O4'-C1'-N19 111.859 5.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.015 1 O4'-C1'-N19 111.177 4.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.278 0 O4'-C1'-N19 110.773 3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.341 1 O4'-C1'-N19 111.143 4.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.421 0 O4'-C1'-N19 110.598 3.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.555 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.196 4.245 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 1 O4'-C1'-N19 111.252 4.315 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.088 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.425 1 O4'-C1'-N19 111.425 4.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.493 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.538 3.435 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 1 O4'-C1'-N19 111.568 4.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.576 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.41 0 O4'-C1'-N19 110.779 3.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 0 O4'-C1'-N19 110.413 3.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 C3'-C2'-C1' 107.115 3.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.967 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-N19 110.385 3.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.994 0 O4'-C1'-N19 110.548 3.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.344 0.592 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -68.14 -40.22 82.46 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.316 -0.865 . . . . 0.0 110.054 -179.578 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.43 160.83 23.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.432 -0.793 . . . . 0.0 109.551 179.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.71 -28.22 6.26 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.021 -1.631 . . . . 0.0 109.021 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.55 128.41 36.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -1.139 . . . . 0.0 109.073 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.73 -45.37 77.97 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.884 -1.135 . . . . 0.0 110.213 -178.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -63.68 132.36 50.82 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.02 -1.05 . . . . 0.0 109.929 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.463 ' H ' ' HD2' ' A' ' 9' ' ' PRO . . . -153.76 -60.09 0.01 OUTLIER Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' H ' ' A' ' 8' ' ' GLY . 72.4 Cg_exo -49.75 -172.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.678 2.252 . . . . 0.0 112.771 -179.182 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.1 m -65.83 118.61 9.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.378 -0.826 . . . . 0.0 110.127 -178.848 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -141.68 147.14 37.02 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.333 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 6.0 t -72.84 110.0 6.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.024 -1.048 . . . . 0.0 108.398 179.442 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.406 ' C ' HD22 ' A' ' 14' ' ' ASN . 31.0 p -67.9 -9.33 44.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.649 -0.657 . . . . 0.0 110.098 -179.49 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.542 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.2 m120 -98.15 -40.13 8.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.824 . . . . 0.0 110.996 -179.434 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.604 ' SG ' HG22 ' A' ' 17' ' ' THR . 12.1 p -129.1 4.81 5.3 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.787 -1.196 . . . . 0.0 111.522 -177.727 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 57.78 4.27 0.26 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.209 -0.932 . . . . 0.0 112.579 177.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.604 HG22 ' SG ' ' A' ' 15' ' ' CYS . 10.0 t -65.82 128.14 34.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.285 -1.51 . . . . 0.0 109.638 -178.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -98.27 -15.35 19.84 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.51 -0.744 . . . . 0.0 109.369 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -100.52 122.48 43.29 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.225 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 t -164.8 149.47 8.15 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.167 -0.958 . . . . 0.0 109.372 -179.553 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.47 -21.25 10.34 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.993 1.795 . . . . 0.0 112.828 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' NH2' ' A' ' 24' ' ' ARG . 20.4 tp -155.96 125.69 6.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.98 -1.075 . . . . 0.0 110.063 -179.261 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -84.79 129.62 34.79 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.647 0.737 . . . . 0.0 109.679 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' NH2' HD23 ' A' ' 22' ' ' LEU . 28.8 mmt180 -109.58 176.92 4.9 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.898 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -140.78 148.2 40.27 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.07 -1.019 . . . . 0.0 109.888 -179.764 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.558 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.1 t30 -87.12 142.67 33.9 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.405 -0.809 . . . . 0.0 108.938 179.852 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -45.27 -8.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.472 1.448 . . . . 0.0 112.265 178.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' ASN . 95.4 mt-10 -92.66 4.99 52.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.221 -0.924 . . . . 0.0 108.82 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 10.2 85.82 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.05 146.35 38.28 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.331 -1.1 . . . . 0.0 108.708 179.355 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.34 138.85 14.28 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.511 1.474 . . . . 0.0 114.084 -178.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.3 mt -131.74 160.05 36.65 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.9 p -83.92 -143.68 0.08 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.24 -1.537 . . . . 0.0 108.981 178.343 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' CG ' ' H ' ' A' ' 35' ' ' ALA . 35.4 p-10 -80.2 -69.16 0.61 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 0.0 110.983 -179.518 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -61.35 -39.58 91.11 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -177.514 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.8 m -56.0 -54.38 45.54 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 119.923 -1.736 . . . . 0.0 110.053 -178.383 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.31 -43.66 98.76 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.523 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.425 ' CD2' ' H62' ' B' ' 106' ' ' ' DA' . 49.7 mt -68.0 -39.39 83.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.023 -1.281 . . . . 0.0 109.984 179.793 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 47.4 t80 -78.94 -49.87 12.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.352 -0.843 . . . . 0.0 111.366 -178.624 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.81 -49.98 75.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.219 -0.926 . . . . 0.0 110.451 -177.773 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -59.82 -49.58 77.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.088 -1.007 . . . . 0.0 110.295 -179.296 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.97 -34.1 72.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.106 -0.996 . . . . 0.0 111.435 -178.762 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.6 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -87.84 -37.05 16.86 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.439 -1.413 . . . . 0.0 110.037 -178.357 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.86 10.18 12.81 Favored Glycine 0 N--CA 1.488 2.152 0 C-N-CA 120.052 -1.07 . . . . 0.0 111.098 178.294 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.29 141.9 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.93 -1.335 . . . . 0.0 110.084 179.449 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.69 144.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-O 121.517 0.675 . . . . 0.0 110.139 -179.56 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' PRO . 13.8 tpp180 -154.7 133.25 6.99 Favored Pre-proline 0 N--CA 1.491 1.605 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -179.824 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 33.2 Cg_exo -33.88 105.37 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.334 2.023 . . . . 0.0 112.444 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.25 -11.59 10.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 86.5 p -59.33 -10.01 2.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.471 -0.768 . . . . 0.0 110.059 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.5 mt -70.8 -39.62 73.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.092 -1.005 . . . . 0.0 108.691 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -54.16 170.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.214 -0.928 . . . . 0.0 109.338 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -147.49 157.3 43.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.132 -0.98 . . . . 0.0 110.22 179.04 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -87.11 -0.84 57.3 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.715 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.34 129.95 68.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.311 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -124.41 134.88 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 109.537 -179.022 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -83.76 139.52 32.67 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.082 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -83.51 130.84 35.02 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.932 -1.105 . . . . 0.0 109.577 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.41 ' NH1' ' HG3' ' A' ' 59' ' ' ARG . 19.0 mmm-85 -98.07 166.56 11.37 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.813 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.47 -169.14 1.13 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.183 -0.948 . . . . 0.0 111.593 -178.134 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HG3' HH11 ' A' ' 61' ' ' ARG . 31.6 mtm-85 -132.6 151.75 51.85 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.335 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -153.58 156.56 38.22 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.096 -1.002 . . . . 0.0 109.191 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.3 p -116.94 153.94 31.72 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.652 -0.655 . . . . 0.0 109.478 -179.689 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.538 ' O ' ' ND2' ' A' ' 65' ' ' ASN . . . -94.93 92.37 6.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 0.0 108.958 179.308 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 64' ' ' ALA . 14.8 m120 -143.36 152.02 41.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.298 -0.876 . . . . 0.0 109.363 -179.754 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.373 179.415 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_