data_2a9x_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 2a9x _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' 1' 1 ' 1' ' ' ARG . . . . . 0.753 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 121.298 0.571 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 2' ' ' VAL . . . . . 0.627 ' C ' HH22 ' 1' ' 1' ' ' ARG . 10.7 t -145.83 117.05 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.319 -0.863 . . . . 0.0 108.783 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 3' ' ' ARG . . . . . 0.753 ' N ' HH22 ' 1' ' 1' ' ' ARG . 0.4 OUTLIER -64.87 1.18 0.95 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.039 -1.038 . . . . 0.0 109.317 -179.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 4' ' ' THR . . . . . 0.657 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 20.4 m 26.38 71.35 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 109.42 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' 1' ' 7' ' ' LYS . 5.8 tpt180 -37.97 149.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.19 -0.944 . . . . 0.0 109.596 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . -45.23 -18.2 0.15 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 7' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 1.8 tppt? -141.18 -43.3 0.38 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.152 -1.205 . . . . 0.0 109.298 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . 0.431 ' N ' ' HB3' ' 1' ' 5' ' ' ARG . 0.0 OUTLIER -92.08 -159.01 0.62 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.495 -1.378 . . . . 0.0 109.934 -178.497 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 9' ' ' ARG . . . . . 0.476 ' O ' ' CD1' ' 1' ' 10' ' ' ILE . 30.6 ttm180 -137.84 142.49 40.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.85 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 10' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' 1' ' 9' ' ' ARG . 3.4 mm -139.09 95.68 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.19 -0.944 . . . . 0.0 109.391 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -75.53 137.14 40.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.11 -0.994 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 12' ' ' VAL . . . . . 0.639 ' CG2' ' NH1' ' 1' ' 3' ' ' ARG . 86.9 t -141.42 82.99 13.81 Favored Pre-proline 0 N--CA 1.494 1.748 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 52.6 Cg_exo 77.65 -122.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.598 2.199 . . . . 0.0 110.393 -176.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.299 -2.062 0 C-N-CA 123.184 2.59 . . . . 0.0 110.936 178.866 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' 1' 1 ' 1' ' ' ARG . . . . . 0.448 HH11 HG23 ' 1' ' 12' ' ' VAL . 4.2 mtp180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.246 0.546 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 36.8 t -150.75 60.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 0.0 108.779 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 3' ' ' ARG . . . . . 0.49 ' HG2' ' NH1' ' 1' ' 3' ' ' ARG . 0.2 OUTLIER -47.42 142.96 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.026 -1.046 . . . . 0.0 109.32 -178.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 4' ' ' THR . . . . . 0.741 ' O ' ' OG1' ' 1' ' 4' ' ' THR . 0.4 OUTLIER -124.97 59.36 1.23 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 0.0 109.402 179.541 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . 0.603 ' O ' ' N ' ' 1' ' 7' ' ' LYS . 50.9 mtt180 -40.73 101.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.0 109.561 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 6' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 51.41 -83.57 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 7' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 27.4 mttt -116.64 -35.89 4.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.152 -1.205 . . . . 0.0 109.223 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' 1' ' 8' ' ' ARG . 5.6 mmt85 -53.45 164.42 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.982 -1.074 . . . . 0.0 109.931 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -141.98 97.46 3.14 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.224 -0.923 . . . . 0.0 109.823 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mm -90.51 142.94 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 109.417 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.72 125.59 36.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 12' ' ' VAL . . . . . 0.448 HG23 HH11 ' 1' ' 1' ' ' ARG . 0.2 OUTLIER -142.91 100.77 5.41 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.293 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 51.5 Cg_exo 77.15 -126.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.602 2.202 . . . . 0.0 110.36 -175.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo . . . . . 0 C--N 1.298 -2.107 0 C-N-CA 123.224 2.616 . . . . 0.0 110.889 179.045 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' 1' 1 ' 1' ' ' ARG . . . . . 0.882 ' NH1' HH12 ' 1' ' 3' ' ' ARG . 2.3 tmm_? . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.229 0.538 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.02 135.82 62.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.852 . . . . 0.0 108.847 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 3' ' ' ARG . . . . . 0.882 HH12 ' NH1' ' 1' ' 1' ' ' ARG . 66.5 mtm-85 -93.38 93.98 8.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.079 -1.013 . . . . 0.0 109.352 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 4' ' ' THR . . . . . 0.686 ' CG2' ' HE ' ' 1' ' 9' ' ' ARG . 3.1 p -63.62 54.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.367 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . 0.601 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 6.0 ttt-85 -40.45 119.5 1.09 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.6 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . 42.13 -92.11 0.01 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 7' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 47.8 mttp -122.55 -6.84 8.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -1.188 . . . . 0.0 109.297 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' 1' ' 8' ' ' ARG . 18.0 mmt-85 -82.95 176.33 9.36 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.743 -1.223 . . . . 0.0 110.011 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 9' ' ' ARG . . . . . 0.686 ' HE ' ' CG2' ' 1' ' 4' ' ' THR . 13.4 mmt85 -140.46 112.38 7.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.165 -0.96 . . . . 0.0 109.8 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 mm -110.33 86.21 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.36 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -54.73 141.84 30.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.198 -0.939 . . . . 0.0 110.059 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 12' ' ' VAL . . . . . 0.673 ' HB ' HH11 ' 1' ' 1' ' ' ARG . 54.6 t -149.23 81.06 7.58 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 36.0 Cg_exo 73.67 -121.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.568 2.179 . . . . 0.0 110.301 -177.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.263 2.642 . . . . 0.0 110.976 178.739 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' 1' 1 ' 1' ' ' ARG . . . . . 0.585 ' O ' ' N ' ' 1' ' 12' ' ' VAL . 7.0 mtm-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.237 0.542 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 2' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' 1' ' 4' ' ' THR . 18.2 m -138.25 91.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.314 -0.866 . . . . 0.0 108.795 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 3' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' 1' ' 5' ' ' ARG . 28.4 mtm180 -55.51 81.3 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.071 -1.018 . . . . 0.0 109.332 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 4' ' ' THR . . . . . 0.611 ' N ' ' O ' ' 1' ' 2' ' ' VAL . 42.5 m -60.9 81.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 0.0 109.382 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . 0.501 ' O ' ' O ' ' 1' ' 4' ' ' THR . 4.4 mmt85 -39.34 -92.12 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.627 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.6 -62.32 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -100.93 7.93 43.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.091 -1.241 . . . . 0.0 109.28 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -135.64 -161.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.899 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 9' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' 1' ' 9' ' ' ARG . 26.6 ttm-85 -165.1 112.63 1.0 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.845 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 10' ' ' ILE . . . . . 0.417 HG22 ' H ' ' 1' ' 11' ' ' ARG . 6.0 mm -94.43 164.5 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.14 -0.975 . . . . 0.0 109.321 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 11' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' 1' ' 11' ' ' ARG . 7.4 tpp85 -120.57 123.23 42.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 0.0 110.009 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 12' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' 1' ' 1' ' ' ARG . 59.8 t -125.2 84.65 59.23 Favored Pre-proline 0 N--CA 1.494 1.735 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 13' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.573 30.8 Cg_endo 48.88 -102.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.542 2.162 . . . . 0.0 110.328 -177.508 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 1' 1 ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' 1' ' 13' ' ' PRO . 79.1 Cg_endo . . . . . 0 C--N 1.297 -2.134 0 C-N-CA 123.197 2.598 . . . . 0.0 110.991 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 1' ' ' ARG . . . . . 0.776 HH22 ' CA ' ' 1' ' 3' ' ' ARG . 1.1 ptm180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.302 0.572 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 2' ' ' VAL . . . . . 0.408 ' C ' HH22 ' 1' ' 1' ' ' ARG . 0.7 OUTLIER -126.82 114.17 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.284 -0.885 . . . . 0.0 108.808 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 3' ' ' ARG . . . . . 0.776 ' CA ' HH22 ' 1' ' 1' ' ' ARG . 4.2 ttp180 -101.9 41.9 1.18 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.099 -1.001 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 4' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' 1' ' 8' ' ' ARG . 6.6 t -43.1 126.52 4.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -69.44 -64.81 0.81 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.563 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.36 0.02 OUTLIER Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -99.9 -12.04 20.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -1.207 . . . . 0.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . 0.47 ' O ' ' OG1' ' 1' ' 4' ' ' THR . 2.2 mmm180 -101.0 -158.3 0.66 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.431 -1.418 . . . . 0.0 109.966 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 9' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' 1' ' 10' ' ' ILE . 22.7 ttt180 -146.39 147.81 31.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.79 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 10' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' 1' ' 9' ' ' ARG . 3.6 mm -139.27 72.89 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.153 -0.967 . . . . 0.0 109.362 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -59.86 134.87 57.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.221 -0.924 . . . . 0.0 110.044 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 12' ' ' VAL . . . . . 0.44 ' HB ' HH11 ' 1' ' 1' ' ' ARG . 61.5 t -138.86 87.16 14.69 Favored Pre-proline 0 N--CA 1.493 1.724 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 13' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.572 51.9 Cg_exo 80.63 -124.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.52 2.147 . . . . 0.0 110.326 -175.738 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' 1' ' 13' ' ' PRO . 73.8 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.232 2.621 . . . . 0.0 110.937 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 1' ' ' ARG . . . . . 0.635 ' CG ' ' H ' ' 1' ' 2' ' ' VAL . 11.4 ttp-105 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.304 0.573 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 2' ' ' VAL . . . . . 0.635 ' H ' ' CG ' ' 1' ' 1' ' ' ARG . 5.4 p -171.56 84.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.271 -0.893 . . . . 0.0 108.875 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 3' ' ' ARG . . . . . 0.699 ' CD ' ' H ' ' 1' ' 3' ' ' ARG . 0.0 OUTLIER -79.86 140.66 36.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.123 -0.986 . . . . 0.0 109.338 -178.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 4' ' ' THR . . . . . 0.494 ' C ' ' H ' ' 1' ' 6' ' ' GLY . 3.2 m -95.72 107.17 19.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.277 -0.889 . . . . 0.0 109.42 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -70.79 10.77 0.46 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.991 . . . . 0.0 109.614 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 6' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' 1' ' 4' ' ' THR . . . 80.25 -85.71 1.31 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -62.39 -33.89 75.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.088 -1.242 . . . . 0.0 109.274 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . 0.747 HH11 ' CG ' ' 1' ' 8' ' ' ARG . 0.0 OUTLIER -134.92 -152.24 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.414 -0.804 . . . . 0.0 109.995 179.559 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 9' ' ' ARG . . . . . 0.762 ' CG ' ' H ' ' 1' ' 10' ' ' ILE . 6.5 ttp180 -160.07 -175.32 5.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.197 -0.939 . . . . 0.0 109.905 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 10' ' ' ILE . . . . . 0.762 ' H ' ' CG ' ' 1' ' 9' ' ' ARG . 0.2 OUTLIER -177.11 164.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.907 . . . . 0.0 109.329 179.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 11' ' ' ARG . . . . . 0.603 ' C ' HH12 ' 1' ' 3' ' ' ARG . 10.1 mmm180 -128.72 149.38 50.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 110.018 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 12' ' ' VAL . . . . . 0.578 ' CG1' ' NH1' ' 1' ' 3' ' ' ARG . 3.4 p -147.8 85.68 6.48 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 5.0 Cg_exo 82.58 -127.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.516 2.144 . . . . 0.0 110.326 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo . . . . . 0 C--N 1.297 -2.143 0 C-N-CA 123.211 2.608 . . . . 0.0 110.957 178.588 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' 1' 1 ' 1' ' ' ARG . . . . . 0.616 ' NH1' ' CG1' ' 1' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.239 0.542 . . . . 0.0 109.611 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 2' ' ' VAL . . . . . 0.559 ' CG1' ' HE ' ' 1' ' 9' ' ' ARG . 0.8 OUTLIER -81.45 110.98 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.302 -0.874 . . . . 0.0 108.817 178.668 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 3' ' ' ARG . . . . . 0.46 HH11 ' HD2' ' 1' ' 3' ' ' ARG . 0.0 OUTLIER -79.61 102.03 8.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.038 -1.039 . . . . 0.0 109.283 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 4' ' ' THR . . . . . 0.634 ' HG1' ' CZ ' ' 1' ' 9' ' ' ARG . 15.3 m -69.16 85.02 0.36 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -168.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.098 -1.001 . . . . 0.0 109.605 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 6' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' 1' ' 7' ' ' LYS . . . -85.84 103.38 2.75 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 7' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' 1' ' 6' ' ' GLY . 0.4 OUTLIER 78.33 4.89 2.67 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.153 -1.204 . . . . 0.0 109.315 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . 0.411 ' HG2' HH11 ' 1' ' 8' ' ' ARG . 9.9 mmt-85 -139.26 -162.84 1.38 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.546 -0.722 . . . . 0.0 109.91 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 9' ' ' ARG . . . . . 0.634 ' CZ ' ' HG1' ' 1' ' 4' ' ' THR . 4.1 ttt180 -161.29 106.91 1.36 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.15 -0.969 . . . . 0.0 109.803 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mm -93.49 171.51 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.177 -0.952 . . . . 0.0 109.32 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -139.12 139.9 37.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.151 -0.968 . . . . 0.0 110.05 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 12' ' ' VAL . . . . . 0.616 ' CG1' ' NH1' ' 1' ' 1' ' ' ARG . 12.5 t -149.8 82.76 6.53 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 64.2 Cg_exo 84.93 -128.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.535 2.156 . . . . 0.0 110.298 -176.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.298 -2.103 0 C-N-CA 123.146 2.564 . . . . 0.0 110.907 -179.679 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' 1' 1 ' 1' ' ' ARG . . . . . 0.941 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.29 0.567 . . . . 0.0 109.56 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.92 116.12 51.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.282 -0.886 . . . . 0.0 108.828 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 3' ' ' ARG . . . . . 0.941 ' N ' HH22 ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -88.15 64.77 7.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.355 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 4' ' ' THR . . . . . 0.408 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 93.9 m -45.09 89.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.173 -0.954 . . . . 0.0 109.431 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 23.6 ttt-85 -64.8 -153.42 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.224 -0.923 . . . . 0.0 109.59 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 6' ' ' GLY . . . . . 0.44 ' H ' ' HG2' ' 1' ' 5' ' ' ARG . . . -58.93 -100.63 0.01 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -91.7 -1.88 57.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.122 -1.223 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -97.92 -155.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.337 -0.852 . . . . 0.0 109.961 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -176.88 91.87 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 mp -96.07 150.83 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.356 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -121.18 156.15 33.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.111 -0.993 . . . . 0.0 110.044 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 12' ' ' VAL . . . . . 0.464 HG21 HH12 ' 1' ' 3' ' ' ARG . 20.9 t -152.22 86.79 4.36 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.57 75.6 Cg_exo 84.96 -131.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.549 2.166 . . . . 0.0 110.275 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.297 -2.133 0 C-N-CA 123.236 2.624 . . . . 0.0 110.935 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' 1' 1 ' 1' ' ' ARG . . . . . 0.608 ' CG ' ' O ' ' 1' ' 1' ' ' ARG . 5.7 ptm180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.321 0.581 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 t -74.27 134.06 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.294 -0.879 . . . . 0.0 108.823 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 3' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -145.68 53.37 1.17 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.259 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 4' ' ' THR . . . . . 0.457 ' HB ' HH22 ' 1' ' 11' ' ' ARG . 3.7 t -52.01 141.82 17.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 0.0 109.433 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -84.03 21.42 1.35 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.125 -0.984 . . . . 0.0 109.538 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.56 -75.3 0.56 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -94.81 -25.92 16.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.176 -1.191 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . 0.486 ' HG3' HH11 ' 1' ' 8' ' ' ARG . 6.9 mtt85 -94.73 -145.88 0.26 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.986 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 9' ' ' ARG . . . . . 0.476 ' H ' ' HB3' ' 1' ' 8' ' ' ARG . 42.8 ttt-85 -165.73 100.76 0.68 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.165 -0.959 . . . . 0.0 109.834 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 10' ' ' ILE . . . . . 0.575 ' O ' ' NE ' ' 1' ' 11' ' ' ARG . 1.3 mp -108.06 142.77 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.227 -0.921 . . . . 0.0 109.342 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 11' ' ' ARG . . . . . 0.575 ' NE ' ' O ' ' 1' ' 10' ' ' ILE . 0.6 OUTLIER -130.1 152.91 49.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.195 -0.941 . . . . 0.0 110.021 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CD ' ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -154.42 87.73 3.47 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.476 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' 1' ' 12' ' ' VAL 2.573 5.4 Cg_exo 81.3 -135.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.552 2.168 . . . . 0.0 110.324 -174.695 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--N 1.297 -2.164 0 C-N-CA 123.277 2.651 . . . . 0.0 110.947 178.698 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' 1' 1 ' 1' ' ' ARG . . . . . 0.528 ' CB ' HH12 ' 1' ' 3' ' ' ARG . 2.1 mtp180 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.25 0.548 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 2.3 t -148.99 70.57 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.369 -0.832 . . . . 0.0 108.852 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 3' ' ' ARG . . . . . 0.622 ' C ' ' H ' ' 1' ' 5' ' ' ARG . 10.3 mtm-85 -75.61 90.07 2.78 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.054 -1.029 . . . . 0.0 109.345 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 4' ' ' THR . . . . . 0.608 ' O ' ' N ' ' 1' ' 6' ' ' GLY . 81.1 p -57.67 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.244 -0.91 . . . . 0.0 109.397 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 5' ' ' ARG . . . . . 0.622 ' H ' ' C ' ' 1' ' 3' ' ' ARG . 22.4 ttt180 39.13 23.62 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 6' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 92.91 -100.85 2.71 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 7' ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' 1' ' 8' ' ' ARG . 5.0 pttp -86.31 -50.91 6.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.221 -1.164 . . . . 0.0 109.208 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 8' ' ' ARG . . . . . 0.429 ' H ' ' HG3' ' 1' ' 7' ' ' LYS . 10.6 mmt-85 -59.79 -155.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.928 -1.108 . . . . 0.0 109.948 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 9' ' ' ARG . . . . . 0.421 ' H ' ' HB3' ' 1' ' 8' ' ' ARG . 13.9 ttm180 -170.42 113.63 0.45 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 0.0 109.814 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.3 124.46 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.174 -0.954 . . . . 0.0 109.4 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -111.26 151.08 28.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.982 . . . . 0.0 110.01 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 12' ' ' VAL . . . . . 0.532 ' CG1' ' NH2' ' 1' ' 3' ' ' ARG . 7.4 p -147.83 94.66 4.32 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.571 78.5 Cg_exo 85.55 -128.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.617 2.212 . . . . 0.0 110.358 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo . . . . . 0 C--N 1.297 -2.181 0 C-N-CA 123.214 2.609 . . . . 0.0 110.958 179.35 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' 1' 1 ' 1' ' ' ARG . . . . . 0.753 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 121.298 0.571 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 2' ' ' VAL . . . . . 0.627 ' C ' HH22 ' 1' ' 1' ' ' ARG . 10.7 t -145.83 117.05 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.319 -0.863 . . . . 0.0 108.783 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 3' ' ' ARG . . . . . 0.753 ' N ' HH22 ' 1' ' 1' ' ' ARG . 0.4 OUTLIER -64.87 1.18 0.95 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.039 -1.038 . . . . 0.0 109.317 -179.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 4' ' ' THR . . . . . 0.657 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 20.4 m 26.38 71.35 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 109.42 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' 1' ' 7' ' ' LYS . 5.8 tpt180 -37.97 149.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.19 -0.944 . . . . 0.0 109.596 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . -45.23 -18.2 0.15 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 7' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 1.8 tppt? -141.18 -43.3 0.38 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.152 -1.205 . . . . 0.0 109.298 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . 0.707 ' NE ' ' C2 ' ' 2' ' 18' ' ' ' A' . 0.0 OUTLIER -92.08 -159.01 0.62 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.495 -1.378 . . . . 0.0 109.934 -178.497 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 9' ' ' ARG . . . . . 0.567 ' O ' ' C8 ' ' 2' ' 21' ' ' ' A' . 30.6 ttm180 -137.84 142.49 40.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.85 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 10' ' ' ILE . . . . . 0.499 HG13 ' H5 ' ' 2' ' 10' ' ' ' U' . 3.4 mm -139.09 95.68 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.19 -0.944 . . . . 0.0 109.391 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -75.53 137.14 40.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.11 -0.994 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 12' ' ' VAL . . . . . 0.639 ' CG2' ' NH1' ' 1' ' 3' ' ' ARG . 86.9 t -141.42 82.99 13.81 Favored Pre-proline 0 N--CA 1.494 1.748 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 52.6 Cg_exo 77.65 -122.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.598 2.199 . . . . 0.0 110.393 -176.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.299 -2.062 0 C-N-CA 123.184 2.59 . . . . 0.0 110.936 178.866 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.044 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.784 2 C5'-C4'-C3' 107.61 -5.26 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.044 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.074 2 C5'-C4'-C3' 108.686 -4.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.694 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.358 1 C5'-C4'-C3' 107.985 -5.01 . 0.093 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.558 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.241 1 C5'-C4'-C3' 108.892 -4.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.631 " H2'" ' C8 ' ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.36 1 C5'-C4'-C3' 109.243 -4.172 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.905 " C3'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.265 1 C5'-C4'-C3' 109.01 -4.327 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.913 ' O2 ' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.133 2 C5'-C4'-C3' 107.913 -5.058 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.993 " O2'" H5'' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.041 2 C5'-C4'-C3' 105.974 -6.351 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.508 " O4'" ' O2 ' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.779 2 C5'-C4'-C3' 107.546 -5.303 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.993 H5'' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.917 2 C5'-C4'-C3' 109.013 -4.325 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.926 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.547 2.132 1 C3'-C2'-C1' 105.743 4.714 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.468 ' C4 ' ' C4 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.918 1 C5'-C4'-C3' 107.669 -5.221 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.263 ' O2 ' ' H5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.563 3.586 1 C5'-C4'-C3' 107.432 -5.379 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.263 ' H5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.862 2 C5'-C4'-C3' 107.542 -5.305 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.915 ' C8 ' " O2'" ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.895 2 C3'-C2'-C1' 105.838 4.82 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.838 " C5'" " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.911 2 C5'-C4'-C3' 106.95 -5.7 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.828 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.825 1 C5'-C4'-C3' 107.389 -5.408 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.806 H5'' " C4'" ' 2' ' 20' ' ' ' U' . . . . . . . . 1 C4'--C3' 1.474 -4.54 2 C5'-C4'-C3' 106.095 -6.27 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.742 " O2'" ' P ' ' 2' ' 23' ' ' ' C' . . . . . . . . 1 C4'--C3' 1.591 6.109 1 C3'-C2'-C1' 105.504 4.449 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.742 ' P ' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.986 0 C5'-C4'-C3' 109.527 -3.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.555 ' O4 ' ' N4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.013 2 C5'-C4'-C3' 107.605 -5.264 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.518 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.236 1 C5'-C4'-C3' 107.631 -5.246 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.87 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.572 4.409 1 C5'-C4'-C3' 108.305 -4.797 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.87 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.827 1 C3'-C2'-C1' 105.135 4.039 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.55 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.507 1 C5'-C4'-C3' 109.347 -4.102 . 0.447 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.657 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.55 2.382 0 C3'-C2'-C1' 105.036 3.929 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.657 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.4 1 C5'-C4'-C3' 109.144 -4.237 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.621 ' C6 ' " H2'" ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.551 2.478 2 C3'-C2'-C1' 105.79 4.767 . 0.186 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 1' ' ' ARG . . . . . 0.914 ' NH2' ' C6 ' ' 2' ' 9' ' ' ' G' . 4.2 mtp180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.246 0.546 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 36.8 t -150.75 60.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 0.0 108.779 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 3' ' ' ARG . . . . . 0.829 ' NH2' ' N7 ' ' 2' ' 11' ' ' ' G' . 0.2 OUTLIER -47.42 142.96 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.026 -1.046 . . . . 0.0 109.32 -178.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 4' ' ' THR . . . . . 0.741 ' OG1' ' O ' ' 1' ' 4' ' ' THR . 0.4 OUTLIER -124.97 59.36 1.23 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 0.0 109.402 179.541 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . 0.685 ' NH2' ' C2 ' ' 2' ' 10' ' ' ' U' . 50.9 mtt180 -40.73 101.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.0 109.561 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 6' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 51.41 -83.57 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 7' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 27.4 mttt -116.64 -35.89 4.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.152 -1.205 . . . . 0.0 109.223 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . 0.7 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 5.6 mmt85 -53.45 164.42 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.982 -1.074 . . . . 0.0 109.931 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 9' ' ' ARG . . . . . 0.634 ' CG ' " O2'" ' 2' ' 20' ' ' ' U' . 15.8 mmm-85 -141.98 97.46 3.14 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.224 -0.923 . . . . 0.0 109.823 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 10' ' ' ILE . . . . . 0.438 HG13 ' H5 ' ' 2' ' 10' ' ' ' U' . 3.2 mm -90.51 142.94 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 109.417 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.72 125.59 36.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 12' ' ' VAL . . . . . 0.448 HG23 HH11 ' 1' ' 1' ' ' ARG . 0.2 OUTLIER -142.91 100.77 5.41 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.293 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 51.5 Cg_exo 77.15 -126.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.602 2.202 . . . . 0.0 110.36 -175.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.494 ' O ' ' OP2' ' 2' ' 8' ' ' ' C' . 89.9 Cg_endo . . . . . 0 C--N 1.298 -2.107 0 C-N-CA 123.224 2.616 . . . . 0.0 110.889 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.06 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.794 2 C5'-C4'-C3' 107.239 -5.507 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.06 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.1 2 C5'-C4'-C3' 108.582 -4.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.695 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.365 1 C5'-C4'-C3' 108.178 -4.881 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.525 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.224 0 C3'-C2'-C1' 104.987 3.874 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.747 ' N4 ' ' CZ ' ' 1' ' 1' ' ' ARG . . . . . . . . 0 O4'--C1' 1.444 2.541 1 C5'-C4'-C3' 108.549 -4.634 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 9' ' ' ' G' . . . . . 1.087 " H2'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.364 1 C5'-C4'-C3' 108.265 -4.823 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 10' ' ' ' U' . . . . . 1.087 H5'' " H2'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.563 3.501 2 C5'-C4'-C3' 108.671 -4.553 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.972 " H3'" ' OP2' ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.092 2 C5'-C4'-C3' 107.709 -5.194 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.859 2 C5'-C4'-C3' 107.975 -5.017 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.952 H5'' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.867 2 C3'-C2'-C1' 105.358 4.287 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.866 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 1 C4'--C3' 1.576 4.745 1 C3'-C2'-C1' 105.728 4.698 OUTLIER-EPSILON 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.73 ' P ' " O2'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 108.738 -4.508 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.972 ' O2 ' ' C5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.552 2.513 1 C5'-C4'-C3' 107.975 -5.017 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.972 ' C5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.555 2.85 2 C5'-C4'-C3' 107.878 -5.082 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.754 ' C8 ' " O2'" ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.88 2 C5'-C4'-C3' 107.613 -5.258 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.979 " H4'" ' OP1' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.965 2 C5'-C4'-C3' 107.081 -5.612 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' 2' 2 ' 20' ' ' ' U' . . . . . 1.021 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.435 1.752 1 C5'-C4'-C3' 107.457 -5.362 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.814 H5'' " C1'" ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.862 2 C5'-C4'-C3' 106.988 -5.675 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.979 " O2'" H5'' ' 2' ' 23' ' ' ' C' . . . . . . . . 1 C4'--C3' 1.57 4.161 2 C5'-C4'-C3' 107.894 -5.071 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.979 H5'' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.996 1 C5'-C4'-C3' 108.664 -4.558 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.612 ' O4 ' ' N4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.994 1 C5'-C4'-C3' 107.905 -5.063 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.701 ' C4 ' ' C5 ' ' 2' ' 26' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.231 1 C5'-C4'-C3' 108.137 -4.909 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.86 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.594 6.385 1 C5'-C4'-C3' 109.288 -4.142 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.86 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.564 3.597 1 C3'-C2'-C1' 105.106 4.007 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.49 " O4'" " O2'" ' 2' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.446 2.636 0 C5'-C4'-C3' 109.691 -3.872 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.58 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.314 0 C3'-C2'-C1' 104.964 3.848 . 0.614 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.618 ' N4 ' ' N4 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.436 1 C5'-C4'-C3' 108.893 -4.405 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.618 ' N4 ' ' N4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.553 2.614 2 C3'-C2'-C1' 105.872 4.857 . 0.108 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 1' ' ' ARG . . . . . 0.882 ' NH1' HH12 ' 1' ' 3' ' ' ARG . 2.3 tmm_? . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.229 0.538 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.02 135.82 62.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.852 . . . . 0.0 108.847 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 3' ' ' ARG . . . . . 0.882 HH12 ' NH1' ' 1' ' 1' ' ' ARG . 66.5 mtm-85 -93.38 93.98 8.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.079 -1.013 . . . . 0.0 109.352 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 4' ' ' THR . . . . . 0.686 ' CG2' ' HE ' ' 1' ' 9' ' ' ARG . 3.1 p -63.62 54.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.367 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . 0.601 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 6.0 ttt-85 -40.45 119.5 1.09 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.6 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . 42.13 -92.11 0.01 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 7' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 47.8 mttp -122.55 -6.84 8.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -1.188 . . . . 0.0 109.297 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . 0.807 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 18.0 mmt-85 -82.95 176.33 9.36 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.743 -1.223 . . . . 0.0 110.011 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 9' ' ' ARG . . . . . 0.686 ' HE ' ' CG2' ' 1' ' 4' ' ' THR . 13.4 mmt85 -140.46 112.38 7.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.165 -0.96 . . . . 0.0 109.8 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 10' ' ' ILE . . . . . 0.591 HG13 ' H5 ' ' 2' ' 10' ' ' ' U' . 6.5 mm -110.33 86.21 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.36 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -54.73 141.84 30.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.198 -0.939 . . . . 0.0 110.059 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 12' ' ' VAL . . . . . 0.673 ' HB ' HH11 ' 1' ' 1' ' ' ARG . 54.6 t -149.23 81.06 7.58 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 36.0 Cg_exo 73.67 -121.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.568 2.179 . . . . 0.0 110.301 -177.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.476 ' CB ' ' OP2' ' 2' ' 7' ' ' ' U' . 82.0 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.263 2.642 . . . . 0.0 110.976 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.022 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.832 2 C5'-C4'-C3' 107.433 -5.378 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.022 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.977 2 C5'-C4'-C3' 108.658 -4.561 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.693 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.465 1 C5'-C4'-C3' 108.213 -4.858 . 0.095 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.487 " O5'" " O2'" ' 2' ' 6' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.278 1 C5'-C4'-C3' 109.139 -4.241 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.756 ' C4 ' ' NH2' ' 1' ' 1' ' ' ARG . . . . . . . . 0 O4'--C1' 1.442 2.372 0 C5'-C4'-C3' 109.549 -3.967 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.739 ' O6 ' ' NH2' ' 1' ' 1' ' ' ARG . . . . . . . . 0 O4'--C1' 1.442 2.37 1 C5'-C4'-C3' 108.394 -4.737 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.681 ' N3 ' ' N7 ' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.228 2 C5'-C4'-C3' 108.241 -4.84 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.709 " O2'" " C5'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.066 2 C5'-C4'-C3' 106.264 -6.158 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.5 ' P ' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.801 2 C5'-C4'-C3' 107.544 -5.304 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.764 " H2'" " O4'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.853 2 C5'-C4'-C3' 106.95 -5.7 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.764 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.882 2 C3'-C2'-C1' 105.788 4.764 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.604 ' C4 ' ' C4 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.909 1 C5'-C4'-C3' 108.393 -4.738 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.854 " H2'" ' C6 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.865 1 C5'-C4'-C3' 106.313 -6.125 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.982 ' O2 ' H5'' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.432 -1.77 2 C5'-C4'-C3' 107.446 -5.369 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.835 " H4'" " C5'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.846 2 C5'-C4'-C3' 107.613 -5.258 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.87 " H3'" ' OP2' ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.886 2 C5'-C4'-C3' 108.011 -4.993 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.919 " C1'" H5'' ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.821 1 C5'-C4'-C3' 107.845 -5.104 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.919 H5'' " C1'" ' 2' ' 20' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.501 -2.105 2 C5'-C4'-C3' 106.395 -6.07 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.776 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.432 -1.778 2 C5'-C4'-C3' 107.06 -5.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.654 ' N4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.01 1 C5'-C4'-C3' 108.344 -4.771 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.654 ' O4 ' ' N4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.561 3.338 2 C5'-C4'-C3' 108.124 -4.917 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.549 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.288 1 C5'-C4'-C3' 108.163 -4.891 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.863 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.59 6.044 1 C5'-C4'-C3' 108.663 -4.558 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.863 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.565 3.744 1 C3'-C2'-C1' 105.142 4.047 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.521 " O4'" " O2'" ' 2' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.572 0 O4'-C1'-N19 112.104 3.904 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.656 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.322 0 C3'-C2'-C1' 105.012 3.902 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.656 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.432 1 C5'-C4'-C3' 108.976 -4.35 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.633 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.55 2.376 2 C3'-C2'-C1' 105.797 4.774 . 0.065 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 1' ' ' ARG . . . . . 0.658 ' NH1' ' C5 ' ' 2' ' 8' ' ' ' C' . 7.0 mtm-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.237 0.542 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 2' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' 1' ' 4' ' ' THR . 18.2 m -138.25 91.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.314 -0.866 . . . . 0.0 108.795 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 3' ' ' ARG . . . . . 0.845 ' NH1' ' N7 ' ' 2' ' 11' ' ' ' G' . 28.4 mtm180 -55.51 81.3 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.071 -1.018 . . . . 0.0 109.332 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 4' ' ' THR . . . . . 0.611 ' N ' ' O ' ' 1' ' 2' ' ' VAL . 42.5 m -60.9 81.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 0.0 109.382 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . 0.648 ' HE ' " C2'" ' 2' ' 10' ' ' ' U' . 4.4 mmt85 -39.34 -92.12 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.627 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.6 -62.32 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -100.93 7.93 43.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.091 -1.241 . . . . 0.0 109.28 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . 0.675 ' NE ' ' C2 ' ' 2' ' 18' ' ' ' A' . 30.4 mmt-85 -135.64 -161.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.899 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 9' ' ' ARG . . . . . 0.555 ' CB ' " O2'" ' 2' ' 20' ' ' ' U' . 26.6 ttm-85 -165.1 112.63 1.0 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.845 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 10' ' ' ILE . . . . . 0.438 HG13 ' H5 ' ' 2' ' 10' ' ' ' U' . 6.0 mm -94.43 164.5 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.14 -0.975 . . . . 0.0 109.321 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 11' ' ' ARG . . . . . 0.424 ' HG2' HH11 ' 1' ' 11' ' ' ARG . 7.4 tpp85 -120.57 123.23 42.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 0.0 110.009 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 12' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' 1' ' 1' ' ' ARG . 59.8 t -125.2 84.65 59.23 Favored Pre-proline 0 N--CA 1.494 1.735 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 13' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.573 30.8 Cg_endo 48.88 -102.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.542 2.162 . . . . 0.0 110.328 -177.508 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' 1' ' 13' ' ' PRO . 79.1 Cg_endo . . . . . 0 C--N 1.297 -2.134 0 C-N-CA 123.197 2.598 . . . . 0.0 110.991 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.067 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.809 2 C5'-C4'-C3' 107.258 -5.495 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.067 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.134 2 C3'-C2'-C1' 105.51 4.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.674 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.389 1 C5'-C4'-C3' 108.067 -4.955 . 0.104 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.509 " C5'" " O2'" ' 2' ' 6' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.248 1 C5'-C4'-C3' 109.476 -4.016 . 0.012 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.658 ' C5 ' ' NH1' ' 1' ' 1' ' ' ARG . . . . . . . . 0 O4'--C1' 1.442 2.328 1 C5'-C4'-C3' 109.09 -4.273 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.776 " O2'" H5'' ' 2' ' 11' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.555 2.805 1 C5'-C4'-C3' 109.257 -4.162 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.798 ' C4 ' ' NH1' ' 1' ' 3' ' ' ARG . . . . . . . . 0 C4'--C3' 1.552 2.578 2 C5'-C4'-C3' 106.644 -5.904 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' 2' 2 ' 11' ' ' ' G' . . . . . 1.11 " O2'" H5'' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.557 2.994 2 C5'-C4'-C3' 107.08 -5.613 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.633 " H4'" " O5'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.432 -1.762 2 C5'-C4'-C3' 107.61 -5.26 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' 2' 2 ' 13' ' ' ' A' . . . . . 1.11 H5'' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.828 2 C3'-C2'-C1' 105.389 4.321 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.791 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.943 2 C3'-C2'-C1' 105.788 4.765 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.563 " H2'" ' C6 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.961 2 C5'-C4'-C3' 107.796 -5.136 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.165 ' O2 ' ' H5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.56 3.296 1 C5'-C4'-C3' 107.854 -5.097 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.165 ' H5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.836 2 C5'-C4'-C3' 107.872 -5.085 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.815 ' N3 ' ' H5 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.94 2 C3'-C2'-C1' 105.865 4.849 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.794 H5'' " C4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.964 2 C5'-C4'-C3' 107.111 -5.593 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' 2' 2 ' 20' ' ' ' U' . . . . . 1.039 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.859 2 C5'-C4'-C3' 107.685 -5.21 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.765 ' C6 ' ' N1 ' ' 2' ' 18' ' ' ' A' . . . . . . . . 1 C4'--C3' 1.474 -4.567 2 C5'-C4'-C3' 106.027 -6.315 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.679 ' C8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.564 3.666 2 C5'-C4'-C3' 107.232 -5.512 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.657 ' C5 ' ' C4 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.904 1 C5'-C4'-C3' 108.893 -4.405 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.628 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.935 2 C5'-C4'-C3' 108.058 -4.962 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.628 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.199 1 C5'-C4'-C3' 108.315 -4.79 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.867 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.583 5.4 1 C5'-C4'-C3' 108.86 -4.427 OUTLIER-EPSILON 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.867 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.813 1 C3'-C2'-C1' 105.123 4.025 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.499 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.586 1 C5'-C4'-C3' 109.23 -4.18 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.571 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.222 0 C3'-C2'-C1' 105.029 3.922 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.615 ' N4 ' ' N4 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.444 2.472 1 C5'-C4'-C3' 108.915 -4.39 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.615 ' N4 ' ' N4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.812 2 C3'-C2'-C1' 105.809 4.788 . 0.228 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 1' ' ' ARG . . . . . 0.776 HH22 ' CA ' ' 1' ' 3' ' ' ARG . 1.1 ptm180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.302 0.572 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 2' ' ' VAL . . . . . 0.408 ' C ' HH22 ' 1' ' 1' ' ' ARG . 0.7 OUTLIER -126.82 114.17 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.284 -0.885 . . . . 0.0 108.808 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 3' ' ' ARG . . . . . 0.776 ' CA ' HH22 ' 1' ' 1' ' ' ARG . 4.2 ttp180 -101.9 41.9 1.18 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.099 -1.001 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 4' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' 1' ' 8' ' ' ARG . 6.6 t -43.1 126.52 4.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . 0.656 ' NH2' ' C8 ' ' 2' ' 14' ' ' ' G' . 13.2 ttm180 -69.44 -64.81 0.81 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.563 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.36 0.02 OUTLIER Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -99.9 -12.04 20.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -1.207 . . . . 0.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . 0.885 ' NH2' ' C4 ' ' 2' ' 21' ' ' ' A' . 2.2 mmm180 -101.0 -158.3 0.66 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.431 -1.418 . . . . 0.0 109.966 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 9' ' ' ARG . . . . . 0.583 ' CB ' " O2'" ' 2' ' 20' ' ' ' U' . 22.7 ttt180 -146.39 147.81 31.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.79 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 10' ' ' ILE . . . . . 0.497 HG13 ' H5 ' ' 2' ' 10' ' ' ' U' . 3.6 mm -139.27 72.89 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.153 -0.967 . . . . 0.0 109.362 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -59.86 134.87 57.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.221 -0.924 . . . . 0.0 110.044 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 12' ' ' VAL . . . . . 0.44 ' HB ' HH11 ' 1' ' 1' ' ' ARG . 61.5 t -138.86 87.16 14.69 Favored Pre-proline 0 N--CA 1.493 1.724 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 13' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.572 51.9 Cg_exo 80.63 -124.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.52 2.147 . . . . 0.0 110.326 -175.738 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.429 ' HG2' " H3'" ' 2' ' 7' ' ' ' U' . 73.8 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.232 2.621 . . . . 0.0 110.937 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.05 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.771 2 C5'-C4'-C3' 108.353 -4.765 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.05 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.058 2 C5'-C4'-C3' 108.458 -4.695 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.728 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.454 1 C5'-C4'-C3' 107.824 -5.117 . 0.088 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.529 " O5'" " O2'" ' 2' ' 6' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.282 1 C5'-C4'-C3' 109.085 -4.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.649 " H2'" ' C8 ' ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.461 1 C5'-C4'-C3' 109.171 -4.219 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.729 ' N3 ' ' N2 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.306 1 C5'-C4'-C3' 108.868 -4.422 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 10' ' ' ' U' . . . . . 1.023 ' O2 ' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.138 2 C5'-C4'-C3' 108.467 -4.689 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' 2' 2 ' 11' ' ' ' G' . . . . . 1.023 " H2'" ' O2 ' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.049 2 C5'-C4'-C3' 105.534 -6.644 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.55 " O4'" ' O2 ' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.833 2 C5'-C4'-C3' 107.549 -5.3 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.87 " H2'" " O4'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.901 2 C3'-C2'-C1' 105.355 4.283 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.87 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.55 2.326 1 C3'-C2'-C1' 105.65 4.612 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.533 " H2'" ' C6 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.973 1 C5'-C4'-C3' 108.026 -4.983 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.118 ' O2 ' ' C5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.553 2.613 1 C5'-C4'-C3' 107.063 -5.624 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.118 ' C5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 1 C4'--C3' 1.593 6.249 2 C5'-C4'-C3' 108.601 -4.599 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.966 ' OP2' ' H8 ' ' 2' ' 18' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.559 3.179 2 C5'-C4'-C3' 105.05 -6.967 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' 2' 2 ' 19' ' ' ' U' . . . . . 1.031 ' P ' " H3'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.958 2 C3'-C2'-C1' 105.876 4.862 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' 2' 2 ' 20' ' ' ' U' . . . . . 1.013 ' OP1' " H4'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.833 1 C5'-C4'-C3' 107.938 -5.041 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.885 ' C4 ' ' NH2' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.923 2 C5'-C4'-C3' 105.393 -6.738 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.819 " O2'" ' H6 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.833 2 C5'-C4'-C3' 107.493 -5.338 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.819 ' H6 ' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.946 1 C5'-C4'-C3' 107.936 -5.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.541 ' O4 ' ' N4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.988 1 C5'-C4'-C3' 107.687 -5.208 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.52 " O4'" " C2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.153 1 C5'-C4'-C3' 107.756 -5.162 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.874 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.573 4.478 1 C5'-C4'-C3' 108.431 -4.712 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.874 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.861 1 C3'-C2'-C1' 105.155 4.061 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.515 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.586 1 C5'-C4'-C3' 109.257 -4.162 . 0.42 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.665 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.335 0 C3'-C2'-C1' 105.054 3.949 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.665 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.487 1 C5'-C4'-C3' 109.015 -4.323 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.659 ' C6 ' " H2'" ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.548 2.172 2 C3'-C2'-C1' 105.855 4.839 . 0.202 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 1' ' ' ARG . . . . . 0.769 ' NH1' ' C5 ' ' 2' ' 8' ' ' ' C' . 11.4 ttp-105 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.304 0.573 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 2' ' ' VAL . . . . . 0.635 ' H ' ' CG ' ' 1' ' 1' ' ' ARG . 5.4 p -171.56 84.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.271 -0.893 . . . . 0.0 108.875 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 3' ' ' ARG . . . . . 0.699 ' H ' ' CD ' ' 1' ' 3' ' ' ARG . 0.0 OUTLIER -79.86 140.66 36.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.123 -0.986 . . . . 0.0 109.338 -178.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 4' ' ' THR . . . . . 0.494 ' C ' ' H ' ' 1' ' 6' ' ' GLY . 3.2 m -95.72 107.17 19.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.277 -0.889 . . . . 0.0 109.42 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -70.79 10.77 0.46 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.991 . . . . 0.0 109.614 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 6' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' 1' ' 4' ' ' THR . . . 80.25 -85.71 1.31 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -62.39 -33.89 75.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.088 -1.242 . . . . 0.0 109.274 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . 1.05 ' NH1' ' C8 ' ' 2' ' 21' ' ' ' A' . 0.0 OUTLIER -134.92 -152.24 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.414 -0.804 . . . . 0.0 109.995 179.559 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 9' ' ' ARG . . . . . 0.762 ' CG ' ' H ' ' 1' ' 10' ' ' ILE . 6.5 ttp180 -160.07 -175.32 5.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.197 -0.939 . . . . 0.0 109.905 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 10' ' ' ILE . . . . . 0.762 ' H ' ' CG ' ' 1' ' 9' ' ' ARG . 0.2 OUTLIER -177.11 164.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.907 . . . . 0.0 109.329 179.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 11' ' ' ARG . . . . . 0.603 ' C ' HH12 ' 1' ' 3' ' ' ARG . 10.1 mmm180 -128.72 149.38 50.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 110.018 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 12' ' ' VAL . . . . . 0.578 ' CG1' ' NH1' ' 1' ' 3' ' ' ARG . 3.4 p -147.8 85.68 6.48 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 5.0 Cg_exo 82.58 -127.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.516 2.144 . . . . 0.0 110.326 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo . . . . . 0 C--N 1.297 -2.143 0 C-N-CA 123.211 2.608 . . . . 0.0 110.957 178.588 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.003 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.877 2 C5'-C4'-C3' 108.332 -4.778 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.003 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.063 2 C3'-C2'-C1' 105.441 4.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.698 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.341 1 C5'-C4'-C3' 108.629 -4.581 . 0.109 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.517 " H2'" ' H6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.212 0 C3'-C2'-C1' 104.973 3.858 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.769 ' C5 ' ' NH1' ' 1' ' 1' ' ' ARG . . . . . . . . 0 O4'--C1' 1.443 2.432 1 C5'-C4'-C3' 108.918 -4.388 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.821 " C3'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.257 1 C5'-C4'-C3' 108.78 -4.48 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.831 " H4'" ' OP1' ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.141 2 C5'-C4'-C3' 107.811 -5.126 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.956 " H2'" H5'' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.14 2 C5'-C4'-C3' 106.385 -6.077 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.567 " H4'" ' OP2' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.795 2 C5'-C4'-C3' 107.707 -5.195 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.956 H5'' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.799 2 C5'-C4'-C3' 106.205 -6.197 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.898 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 1 C4'--C3' 1.576 4.76 1 C3'-C2'-C1' 105.722 4.691 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.736 " H2'" H5'' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 108.623 -4.585 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.736 H5'' " H2'" ' 2' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.019 1 C5'-C4'-C3' 106.611 -5.926 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.759 " H4'" ' OP1' ' 2' ' 18' ' ' ' A' . . . . . . . . 0 P--O5' 1.612 1.872 2 C5'-C4'-C3' 108.079 -4.947 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' 2' 2 ' 18' ' ' ' A' . . . . . 1.045 " H4'" H5'' ' 2' ' 19' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.554 2.695 1 C3'-C2'-C1' 105.846 4.829 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' 2' 2 ' 19' ' ' ' U' . . . . . 1.045 H5'' " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.013 2 C5'-C4'-C3' 107.679 -5.214 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' 2' 2 ' 20' ' ' ' U' . . . . . 1.003 ' C6 ' ' CZ ' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.956 2 C5'-C4'-C3' 107.476 -5.349 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' 2' 2 ' 21' ' ' ' A' . . . . . 1.05 ' C8 ' ' NH1' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.92 2 C5'-C4'-C3' 105.317 -6.789 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.954 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.432 -1.755 2 C5'-C4'-C3' 106.776 -5.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.631 ' N4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.984 1 C5'-C4'-C3' 108.319 -4.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.631 ' O4 ' ' N4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.983 2 C5'-C4'-C3' 107.568 -5.288 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.588 " C1'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.181 1 C5'-C4'-C3' 108.33 -4.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.857 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.575 4.633 1 C5'-C4'-C3' 108.286 -4.81 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.857 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.554 2.761 1 C3'-C2'-C1' 105.204 4.116 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.47 " O4'" " O2'" ' 2' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.594 0 C5'-C4'-C3' 109.508 -3.995 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.639 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.552 2.515 0 C3'-C2'-C1' 104.959 3.844 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.675 " H2'" ' C6 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.447 1 C5'-C4'-C3' 109.097 -4.269 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.675 ' C6 ' " H2'" ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.554 2.772 2 C3'-C2'-C1' 105.829 4.81 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 1' ' ' ARG . . . . . 0.698 ' NH2' ' O6 ' ' 2' ' 9' ' ' ' G' . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.239 0.542 . . . . 0.0 109.611 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 2' ' ' VAL . . . . . 0.559 ' CG1' ' HE ' ' 1' ' 9' ' ' ARG . 0.8 OUTLIER -81.45 110.98 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.302 -0.874 . . . . 0.0 108.817 178.668 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 3' ' ' ARG . . . . . 0.822 ' NH2' ' N7 ' ' 2' ' 11' ' ' ' G' . 0.0 OUTLIER -79.61 102.03 8.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.038 -1.039 . . . . 0.0 109.283 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 4' ' ' THR . . . . . 0.634 ' HG1' ' CZ ' ' 1' ' 9' ' ' ARG . 15.3 m -69.16 85.02 0.36 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . 0.597 ' HD3' " H2'" ' 2' ' 10' ' ' ' U' . 0.5 OUTLIER -58.68 -168.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.098 -1.001 . . . . 0.0 109.605 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 6' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' 1' ' 7' ' ' LYS . . . -85.84 103.38 2.75 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 7' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' 1' ' 6' ' ' GLY . 0.4 OUTLIER 78.33 4.89 2.67 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.153 -1.204 . . . . 0.0 109.315 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . 0.712 ' NE ' ' C2 ' ' 2' ' 18' ' ' ' A' . 9.9 mmt-85 -139.26 -162.84 1.38 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.546 -0.722 . . . . 0.0 109.91 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 9' ' ' ARG . . . . . 0.634 ' CZ ' ' HG1' ' 1' ' 4' ' ' THR . 4.1 ttt180 -161.29 106.91 1.36 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.15 -0.969 . . . . 0.0 109.803 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 10' ' ' ILE . . . . . 0.455 ' CD1' ' N7 ' ' 2' ' 21' ' ' ' A' . 2.7 mm -93.49 171.51 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.177 -0.952 . . . . 0.0 109.32 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -139.12 139.9 37.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.151 -0.968 . . . . 0.0 110.05 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 12' ' ' VAL . . . . . 0.616 ' CG1' ' NH1' ' 1' ' 1' ' ' ARG . 12.5 t -149.8 82.76 6.53 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 64.2 Cg_exo 84.93 -128.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.535 2.156 . . . . 0.0 110.298 -176.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.298 -2.103 0 C-N-CA 123.146 2.564 . . . . 0.0 110.907 -179.679 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' 2' 2 ' 4' ' ' ' G' . . . . . 0.976 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 P--O5' 1.61 1.723 2 C5'-C4'-C3' 107.11 -5.593 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 5' ' ' ' G' . . . . . 0.976 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.136 2 C3'-C2'-C1' 105.463 4.403 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.7 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.4 1 C5'-C4'-C3' 108.141 -4.906 . 0.099 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.554 " O5'" " O2'" ' 2' ' 6' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.185 1 C5'-C4'-C3' 109.035 -4.31 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.515 ' C6 ' " H2'" ' 2' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.365 0 C5'-C4'-C3' 109.896 -3.736 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.738 " H2'" HH12 ' 1' ' 3' ' ' ARG . . . . . . . . 0 O4'--C1' 1.442 2.322 1 C5'-C4'-C3' 108.507 -4.662 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.977 ' O2 ' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.145 2 C5'-C4'-C3' 107.779 -5.147 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.977 " H2'" ' O2 ' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.168 2 C5'-C4'-C3' 106.618 -5.922 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.838 " H2'" ' O2 ' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.846 2 C5'-C4'-C3' 107.674 -5.218 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.683 " H2'" " O4'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.912 2 C5'-C4'-C3' 109.045 -4.303 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.683 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.981 2 C3'-C2'-C1' 105.736 4.707 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.642 ' C4 ' ' C4 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.055 2 C5'-C4'-C3' 108.013 -4.991 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.898 " H2'" ' C6 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.554 2.733 1 C5'-C4'-C3' 107.614 -5.257 OUTLIER-EPSILON 0.01 1f . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.945 H5'' ' O2 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.883 2 C5'-C4'-C3' 108.439 -4.707 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.783 " H4'" " C5'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.544 1.799 2 C3'-C2'-C1' 105.857 4.841 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.783 " C5'" " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 C5'-C4'-C3' 107.407 -5.395 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.858 " C1'" H5'' ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.435 1.759 1 C5'-C4'-C3' 107.781 -5.146 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.942 " O2'" ' H8 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.918 2 C5'-C4'-C3' 106.903 -5.731 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.942 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.96 2 C5'-C4'-C3' 107.699 -5.201 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.621 ' N4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.017 1 C5'-C4'-C3' 107.744 -5.17 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.621 ' O4 ' ' N4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.066 2 C5'-C4'-C3' 108.4 -4.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.53 " O4'" " C2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.213 1 C5'-C4'-C3' 109.055 -4.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.859 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.577 4.78 1 C5'-C4'-C3' 109.438 -4.041 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.859 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.564 3.614 1 C3'-C2'-C1' 105.188 4.098 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.574 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.581 0 O4'-C1'-N19 112.045 3.845 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.686 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.552 2.568 0 C3'-C2'-C1' 104.949 3.832 . 0.313 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.686 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.506 1 C5'-C4'-C3' 109.045 -4.303 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.652 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.155 2 C3'-C2'-C1' 105.806 4.785 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 1' ' ' ARG . . . . . 0.941 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.29 0.567 . . . . 0.0 109.56 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.92 116.12 51.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.282 -0.886 . . . . 0.0 108.828 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 3' ' ' ARG . . . . . 0.941 ' N ' HH22 ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -88.15 64.77 7.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.355 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 4' ' ' THR . . . . . 0.408 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 93.9 m -45.09 89.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.173 -0.954 . . . . 0.0 109.431 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 23.6 ttt-85 -64.8 -153.42 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.224 -0.923 . . . . 0.0 109.59 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 6' ' ' GLY . . . . . 0.44 ' H ' ' HG2' ' 1' ' 5' ' ' ARG . . . -58.93 -100.63 0.01 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -91.7 -1.88 57.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.122 -1.223 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . 0.698 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 50.5 mmt-85 -97.92 -155.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.337 -0.852 . . . . 0.0 109.961 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 9' ' ' ARG . . . . . 0.477 ' CB ' " O2'" ' 2' ' 20' ' ' ' U' . 8.3 ttp180 -176.88 91.87 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 10' ' ' ILE . . . . . 0.406 HG13 ' N7 ' ' 2' ' 22' ' ' ' G' . 1.4 mp -96.07 150.83 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.356 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 11' ' ' ARG . . . . . 0.603 HH21 ' P ' ' 2' ' 21' ' ' ' A' . 11.2 mtm180 -121.18 156.15 33.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.111 -0.993 . . . . 0.0 110.044 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 12' ' ' VAL . . . . . 0.464 HG21 HH12 ' 1' ' 3' ' ' ARG . 20.9 t -152.22 86.79 4.36 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.57 75.6 Cg_exo 84.96 -131.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.549 2.166 . . . . 0.0 110.275 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.297 -2.133 0 C-N-CA 123.236 2.624 . . . . 0.0 110.935 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.023 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.778 2 C5'-C4'-C3' 107.361 -5.426 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.023 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.081 2 C5'-C4'-C3' 108.62 -4.587 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.713 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.441 1 C5'-C4'-C3' 108.296 -4.802 . 0.09 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.58 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.141 1 C5'-C4'-C3' 109.088 -4.275 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.693 " H2'" ' C8 ' ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.32 1 C5'-C4'-C3' 109.051 -4.299 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.855 " H2'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.352 1 C5'-C4'-C3' 108.059 -4.96 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.855 H5'' " H2'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.558 3.114 2 C5'-C4'-C3' 106.951 -5.699 OUTLIER-EPSILON 0.06 7r . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.877 " H4'" ' OP2' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.076 2 C5'-C4'-C3' 107.255 -5.496 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.89 " H4'" ' OP2' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.544 1.851 2 C5'-C4'-C3' 107.875 -5.083 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.89 ' OP2' " H4'" ' 2' ' 12' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.924 2 C5'-C4'-C3' 106.605 -5.93 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.725 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.552 2.544 2 C5'-C4'-C3' 108.381 -4.746 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.604 " O2'" ' OP1' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.02 2 C5'-C4'-C3' 108.97 -4.354 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.136 ' O2 ' ' H5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.564 3.624 1 C5'-C4'-C3' 106.627 -5.915 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.136 ' H5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.556 2.902 2 C5'-C4'-C3' 108.23 -4.847 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.782 ' C8 ' " O2'" ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.773 2 C5'-C4'-C3' 106.037 -6.309 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.736 H5'' " O4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.892 2 C5'-C4'-C3' 107.338 -5.441 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.923 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.802 2 C5'-C4'-C3' 107.726 -5.183 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.845 H5'' " O4'" ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.874 2 C5'-C4'-C3' 105.657 -6.562 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.745 " O2'" ' H6 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.844 2 C5'-C4'-C3' 106.95 -5.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.745 ' H6 ' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.957 1 C5'-C4'-C3' 108.353 -4.765 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.842 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.036 2 C5'-C4'-C3' 107.913 -5.058 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.842 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.121 1 C5'-C4'-C3' 109.087 -4.275 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.841 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.592 6.143 1 C5'-C4'-C3' 108.846 -4.436 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.841 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.556 2.875 1 C3'-C2'-C1' 105.175 4.083 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.532 ' C8 ' " H2'" ' 2' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.533 1 C5'-C4'-C3' 109.359 -4.094 . 0.345 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.617 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.213 0 C3'-C2'-C1' 104.927 3.807 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.691 ' C4 ' ' N4 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.444 2.47 1 C5'-C4'-C3' 108.833 -4.445 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.691 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.063 2 C5'-C4'-C3' 108.094 -4.937 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 1' ' ' ARG . . . . . 0.884 ' NH2' ' C6 ' ' 2' ' 9' ' ' ' G' . 5.7 ptm180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.321 0.581 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 t -74.27 134.06 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.294 -0.879 . . . . 0.0 108.823 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 3' ' ' ARG . . . . . 0.726 ' NH2' ' C4 ' ' 2' ' 10' ' ' ' U' . 15.4 ttp85 -145.68 53.37 1.17 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.259 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 4' ' ' THR . . . . . 0.457 ' HB ' HH22 ' 1' ' 11' ' ' ARG . 3.7 t -52.01 141.82 17.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 0.0 109.433 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . 0.443 ' NH1' ' O4 ' ' 2' ' 16' ' ' ' U' . 25.9 ttt180 -84.03 21.42 1.35 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.125 -0.984 . . . . 0.0 109.538 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.56 -75.3 0.56 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -94.81 -25.92 16.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.176 -1.191 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . 0.811 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 6.9 mtt85 -94.73 -145.88 0.26 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.986 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 9' ' ' ARG . . . . . 0.476 ' H ' ' HB3' ' 1' ' 8' ' ' ARG . 42.8 ttt-85 -165.73 100.76 0.68 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.165 -0.959 . . . . 0.0 109.834 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 10' ' ' ILE . . . . . 0.575 ' O ' ' NE ' ' 1' ' 11' ' ' ARG . 1.3 mp -108.06 142.77 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.227 -0.921 . . . . 0.0 109.342 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 11' ' ' ARG . . . . . 0.575 ' NE ' ' O ' ' 1' ' 10' ' ' ILE . 0.6 OUTLIER -130.1 152.91 49.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.195 -0.941 . . . . 0.0 110.021 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CD ' ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -154.42 87.73 3.47 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.476 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' 1' ' 12' ' ' VAL 2.573 5.4 Cg_exo 81.3 -135.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.552 2.168 . . . . 0.0 110.324 -174.695 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.493 ' O ' ' OP2' ' 2' ' 8' ' ' ' C' . 84.5 Cg_endo . . . . . 0 C--N 1.297 -2.164 0 C-N-CA 123.277 2.651 . . . . 0.0 110.947 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.004 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.544 1.851 2 C5'-C4'-C3' 107.899 -5.067 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.004 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 108.626 -4.582 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.711 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.44 1 C5'-C4'-C3' 107.938 -5.041 . 0.092 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.611 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.244 1 C5'-C4'-C3' 108.595 -4.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.749 ' C4 ' ' NH2' ' 1' ' 1' ' ' ARG . . . . . . . . 0 O4'--C1' 1.443 2.404 1 C5'-C4'-C3' 108.044 -4.971 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.884 ' C6 ' ' NH2' ' 1' ' 1' ' ' ARG . . . . . . . . 0 O4'--C1' 1.441 2.234 1 C5'-C4'-C3' 107.523 -5.318 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.888 " H4'" ' OP1' ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.083 2 C5'-C4'-C3' 107.74 -5.173 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.888 ' OP1' " H4'" ' 2' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.03 2 C5'-C4'-C3' 106.783 -5.811 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.847 ' OP1' " H4'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.785 2 C5'-C4'-C3' 107.492 -5.339 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.758 " H2'" " O4'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.879 2 C5'-C4'-C3' 107.724 -5.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.758 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 1 C4'--C3' 1.575 4.642 1 C3'-C2'-C1' 105.747 4.718 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.994 " H2'" H5'' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.017 2 C5'-C4'-C3' 109.274 -4.151 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.994 H5'' " H2'" ' 2' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.901 1 C5'-C4'-C3' 105.78 -6.48 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.792 ' C6 ' " H2'" ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.865 2 C3'-C2'-C1' 105.601 4.556 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.811 ' N1 ' ' NE ' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.954 2 C5'-C4'-C3' 108.223 -4.852 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.754 " C5'" " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.915 2 C5'-C4'-C3' 107.345 -5.437 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' 2' 2 ' 20' ' ' ' U' . . . . . 1.002 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.814 2 C5'-C4'-C3' 107.558 -5.294 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.941 " O2'" ' H8 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.847 2 C5'-C4'-C3' 107.053 -5.631 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.941 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.823 2 C5'-C4'-C3' 107.411 -5.392 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.614 ' C4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.961 1 C5'-C4'-C3' 107.87 -5.087 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.614 ' O4 ' ' C4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.971 2 C5'-C4'-C3' 107.137 -5.575 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.589 " O4'" " C2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.192 1 C5'-C4'-C3' 107.839 -5.107 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.832 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.587 5.689 1 C5'-C4'-C3' 109.001 -4.333 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.832 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.78 1 C3'-C2'-C1' 105.171 4.079 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.593 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.59 1 C5'-C4'-C3' 108.824 -4.451 . 0.327 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.711 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.279 0 C3'-C2'-C1' 104.975 3.861 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.711 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.348 1 C5'-C4'-C3' 108.675 -4.55 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.666 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.074 2 C3'-C2'-C1' 105.83 4.811 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 1' ' ' ARG . . . . . 0.829 ' NH2' ' C6 ' ' 2' ' 9' ' ' ' G' . 2.1 mtp180 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.25 0.548 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 2.3 t -148.99 70.57 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.369 -0.832 . . . . 0.0 108.852 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 3' ' ' ARG . . . . . 0.622 ' C ' ' H ' ' 1' ' 5' ' ' ARG . 10.3 mtm-85 -75.61 90.07 2.78 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.054 -1.029 . . . . 0.0 109.345 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 4' ' ' THR . . . . . 0.608 ' O ' ' N ' ' 1' ' 6' ' ' GLY . 81.1 p -57.67 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.244 -0.91 . . . . 0.0 109.397 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 5' ' ' ARG . . . . . 0.622 ' H ' ' C ' ' 1' ' 3' ' ' ARG . 22.4 ttt180 39.13 23.62 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 6' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 92.91 -100.85 2.71 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 7' ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' 1' ' 8' ' ' ARG . 5.0 pttp -86.31 -50.91 6.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.221 -1.164 . . . . 0.0 109.208 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 8' ' ' ARG . . . . . 0.834 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 10.6 mmt-85 -59.79 -155.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.928 -1.108 . . . . 0.0 109.948 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 9' ' ' ARG . . . . . 0.446 ' CB ' " O2'" ' 2' ' 20' ' ' ' U' . 13.9 ttm180 -170.42 113.63 0.45 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 0.0 109.814 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 10' ' ' ILE . . . . . 0.407 HD11 ' C5 ' ' 2' ' 21' ' ' ' A' . 0.6 OUTLIER -130.3 124.46 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.174 -0.954 . . . . 0.0 109.4 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -111.26 151.08 28.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.982 . . . . 0.0 110.01 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 12' ' ' VAL . . . . . 0.532 ' CG1' ' NH2' ' 1' ' 3' ' ' ARG . 7.4 p -147.83 94.66 4.32 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.571 78.5 Cg_exo 85.55 -128.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.617 2.212 . . . . 0.0 110.358 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.519 ' O ' ' OP2' ' 2' ' 8' ' ' ' C' . 94.7 Cg_endo . . . . . 0 C--N 1.297 -2.181 0 C-N-CA 123.214 2.609 . . . . 0.0 110.958 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.073 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.545 1.911 2 C5'-C4'-C3' 107.516 -5.323 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.073 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.156 2 C5'-C4'-C3' 108.554 -4.631 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.728 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.309 1 C5'-C4'-C3' 107.915 -5.056 . 0.084 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.656 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.17 1 C5'-C4'-C3' 108.579 -4.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.805 ' N4 ' ' CZ ' ' 1' ' 1' ' ' ARG . . . . . . . . 0 O4'--C1' 1.442 2.365 1 C5'-C4'-C3' 108.458 -4.695 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.829 ' C6 ' ' NH2' ' 1' ' 1' ' ' ARG . . . . . . . . 0 O4'--C1' 1.441 2.236 1 C5'-C4'-C3' 107.021 -5.653 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.809 H5'' " C2'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.554 2.733 2 C5'-C4'-C3' 107.414 -5.391 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.992 " H3'" ' OP2' ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.032 3 C5'-C4'-C3' 107.968 -5.021 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.553 " O4'" ' O2 ' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.786 2 C5'-C4'-C3' 107.625 -5.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.813 H5'' " C2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.943 2 C5'-C4'-C3' 107.169 -5.554 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.754 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 C5'-C4'-C3' 108.323 -4.785 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.834 " C2'" H5'' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.5 -2.158 1 C5'-C4'-C3' 107.414 -5.391 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.834 H5'' " C2'" ' 2' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.906 1 C5'-C4'-C3' 106.196 -6.203 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.701 ' C6 ' ' N7 ' ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.847 2 C5'-C4'-C3' 108.438 -4.708 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.834 ' N1 ' ' NE ' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.881 2 C5'-C4'-C3' 107.262 -5.492 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.732 " H3'" ' C6 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.907 2 C5'-C4'-C3' 107.416 -5.389 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.946 " C1'" H5'' ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.884 2 C5'-C4'-C3' 107.638 -5.242 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 21' ' ' ' A' . . . . . 1.082 " O2'" ' H8 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.983 2 C5'-C4'-C3' 106.239 -6.174 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 22' ' ' ' G' . . . . . 1.082 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.867 2 C5'-C4'-C3' 108.457 -4.695 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.869 ' C6 ' " H2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.562 3.47 1 C5'-C4'-C3' 108.221 -4.852 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.607 ' O4 ' ' C4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.062 2 C5'-C4'-C3' 107.657 -5.229 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.601 " C1'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.198 1 C5'-C4'-C3' 108.219 -4.854 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.777 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.589 5.948 1 C5'-C4'-C3' 108.962 -4.359 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.777 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.551 2.423 0 C3'-C2'-C1' 105.082 3.98 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.604 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.498 1 C5'-C4'-C3' 108.683 -4.545 . 0.057 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.723 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.164 0 C5'-C4'-C3' 109.677 -3.882 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.723 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.366 1 C5'-C4'-C3' 108.647 -4.569 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.678 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.093 2 C5'-C4'-C3' 108.252 -4.832 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 1' ' ' ARG . . . . . 0.771 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 121.298 0.571 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 2' ' ' VAL . . . . . 0.637 ' C ' HH22 ' 1' ' 1' ' ' ARG . 10.7 t -145.83 117.05 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.319 -0.863 . . . . 0.0 108.783 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 3' ' ' ARG . . . . . 0.922 ' NH1' HG21 ' 1' ' 12' ' ' VAL . 0.4 OUTLIER -64.87 1.18 0.95 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.039 -1.038 . . . . 0.0 109.317 -179.716 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 4' ' ' THR . . . . . 0.657 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 20.4 m 26.38 71.35 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 109.42 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' 1' ' 7' ' ' LYS . 5.8 tpt180 -37.97 149.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.19 -0.944 . . . . 0.0 109.596 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . -45.23 -18.2 0.15 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 7' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 1.8 tppt? -141.18 -43.3 0.38 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.152 -1.205 . . . . 0.0 109.298 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . 0.495 ' H ' ' HB3' ' 1' ' 5' ' ' ARG . 0.0 OUTLIER -92.08 -159.01 0.62 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.495 -1.378 . . . . 0.0 109.934 -178.497 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 9' ' ' ARG . . . . . 0.962 ' O ' HD13 ' 1' ' 10' ' ' ILE . 30.6 ttm180 -137.84 142.49 40.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.85 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 10' ' ' ILE . . . . . 0.962 HD13 ' O ' ' 1' ' 9' ' ' ARG . 3.4 mm -139.09 95.68 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.19 -0.944 . . . . 0.0 109.391 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -75.53 137.14 40.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.11 -0.994 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 12' ' ' VAL . . . . . 0.922 HG21 ' NH1' ' 1' ' 3' ' ' ARG . 86.9 t -141.42 82.99 13.81 Favored Pre-proline 0 N--CA 1.494 1.748 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 52.6 Cg_exo 77.65 -122.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.598 2.199 . . . . 0.0 110.393 -176.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.299 -2.062 0 C-N-CA 123.184 2.59 . . . . 0.0 110.936 178.866 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' 1' 1 ' 1' ' ' ARG . . . . . 0.581 ' HD3' HG13 ' 1' ' 12' ' ' VAL . 4.2 mtp180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.246 0.546 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 36.8 t -150.75 60.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 0.0 108.779 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 3' ' ' ARG . . . . . 0.485 ' HG2' ' NH1' ' 1' ' 3' ' ' ARG . 0.2 OUTLIER -47.42 142.96 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.026 -1.046 . . . . 0.0 109.32 -178.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 4' ' ' THR . . . . . 0.741 ' O ' ' OG1' ' 1' ' 4' ' ' THR . 0.4 OUTLIER -124.97 59.36 1.23 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 0.0 109.402 179.541 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . 0.603 ' O ' ' N ' ' 1' ' 7' ' ' LYS . 50.9 mtt180 -40.73 101.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.0 109.561 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 6' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 51.41 -83.57 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 7' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 27.4 mttt -116.64 -35.89 4.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.152 -1.205 . . . . 0.0 109.223 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -53.45 164.42 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.982 -1.074 . . . . 0.0 109.931 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -141.98 97.46 3.14 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.224 -0.923 . . . . 0.0 109.823 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 10' ' ' ILE . . . . . 0.528 ' N ' HD13 ' 1' ' 10' ' ' ILE . 3.2 mm -90.51 142.94 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 109.417 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.72 125.59 36.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 12' ' ' VAL . . . . . 0.581 HG13 ' HD3' ' 1' ' 1' ' ' ARG . 0.2 OUTLIER -142.91 100.77 5.41 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.293 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 51.5 Cg_exo 77.15 -126.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.602 2.202 . . . . 0.0 110.36 -175.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo . . . . . 0 C--N 1.298 -2.107 0 C-N-CA 123.224 2.616 . . . . 0.0 110.889 179.045 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' 1' 1 ' 1' ' ' ARG . . . . . 0.909 HH12 HG11 ' 1' ' 12' ' ' VAL . 2.3 tmm_? . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.229 0.538 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.02 135.82 62.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.852 . . . . 0.0 108.847 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 3' ' ' ARG . . . . . 0.9 HH12 ' NH1' ' 1' ' 1' ' ' ARG . 66.5 mtm-85 -93.38 93.98 8.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.079 -1.013 . . . . 0.0 109.352 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 4' ' ' THR . . . . . 0.718 ' CG2' ' HE ' ' 1' ' 9' ' ' ARG . 3.1 p -63.62 54.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.367 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . 0.631 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 6.0 ttt-85 -40.45 119.5 1.09 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.6 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . 42.13 -92.11 0.01 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 7' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 47.8 mttp -122.55 -6.84 8.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -1.188 . . . . 0.0 109.297 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . 0.463 ' HG2' HH11 ' 1' ' 8' ' ' ARG . 18.0 mmt-85 -82.95 176.33 9.36 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.743 -1.223 . . . . 0.0 110.011 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 9' ' ' ARG . . . . . 0.718 ' HE ' ' CG2' ' 1' ' 4' ' ' THR . 13.4 mmt85 -140.46 112.38 7.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.165 -0.96 . . . . 0.0 109.8 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 10' ' ' ILE . . . . . 0.411 HD12 HG23 ' 1' ' 10' ' ' ILE . 6.5 mm -110.33 86.21 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.36 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -54.73 141.84 30.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.198 -0.939 . . . . 0.0 110.059 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 12' ' ' VAL . . . . . 0.909 HG11 HH12 ' 1' ' 1' ' ' ARG . 54.6 t -149.23 81.06 7.58 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 13' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.573 36.0 Cg_exo 73.67 -121.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.568 2.179 . . . . 0.0 110.301 -177.126 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 14' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' 1' ' 13' ' ' PRO . 82.0 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.263 2.642 . . . . 0.0 110.976 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 1' ' ' ARG . . . . . 0.585 ' O ' ' N ' ' 1' ' 12' ' ' VAL . 7.0 mtm-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.237 0.542 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 2' ' ' VAL . . . . . 0.814 ' O ' HG23 ' 1' ' 2' ' ' VAL . 18.2 m -138.25 91.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.314 -0.866 . . . . 0.0 108.795 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 3' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' 1' ' 5' ' ' ARG . 28.4 mtm180 -55.51 81.3 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.071 -1.018 . . . . 0.0 109.332 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 4' ' ' THR . . . . . 0.611 ' N ' ' O ' ' 1' ' 2' ' ' VAL . 42.5 m -60.9 81.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 0.0 109.382 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . 0.501 ' O ' ' O ' ' 1' ' 4' ' ' THR . 4.4 mmt85 -39.34 -92.12 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.627 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.6 -62.32 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -100.93 7.93 43.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.091 -1.241 . . . . 0.0 109.28 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -135.64 -161.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.899 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 9' ' ' ARG . . . . . 0.554 ' NH1' HG21 ' 1' ' 2' ' ' VAL . 26.6 ttm-85 -165.1 112.63 1.0 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.845 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 10' ' ' ILE . . . . . 0.449 ' N ' HD13 ' 1' ' 10' ' ' ILE . 6.0 mm -94.43 164.5 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.14 -0.975 . . . . 0.0 109.321 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 11' ' ' ARG . . . . . 0.569 ' HD3' HG12 ' 1' ' 2' ' ' VAL . 7.4 tpp85 -120.57 123.23 42.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 0.0 110.009 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 12' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' 1' ' 1' ' ' ARG . 59.8 t -125.2 84.65 59.23 Favored Pre-proline 0 N--CA 1.494 1.735 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 13' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.573 30.8 Cg_endo 48.88 -102.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.542 2.162 . . . . 0.0 110.328 -177.508 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 14' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' 1' ' 13' ' ' PRO . 79.1 Cg_endo . . . . . 0 C--N 1.297 -2.134 0 C-N-CA 123.197 2.598 . . . . 0.0 110.991 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 1' ' ' ARG . . . . . 0.796 HH22 ' CA ' ' 1' ' 3' ' ' ARG . 1.1 ptm180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.302 0.572 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 2' ' ' VAL . . . . . 0.415 ' C ' HH22 ' 1' ' 1' ' ' ARG . 0.7 OUTLIER -126.82 114.17 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.284 -0.885 . . . . 0.0 108.808 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 3' ' ' ARG . . . . . 0.796 ' CA ' HH22 ' 1' ' 1' ' ' ARG . 4.2 ttp180 -101.9 41.9 1.18 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.099 -1.001 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 4' ' ' THR . . . . . 0.474 HG23 ' O ' ' 1' ' 4' ' ' THR . 6.6 t -43.1 126.52 4.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -69.44 -64.81 0.81 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.563 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.36 0.02 OUTLIER Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -99.9 -12.04 20.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -1.207 . . . . 0.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . 0.447 ' HB3' HH11 ' 1' ' 8' ' ' ARG . 2.2 mmm180 -101.0 -158.3 0.66 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.431 -1.418 . . . . 0.0 109.966 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 9' ' ' ARG . . . . . 0.98 ' O ' HD13 ' 1' ' 10' ' ' ILE . 22.7 ttt180 -146.39 147.81 31.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.79 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 10' ' ' ILE . . . . . 0.98 HD13 ' O ' ' 1' ' 9' ' ' ARG . 3.6 mm -139.27 72.89 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.153 -0.967 . . . . 0.0 109.362 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -59.86 134.87 57.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.221 -0.924 . . . . 0.0 110.044 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 12' ' ' VAL . . . . . 0.622 HG21 ' NH2' ' 1' ' 3' ' ' ARG . 61.5 t -138.86 87.16 14.69 Favored Pre-proline 0 N--CA 1.493 1.724 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 13' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.572 51.9 Cg_exo 80.63 -124.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.52 2.147 . . . . 0.0 110.326 -175.738 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 14' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' 1' ' 13' ' ' PRO . 73.8 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.232 2.621 . . . . 0.0 110.937 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 1' ' ' ARG . . . . . 0.587 ' CG ' ' H ' ' 1' ' 2' ' ' VAL . 11.4 ttp-105 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.304 0.573 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 2' ' ' VAL . . . . . 0.629 ' O ' HG13 ' 1' ' 2' ' ' VAL . 5.4 p -171.56 84.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.271 -0.893 . . . . 0.0 108.875 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 3' ' ' ARG . . . . . 0.78 ' CD ' ' H ' ' 1' ' 3' ' ' ARG . 0.0 OUTLIER -79.86 140.66 36.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.123 -0.986 . . . . 0.0 109.338 -178.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 4' ' ' THR . . . . . 0.465 ' C ' ' H ' ' 1' ' 6' ' ' GLY . 3.2 m -95.72 107.17 19.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.277 -0.889 . . . . 0.0 109.42 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -70.79 10.77 0.46 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.991 . . . . 0.0 109.614 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 6' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' 1' ' 4' ' ' THR . . . 80.25 -85.71 1.31 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -62.39 -33.89 75.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.088 -1.242 . . . . 0.0 109.274 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . 0.764 HH11 ' CG ' ' 1' ' 8' ' ' ARG . 0.0 OUTLIER -134.92 -152.24 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.414 -0.804 . . . . 0.0 109.995 179.559 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 9' ' ' ARG . . . . . 0.725 ' CG ' ' H ' ' 1' ' 10' ' ' ILE . 6.5 ttp180 -160.07 -175.32 5.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.197 -0.939 . . . . 0.0 109.905 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 10' ' ' ILE . . . . . 0.725 ' H ' ' CG ' ' 1' ' 9' ' ' ARG . 0.2 OUTLIER -177.11 164.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.907 . . . . 0.0 109.329 179.09 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 11' ' ' ARG . . . . . 0.614 ' C ' HH12 ' 1' ' 3' ' ' ARG . 10.1 mmm180 -128.72 149.38 50.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 110.018 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 12' ' ' VAL . . . . . 0.713 HG12 ' NH1' ' 1' ' 3' ' ' ARG . 3.4 p -147.8 85.68 6.48 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 5.0 Cg_exo 82.58 -127.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.516 2.144 . . . . 0.0 110.326 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo . . . . . 0 C--N 1.297 -2.143 0 C-N-CA 123.211 2.608 . . . . 0.0 110.957 178.588 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' 1' 1 ' 1' ' ' ARG . . . . . 0.616 ' NH1' ' CG1' ' 1' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.239 0.542 . . . . 0.0 109.611 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 2' ' ' VAL . . . . . 0.594 ' CG1' ' HE ' ' 1' ' 9' ' ' ARG . 0.8 OUTLIER -81.45 110.98 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.302 -0.874 . . . . 0.0 108.817 178.668 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 3' ' ' ARG . . . . . 0.465 HH11 ' HD2' ' 1' ' 3' ' ' ARG . 0.0 OUTLIER -79.61 102.03 8.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.038 -1.039 . . . . 0.0 109.283 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 4' ' ' THR . . . . . . . . . . . . . 15.3 m -69.16 85.02 0.36 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -168.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.098 -1.001 . . . . 0.0 109.605 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 6' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' 1' ' 7' ' ' LYS . . . -85.84 103.38 2.75 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 7' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' 1' ' 6' ' ' GLY . 0.4 OUTLIER 78.33 4.89 2.67 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.153 -1.204 . . . . 0.0 109.315 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' 1' ' 8' ' ' ARG . 9.9 mmt-85 -139.26 -162.84 1.38 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.546 -0.722 . . . . 0.0 109.91 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 9' ' ' ARG . . . . . 0.594 ' HE ' ' CG1' ' 1' ' 2' ' ' VAL . 4.1 ttt180 -161.29 106.91 1.36 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.15 -0.969 . . . . 0.0 109.803 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 10' ' ' ILE . . . . . 0.537 ' N ' HD13 ' 1' ' 10' ' ' ILE . 2.7 mm -93.49 171.51 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.177 -0.952 . . . . 0.0 109.32 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 11' ' ' ARG . . . . . 0.413 ' H ' HG22 ' 1' ' 10' ' ' ILE . 14.7 ttm180 -139.12 139.9 37.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.151 -0.968 . . . . 0.0 110.05 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 12' ' ' VAL . . . . . 0.616 ' CG1' ' NH1' ' 1' ' 1' ' ' ARG . 12.5 t -149.8 82.76 6.53 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 64.2 Cg_exo 84.93 -128.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.535 2.156 . . . . 0.0 110.298 -176.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.298 -2.103 0 C-N-CA 123.146 2.564 . . . . 0.0 110.907 -179.679 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' 1' 1 ' 1' ' ' ARG . . . . . 0.964 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.29 0.567 . . . . 0.0 109.56 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.92 116.12 51.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.282 -0.886 . . . . 0.0 108.828 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 3' ' ' ARG . . . . . 0.964 ' N ' HH22 ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -88.15 64.77 7.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.355 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 4' ' ' THR . . . . . 0.408 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 93.9 m -45.09 89.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.173 -0.954 . . . . 0.0 109.431 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 23.6 ttt-85 -64.8 -153.42 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.224 -0.923 . . . . 0.0 109.59 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 6' ' ' GLY . . . . . 0.41 ' H ' ' HG2' ' 1' ' 5' ' ' ARG . . . -58.93 -100.63 0.01 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -91.7 -1.88 57.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.122 -1.223 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -97.92 -155.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.337 -0.852 . . . . 0.0 109.961 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -176.88 91.87 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 mp -96.07 150.83 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.356 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -121.18 156.15 33.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.111 -0.993 . . . . 0.0 110.044 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 12' ' ' VAL . . . . . 0.521 HG12 ' O ' ' 1' ' 12' ' ' VAL . 20.9 t -152.22 86.79 4.36 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.57 75.6 Cg_exo 84.96 -131.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.549 2.166 . . . . 0.0 110.275 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.297 -2.133 0 C-N-CA 123.236 2.624 . . . . 0.0 110.935 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' 1' 1 ' 1' ' ' ARG . . . . . 0.615 ' CG ' HG23 ' 1' ' 12' ' ' VAL . 5.7 ptm180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.321 0.581 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 2' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' 1' ' 11' ' ' ARG . 4.9 t -74.27 134.06 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.294 -0.879 . . . . 0.0 108.823 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 3' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -145.68 53.37 1.17 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.259 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 4' ' ' THR . . . . . 0.477 ' HB ' HH22 ' 1' ' 11' ' ' ARG . 3.7 t -52.01 141.82 17.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 0.0 109.433 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -84.03 21.42 1.35 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.125 -0.984 . . . . 0.0 109.538 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.56 -75.3 0.56 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -94.81 -25.92 16.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.176 -1.191 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . 0.493 ' HG3' HH11 ' 1' ' 8' ' ' ARG . 6.9 mtt85 -94.73 -145.88 0.26 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.986 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 9' ' ' ARG . . . . . 0.413 ' H ' ' HB3' ' 1' ' 8' ' ' ARG . 42.8 ttt-85 -165.73 100.76 0.68 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.165 -0.959 . . . . 0.0 109.834 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 10' ' ' ILE . . . . . 0.58 ' O ' ' NE ' ' 1' ' 11' ' ' ARG . 1.3 mp -108.06 142.77 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.227 -0.921 . . . . 0.0 109.342 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 11' ' ' ARG . . . . . 0.58 ' NE ' ' O ' ' 1' ' 10' ' ' ILE . 0.6 OUTLIER -130.1 152.91 49.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.195 -0.941 . . . . 0.0 110.021 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 12' ' ' VAL . . . . . 0.615 HG23 ' CG ' ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -154.42 87.73 3.47 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.476 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 13' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' 1' ' 12' ' ' VAL 2.573 5.4 Cg_exo 81.3 -135.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.552 2.168 . . . . 0.0 110.324 -174.695 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--N 1.297 -2.164 0 C-N-CA 123.277 2.651 . . . . 0.0 110.947 178.698 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' 1' 1 ' 1' ' ' ARG . . . . . 0.672 ' HD3' HG13 ' 1' ' 12' ' ' VAL . 2.1 mtp180 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.25 0.548 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 2.3 t -148.99 70.57 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.369 -0.832 . . . . 0.0 108.852 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 3' ' ' ARG . . . . . 0.895 ' NH2' HG12 ' 1' ' 12' ' ' VAL . 10.3 mtm-85 -75.61 90.07 2.78 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.054 -1.029 . . . . 0.0 109.345 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 4' ' ' THR . . . . . 0.608 ' O ' ' N ' ' 1' ' 6' ' ' GLY . 81.1 p -57.67 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.244 -0.91 . . . . 0.0 109.397 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 5' ' ' ARG . . . . . 0.589 ' H ' ' C ' ' 1' ' 3' ' ' ARG . 22.4 ttt180 39.13 23.62 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 6' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 92.91 -100.85 2.71 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' 1' ' 8' ' ' ARG . 5.0 pttp -86.31 -50.91 6.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.221 -1.164 . . . . 0.0 109.208 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 8' ' ' ARG . . . . . 0.426 ' H ' ' HG3' ' 1' ' 7' ' ' LYS . 10.6 mmt-85 -59.79 -155.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.928 -1.108 . . . . 0.0 109.948 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 9' ' ' ARG . . . . . 0.477 ' NE ' HG22 ' 1' ' 4' ' ' THR . 13.9 ttm180 -170.42 113.63 0.45 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 0.0 109.814 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.3 124.46 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.174 -0.954 . . . . 0.0 109.4 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -111.26 151.08 28.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.982 . . . . 0.0 110.01 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 12' ' ' VAL . . . . . 0.895 HG12 ' NH2' ' 1' ' 3' ' ' ARG . 7.4 p -147.83 94.66 4.32 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.571 78.5 Cg_exo 85.55 -128.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.617 2.212 . . . . 0.0 110.358 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo . . . . . 0 C--N 1.297 -2.181 0 C-N-CA 123.214 2.609 . . . . 0.0 110.958 179.35 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' 1' 1 ' 1' ' ' ARG . . . . . 0.771 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 121.298 0.571 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 2' ' ' VAL . . . . . 0.637 ' C ' HH22 ' 1' ' 1' ' ' ARG . 10.7 t -145.83 117.05 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.319 -0.863 . . . . 0.0 108.783 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 3' ' ' ARG . . . . . 0.922 ' NH1' HG21 ' 1' ' 12' ' ' VAL . 0.4 OUTLIER -64.87 1.18 0.95 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.039 -1.038 . . . . 0.0 109.317 -179.716 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 4' ' ' THR . . . . . 0.657 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 20.4 m 26.38 71.35 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 109.42 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' 1' ' 7' ' ' LYS . 5.8 tpt180 -37.97 149.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.19 -0.944 . . . . 0.0 109.596 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . -45.23 -18.2 0.15 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 7' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 1.8 tppt? -141.18 -43.3 0.38 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.152 -1.205 . . . . 0.0 109.298 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . 0.707 ' NE ' ' C2 ' ' 2' ' 18' ' ' ' A' . 0.0 OUTLIER -92.08 -159.01 0.62 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.495 -1.378 . . . . 0.0 109.934 -178.497 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 9' ' ' ARG . . . . . 0.962 ' O ' HD13 ' 1' ' 10' ' ' ILE . 30.6 ttm180 -137.84 142.49 40.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.85 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 10' ' ' ILE . . . . . 0.962 HD13 ' O ' ' 1' ' 9' ' ' ARG . 3.4 mm -139.09 95.68 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.19 -0.944 . . . . 0.0 109.391 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -75.53 137.14 40.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.11 -0.994 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 12' ' ' VAL . . . . . 0.922 HG21 ' NH1' ' 1' ' 3' ' ' ARG . 86.9 t -141.42 82.99 13.81 Favored Pre-proline 0 N--CA 1.494 1.748 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 52.6 Cg_exo 77.65 -122.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.598 2.199 . . . . 0.0 110.393 -176.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.299 -2.062 0 C-N-CA 123.184 2.59 . . . . 0.0 110.936 178.866 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.032 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.784 2 C5'-C4'-C3' 107.61 -5.26 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.032 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.074 2 C5'-C4'-C3' 108.686 -4.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.694 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.358 1 C5'-C4'-C3' 107.985 -5.01 . 0.093 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.6 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.241 1 C5'-C4'-C3' 108.892 -4.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.65 " H2'" ' C8 ' ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.36 1 C5'-C4'-C3' 109.243 -4.172 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.898 " C3'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.265 1 C5'-C4'-C3' 109.01 -4.327 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.947 ' O2 ' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.133 2 C5'-C4'-C3' 107.913 -5.058 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.999 " O2'" H5'' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.041 2 C5'-C4'-C3' 105.974 -6.351 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.508 " O4'" ' O2 ' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.779 2 C5'-C4'-C3' 107.546 -5.303 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.999 H5'' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.917 2 C5'-C4'-C3' 109.013 -4.325 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.966 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.547 2.132 1 C3'-C2'-C1' 105.743 4.714 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.468 ' C4 ' ' C4 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.918 1 C5'-C4'-C3' 107.669 -5.221 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.255 ' O2 ' ' H5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.563 3.586 1 C5'-C4'-C3' 107.432 -5.379 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.255 ' H5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.862 2 C5'-C4'-C3' 107.542 -5.305 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.915 ' C8 ' " O2'" ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.895 2 C3'-C2'-C1' 105.838 4.82 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.81 " C5'" " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.911 2 C5'-C4'-C3' 106.95 -5.7 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.872 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.825 1 C5'-C4'-C3' 107.389 -5.408 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.788 H5'' " C4'" ' 2' ' 20' ' ' ' U' . . . . . . . . 1 C4'--C3' 1.474 -4.54 2 C5'-C4'-C3' 106.095 -6.27 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.742 " O2'" ' P ' ' 2' ' 23' ' ' ' C' . . . . . . . . 1 C4'--C3' 1.591 6.109 1 C3'-C2'-C1' 105.504 4.449 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.742 ' P ' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.986 0 C5'-C4'-C3' 109.527 -3.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.566 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.013 2 C5'-C4'-C3' 107.605 -5.264 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.566 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.236 1 C5'-C4'-C3' 107.631 -5.246 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.89 " O2'" " H5'" ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.572 4.409 1 C5'-C4'-C3' 108.305 -4.797 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.89 " H5'" " O2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.827 1 C3'-C2'-C1' 105.135 4.039 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.563 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.507 1 C5'-C4'-C3' 109.347 -4.102 . 0.447 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.655 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.55 2.382 0 C3'-C2'-C1' 105.036 3.929 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.655 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.4 1 C5'-C4'-C3' 109.144 -4.237 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.618 ' C6 ' " H2'" ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.551 2.478 2 C3'-C2'-C1' 105.79 4.767 . 0.186 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 1' ' ' ARG . . . . . 0.914 ' NH2' ' C6 ' ' 2' ' 9' ' ' ' G' . 4.2 mtp180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.246 0.546 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 36.8 t -150.75 60.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 0.0 108.779 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 3' ' ' ARG . . . . . 0.829 ' NH2' ' N7 ' ' 2' ' 11' ' ' ' G' . 0.2 OUTLIER -47.42 142.96 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.026 -1.046 . . . . 0.0 109.32 -178.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 4' ' ' THR . . . . . 0.741 ' OG1' ' O ' ' 1' ' 4' ' ' THR . 0.4 OUTLIER -124.97 59.36 1.23 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 0.0 109.402 179.541 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . 0.688 ' HE ' " C2'" ' 2' ' 10' ' ' ' U' . 50.9 mtt180 -40.73 101.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.0 109.561 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 6' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 51.41 -83.57 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 7' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 27.4 mttt -116.64 -35.89 4.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.152 -1.205 . . . . 0.0 109.223 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . 0.7 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 5.6 mmt85 -53.45 164.42 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.982 -1.074 . . . . 0.0 109.931 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 9' ' ' ARG . . . . . 0.634 ' CG ' " O2'" ' 2' ' 20' ' ' ' U' . 15.8 mmm-85 -141.98 97.46 3.14 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.224 -0.923 . . . . 0.0 109.823 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 10' ' ' ILE . . . . . 0.528 ' N ' HD13 ' 1' ' 10' ' ' ILE . 3.2 mm -90.51 142.94 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 109.417 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.72 125.59 36.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 12' ' ' VAL . . . . . 0.581 HG13 ' HD3' ' 1' ' 1' ' ' ARG . 0.2 OUTLIER -142.91 100.77 5.41 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.293 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 51.5 Cg_exo 77.15 -126.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.602 2.202 . . . . 0.0 110.36 -175.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.494 ' O ' ' OP2' ' 2' ' 8' ' ' ' C' . 89.9 Cg_endo . . . . . 0 C--N 1.298 -2.107 0 C-N-CA 123.224 2.616 . . . . 0.0 110.889 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.048 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.794 2 C5'-C4'-C3' 107.239 -5.507 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.048 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.1 2 C5'-C4'-C3' 108.582 -4.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.723 " H5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.365 1 C5'-C4'-C3' 108.178 -4.881 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.571 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.224 0 C3'-C2'-C1' 104.987 3.874 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.999 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.541 1 C5'-C4'-C3' 108.549 -4.634 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 9' ' ' ' G' . . . . . 1.013 " H2'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.364 1 C5'-C4'-C3' 108.265 -4.823 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 10' ' ' ' U' . . . . . 1.013 H5'' " H2'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.563 3.501 2 C5'-C4'-C3' 108.671 -4.553 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.964 " O2'" H5'' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.092 2 C5'-C4'-C3' 107.709 -5.194 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.859 2 C5'-C4'-C3' 107.975 -5.017 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.964 H5'' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.867 2 C3'-C2'-C1' 105.358 4.287 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.922 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 1 C4'--C3' 1.576 4.745 1 C3'-C2'-C1' 105.728 4.698 OUTLIER-EPSILON 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear build full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.73 ' P ' " O2'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 108.738 -4.508 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.972 ' O2 ' ' C5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.552 2.513 1 C5'-C4'-C3' 107.975 -5.017 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.972 ' C5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.555 2.85 2 C5'-C4'-C3' 107.878 -5.082 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.795 " H4'" " H5'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.88 2 C5'-C4'-C3' 107.613 -5.258 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.972 " H4'" ' OP1' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.965 2 C5'-C4'-C3' 107.081 -5.612 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.979 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.435 1.752 1 C5'-C4'-C3' 107.457 -5.362 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.815 H5'' " C1'" ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.862 2 C5'-C4'-C3' 106.988 -5.675 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.966 " O2'" H5'' ' 2' ' 23' ' ' ' C' . . . . . . . . 1 C4'--C3' 1.57 4.161 2 C5'-C4'-C3' 107.894 -5.071 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear build full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.966 H5'' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.996 1 C5'-C4'-C3' 108.664 -4.558 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.64 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.994 1 C5'-C4'-C3' 107.905 -5.063 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.701 ' C4 ' ' C5 ' ' 2' ' 26' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.231 1 C5'-C4'-C3' 108.137 -4.909 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.848 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.594 6.385 1 C5'-C4'-C3' 109.288 -4.142 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear build full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.852 ' H1 ' ' NH2' ' 1' ' 1' ' ' ARG . . . . . . . . 0 C4'--C3' 1.564 3.597 1 C3'-C2'-C1' 105.106 4.007 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.486 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.446 2.636 0 C5'-C4'-C3' 109.691 -3.872 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.578 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.314 0 C3'-C2'-C1' 104.964 3.848 . 0.614 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.618 ' N4 ' ' N4 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.436 1 C5'-C4'-C3' 108.893 -4.405 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.618 ' N4 ' ' N4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.553 2.614 2 C3'-C2'-C1' 105.872 4.857 . 0.108 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 1' ' ' ARG . . . . . 0.909 HH12 HG11 ' 1' ' 12' ' ' VAL . 2.3 tmm_? . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.229 0.538 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.02 135.82 62.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.852 . . . . 0.0 108.847 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 3' ' ' ARG . . . . . 0.9 HH12 ' NH1' ' 1' ' 1' ' ' ARG . 66.5 mtm-85 -93.38 93.98 8.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.079 -1.013 . . . . 0.0 109.352 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 4' ' ' THR . . . . . 0.718 ' CG2' ' HE ' ' 1' ' 9' ' ' ARG . 3.1 p -63.62 54.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.367 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . 0.631 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 6.0 ttt-85 -40.45 119.5 1.09 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.6 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . 42.13 -92.11 0.01 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 7' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 47.8 mttp -122.55 -6.84 8.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -1.188 . . . . 0.0 109.297 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . 0.807 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 18.0 mmt-85 -82.95 176.33 9.36 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.743 -1.223 . . . . 0.0 110.011 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 9' ' ' ARG . . . . . 0.718 ' HE ' ' CG2' ' 1' ' 4' ' ' THR . 13.4 mmt85 -140.46 112.38 7.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.165 -0.96 . . . . 0.0 109.8 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 10' ' ' ILE . . . . . 0.6 HG13 ' H5 ' ' 2' ' 10' ' ' ' U' . 6.5 mm -110.33 86.21 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.36 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -54.73 141.84 30.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.198 -0.939 . . . . 0.0 110.059 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 12' ' ' VAL . . . . . 0.909 HG11 HH12 ' 1' ' 1' ' ' ARG . 54.6 t -149.23 81.06 7.58 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 13' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.573 36.0 Cg_exo 73.67 -121.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.568 2.179 . . . . 0.0 110.301 -177.126 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.476 ' CB ' ' OP2' ' 2' ' 7' ' ' ' U' . 82.0 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.263 2.642 . . . . 0.0 110.976 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.013 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.832 2 C5'-C4'-C3' 107.433 -5.378 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.013 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.977 2 C5'-C4'-C3' 108.658 -4.561 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.693 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.465 1 C5'-C4'-C3' 108.213 -4.858 . 0.095 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.492 " H2'" ' H6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.278 1 C5'-C4'-C3' 109.139 -4.241 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.941 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.372 0 C5'-C4'-C3' 109.549 -3.967 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.941 " H5'" " O2'" ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.37 1 C5'-C4'-C3' 108.394 -4.737 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.681 ' N3 ' ' N7 ' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.228 2 C5'-C4'-C3' 108.241 -4.84 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.72 " O2'" " H5'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.066 2 C5'-C4'-C3' 106.264 -6.158 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.5 ' P ' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.801 2 C5'-C4'-C3' 107.544 -5.304 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.814 " H2'" " O4'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.853 2 C5'-C4'-C3' 106.95 -5.7 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.814 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.882 2 C3'-C2'-C1' 105.788 4.764 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.604 ' C4 ' ' C4 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.909 1 C5'-C4'-C3' 108.393 -4.738 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.832 H5'' ' H6 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.865 1 C5'-C4'-C3' 106.313 -6.125 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.969 H5'' ' O2 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.432 -1.77 2 C5'-C4'-C3' 107.446 -5.369 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' 2' 2 ' 18' ' ' ' A' . . . . . 1.03 " H4'" " H5'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.846 2 C5'-C4'-C3' 107.613 -5.258 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' 2' 2 ' 19' ' ' ' U' . . . . . 1.03 " H5'" " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.886 2 C5'-C4'-C3' 108.011 -4.993 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.925 " C1'" H5'' ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.821 1 C5'-C4'-C3' 107.845 -5.104 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.925 H5'' " C1'" ' 2' ' 20' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.501 -2.105 2 C5'-C4'-C3' 106.395 -6.07 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.762 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.432 -1.778 2 C5'-C4'-C3' 107.06 -5.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.654 ' N4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.01 1 C5'-C4'-C3' 108.344 -4.771 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.654 ' O4 ' ' N4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.561 3.338 2 C5'-C4'-C3' 108.124 -4.917 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.595 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.288 1 C5'-C4'-C3' 108.163 -4.891 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.847 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.59 6.044 1 C5'-C4'-C3' 108.663 -4.558 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear build full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.847 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.565 3.744 1 C3'-C2'-C1' 105.142 4.047 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.529 " H5'" " O2'" ' 2' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.572 0 O4'-C1'-N19 112.104 3.904 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.658 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.322 0 C3'-C2'-C1' 105.012 3.902 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.658 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.432 1 C5'-C4'-C3' 108.976 -4.35 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.633 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.55 2.376 2 C3'-C2'-C1' 105.797 4.774 . 0.065 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 1' ' ' ARG . . . . . 0.658 ' NH1' ' C5 ' ' 2' ' 8' ' ' ' C' . 7.0 mtm-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.237 0.542 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 2' ' ' VAL . . . . . 0.814 ' O ' HG23 ' 1' ' 2' ' ' VAL . 18.2 m -138.25 91.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.314 -0.866 . . . . 0.0 108.795 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 3' ' ' ARG . . . . . 0.845 ' NH1' ' N7 ' ' 2' ' 11' ' ' ' G' . 28.4 mtm180 -55.51 81.3 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.071 -1.018 . . . . 0.0 109.332 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 4' ' ' THR . . . . . 0.611 ' N ' ' O ' ' 1' ' 2' ' ' VAL . 42.5 m -60.9 81.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 0.0 109.382 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . 0.675 ' HE ' " C2'" ' 2' ' 10' ' ' ' U' . 4.4 mmt85 -39.34 -92.12 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.627 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.6 -62.32 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -100.93 7.93 43.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.091 -1.241 . . . . 0.0 109.28 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . 0.675 ' NE ' ' C2 ' ' 2' ' 18' ' ' ' A' . 30.4 mmt-85 -135.64 -161.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.899 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 9' ' ' ARG . . . . . 0.979 ' O ' " H5'" ' 2' ' 21' ' ' ' A' . 26.6 ttm-85 -165.1 112.63 1.0 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.845 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 10' ' ' ILE . . . . . 0.494 HD12 ' O6 ' ' 2' ' 22' ' ' ' G' . 6.0 mm -94.43 164.5 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.14 -0.975 . . . . 0.0 109.321 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 11' ' ' ARG . . . . . 0.569 ' HD3' HG12 ' 1' ' 2' ' ' VAL . 7.4 tpp85 -120.57 123.23 42.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 0.0 110.009 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 12' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' 1' ' 1' ' ' ARG . 59.8 t -125.2 84.65 59.23 Favored Pre-proline 0 N--CA 1.494 1.735 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 13' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.573 30.8 Cg_endo 48.88 -102.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.542 2.162 . . . . 0.0 110.328 -177.508 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' 1' ' 13' ' ' PRO . 79.1 Cg_endo . . . . . 0 C--N 1.297 -2.134 0 C-N-CA 123.197 2.598 . . . . 0.0 110.991 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.056 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.809 2 C5'-C4'-C3' 107.258 -5.495 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.056 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.134 2 C3'-C2'-C1' 105.51 4.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.702 " H5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.389 1 C5'-C4'-C3' 108.067 -4.955 . 0.104 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.546 " H2'" ' H6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.248 1 C5'-C4'-C3' 109.476 -4.016 . 0.012 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.807 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.328 1 C5'-C4'-C3' 109.09 -4.273 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.807 " H5'" " O2'" ' 2' ' 8' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.805 1 C5'-C4'-C3' 109.257 -4.162 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.798 ' C4 ' ' NH1' ' 1' ' 3' ' ' ARG . . . . . . . . 0 C4'--C3' 1.552 2.578 2 C5'-C4'-C3' 106.644 -5.904 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' 2' 2 ' 11' ' ' ' G' . . . . . 1.107 " O2'" H5'' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.557 2.994 2 C5'-C4'-C3' 107.08 -5.613 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.623 " H4'" " O5'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.432 -1.762 2 C5'-C4'-C3' 107.61 -5.26 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' 2' 2 ' 13' ' ' ' A' . . . . . 1.107 H5'' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.828 2 C3'-C2'-C1' 105.389 4.321 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.843 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.943 2 C3'-C2'-C1' 105.788 4.765 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.549 " H2'" ' C6 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.961 2 C5'-C4'-C3' 107.796 -5.136 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.158 ' O2 ' ' H5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.56 3.296 1 C5'-C4'-C3' 107.854 -5.097 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.158 ' H5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.836 2 C5'-C4'-C3' 107.872 -5.085 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.807 ' N3 ' ' H5 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.94 2 C3'-C2'-C1' 105.865 4.849 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.785 H5'' " C4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.964 2 C5'-C4'-C3' 107.111 -5.593 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' 2' 2 ' 20' ' ' ' U' . . . . . 1.093 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.859 2 C5'-C4'-C3' 107.685 -5.21 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.979 " H5'" ' O ' ' 1' ' 9' ' ' ARG . . . . . . . . 1 C4'--C3' 1.474 -4.567 2 C5'-C4'-C3' 106.027 -6.315 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.675 ' C8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.564 3.666 2 C5'-C4'-C3' 107.232 -5.512 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.657 ' C5 ' ' C4 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.904 1 C5'-C4'-C3' 108.893 -4.405 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.682 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.935 2 C5'-C4'-C3' 108.058 -4.962 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.682 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.199 1 C5'-C4'-C3' 108.315 -4.79 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.856 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.583 5.4 1 C5'-C4'-C3' 108.86 -4.427 OUTLIER-EPSILON 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.856 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.813 1 C3'-C2'-C1' 105.123 4.025 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.517 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.586 1 C5'-C4'-C3' 109.23 -4.18 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.582 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.222 0 C3'-C2'-C1' 105.029 3.922 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.615 ' N4 ' ' N4 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.444 2.472 1 C5'-C4'-C3' 108.915 -4.39 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.622 ' H42' ' H1 ' ' 2' ' 4' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.555 2.812 2 C3'-C2'-C1' 105.809 4.788 . 0.228 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 1' ' ' ARG . . . . . 0.796 HH22 ' CA ' ' 1' ' 3' ' ' ARG . 1.1 ptm180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.302 0.572 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 2' ' ' VAL . . . . . 0.415 ' C ' HH22 ' 1' ' 1' ' ' ARG . 0.7 OUTLIER -126.82 114.17 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.284 -0.885 . . . . 0.0 108.808 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 3' ' ' ARG . . . . . 0.796 ' CA ' HH22 ' 1' ' 1' ' ' ARG . 4.2 ttp180 -101.9 41.9 1.18 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.099 -1.001 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 4' ' ' THR . . . . . 0.474 HG23 ' O ' ' 1' ' 4' ' ' THR . 6.6 t -43.1 126.52 4.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . 0.656 ' NH2' ' C8 ' ' 2' ' 14' ' ' ' G' . 13.2 ttm180 -69.44 -64.81 0.81 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.563 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.36 0.02 OUTLIER Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -99.9 -12.04 20.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -1.207 . . . . 0.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . 0.885 ' NH2' ' C4 ' ' 2' ' 21' ' ' ' A' . 2.2 mmm180 -101.0 -158.3 0.66 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.431 -1.418 . . . . 0.0 109.966 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 9' ' ' ARG . . . . . 0.98 ' O ' HD13 ' 1' ' 10' ' ' ILE . 22.7 ttt180 -146.39 147.81 31.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.79 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 10' ' ' ILE . . . . . 0.98 HD13 ' O ' ' 1' ' 9' ' ' ARG . 3.6 mm -139.27 72.89 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.153 -0.967 . . . . 0.0 109.362 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -59.86 134.87 57.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.221 -0.924 . . . . 0.0 110.044 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 12' ' ' VAL . . . . . 0.622 HG21 ' NH2' ' 1' ' 3' ' ' ARG . 61.5 t -138.86 87.16 14.69 Favored Pre-proline 0 N--CA 1.493 1.724 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 13' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.572 51.9 Cg_exo 80.63 -124.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.52 2.147 . . . . 0.0 110.326 -175.738 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.486 ' HG2' " H3'" ' 2' ' 7' ' ' ' U' . 73.8 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.232 2.621 . . . . 0.0 110.937 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.042 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.771 2 C5'-C4'-C3' 108.353 -4.765 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.042 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.058 2 C5'-C4'-C3' 108.458 -4.695 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.728 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.454 1 C5'-C4'-C3' 107.824 -5.117 . 0.088 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.568 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.282 1 C5'-C4'-C3' 109.085 -4.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.669 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.461 1 C5'-C4'-C3' 109.171 -4.219 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.729 ' N3 ' ' N2 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.306 1 C5'-C4'-C3' 108.868 -4.422 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 10' ' ' ' U' . . . . . 1.036 ' O2 ' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.138 2 C5'-C4'-C3' 108.467 -4.689 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' 2' 2 ' 11' ' ' ' G' . . . . . 1.036 " H2'" ' O2 ' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.049 2 C5'-C4'-C3' 105.534 -6.644 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.55 " O4'" ' O2 ' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.833 2 C5'-C4'-C3' 107.549 -5.3 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.915 " H2'" " O4'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.901 2 C3'-C2'-C1' 105.355 4.283 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.915 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.55 2.326 1 C3'-C2'-C1' 105.65 4.612 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.508 " H2'" ' C6 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.973 1 C5'-C4'-C3' 108.026 -4.983 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.118 ' O2 ' ' C5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.553 2.613 1 C5'-C4'-C3' 107.063 -5.624 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.118 ' C5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 1 C4'--C3' 1.593 6.249 2 C5'-C4'-C3' 108.601 -4.599 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.955 ' OP2' ' H8 ' ' 2' ' 18' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.559 3.179 2 C5'-C4'-C3' 105.05 -6.967 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' 2' 2 ' 19' ' ' ' U' . . . . . 1.022 ' P ' " H3'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.958 2 C3'-C2'-C1' 105.876 4.862 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.996 ' OP1' " H4'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.833 1 C5'-C4'-C3' 107.938 -5.041 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.885 ' C4 ' ' NH2' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.923 2 C5'-C4'-C3' 105.393 -6.738 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.809 " O2'" ' H6 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.833 2 C5'-C4'-C3' 107.493 -5.338 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.809 ' H6 ' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.946 1 C5'-C4'-C3' 107.936 -5.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.571 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.988 1 C5'-C4'-C3' 107.687 -5.208 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.571 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.153 1 C5'-C4'-C3' 107.756 -5.162 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.863 " O2'" " H5'" ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.573 4.478 1 C5'-C4'-C3' 108.431 -4.712 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.863 " H5'" " O2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.861 1 C3'-C2'-C1' 105.155 4.061 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.531 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.586 1 C5'-C4'-C3' 109.257 -4.162 . 0.42 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.66 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.335 0 C3'-C2'-C1' 105.054 3.949 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.66 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.487 1 C5'-C4'-C3' 109.015 -4.323 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.655 ' C6 ' " H2'" ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.548 2.172 2 C3'-C2'-C1' 105.855 4.839 . 0.202 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 1' ' ' ARG . . . . . 0.769 ' NH1' ' C5 ' ' 2' ' 8' ' ' ' C' . 11.4 ttp-105 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.304 0.573 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 2' ' ' VAL . . . . . 0.629 HG13 ' O ' ' 1' ' 2' ' ' VAL . 5.4 p -171.56 84.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.271 -0.893 . . . . 0.0 108.875 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 3' ' ' ARG . . . . . 0.78 ' H ' ' CD ' ' 1' ' 3' ' ' ARG . 0.0 OUTLIER -79.86 140.66 36.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.123 -0.986 . . . . 0.0 109.338 -178.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 4' ' ' THR . . . . . 0.465 ' C ' ' H ' ' 1' ' 6' ' ' GLY . 3.2 m -95.72 107.17 19.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.277 -0.889 . . . . 0.0 109.42 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -70.79 10.77 0.46 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.991 . . . . 0.0 109.614 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 6' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' 1' ' 4' ' ' THR . . . 80.25 -85.71 1.31 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -62.39 -33.89 75.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.088 -1.242 . . . . 0.0 109.274 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . 1.05 ' NH1' ' C8 ' ' 2' ' 21' ' ' ' A' . 0.0 OUTLIER -134.92 -152.24 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.414 -0.804 . . . . 0.0 109.995 179.559 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 9' ' ' ARG . . . . . 0.725 ' CG ' ' H ' ' 1' ' 10' ' ' ILE . 6.5 ttp180 -160.07 -175.32 5.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.197 -0.939 . . . . 0.0 109.905 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 10' ' ' ILE . . . . . 0.725 ' H ' ' CG ' ' 1' ' 9' ' ' ARG . 0.2 OUTLIER -177.11 164.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.907 . . . . 0.0 109.329 179.09 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 11' ' ' ARG . . . . . 0.614 ' C ' HH12 ' 1' ' 3' ' ' ARG . 10.1 mmm180 -128.72 149.38 50.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 110.018 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 12' ' ' VAL . . . . . 0.713 HG12 ' NH1' ' 1' ' 3' ' ' ARG . 3.4 p -147.8 85.68 6.48 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 5.0 Cg_exo 82.58 -127.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.516 2.144 . . . . 0.0 110.326 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo . . . . . 0 C--N 1.297 -2.143 0 C-N-CA 123.211 2.608 . . . . 0.0 110.957 178.588 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' 2' 2 ' 4' ' ' ' G' . . . . . 0.996 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.877 2 C5'-C4'-C3' 108.332 -4.778 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 5' ' ' ' G' . . . . . 0.996 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.063 2 C3'-C2'-C1' 105.441 4.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.698 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.341 1 C5'-C4'-C3' 108.629 -4.581 . 0.109 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.578 " H2'" ' H6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.212 0 C3'-C2'-C1' 104.973 3.858 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.787 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.432 1 C5'-C4'-C3' 108.918 -4.388 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.809 " C3'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.257 1 C5'-C4'-C3' 108.78 -4.48 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.826 " H4'" ' OP1' ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.141 2 C5'-C4'-C3' 107.811 -5.126 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.996 " H2'" H5'' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.14 2 C5'-C4'-C3' 106.385 -6.077 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.557 " H4'" ' OP2' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.795 2 C5'-C4'-C3' 107.707 -5.195 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.996 H5'' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.799 2 C5'-C4'-C3' 106.205 -6.197 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.919 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 1 C4'--C3' 1.576 4.76 1 C3'-C2'-C1' 105.722 4.691 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.757 " H2'" H5'' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 108.623 -4.585 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.757 H5'' " H2'" ' 2' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.019 1 C5'-C4'-C3' 106.611 -5.926 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.749 " H4'" ' OP1' ' 2' ' 18' ' ' ' A' . . . . . . . . 0 P--O5' 1.612 1.872 2 C5'-C4'-C3' 108.079 -4.947 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.992 " H4'" H5'' ' 2' ' 19' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.554 2.695 1 C3'-C2'-C1' 105.846 4.829 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.992 H5'' " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.013 2 C5'-C4'-C3' 107.679 -5.214 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' 2' 2 ' 20' ' ' ' U' . . . . . 1.003 ' C6 ' ' CZ ' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.956 2 C5'-C4'-C3' 107.476 -5.349 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' 2' 2 ' 21' ' ' ' A' . . . . . 1.05 ' C8 ' ' NH1' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.92 2 C5'-C4'-C3' 105.317 -6.789 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.938 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.432 -1.755 2 C5'-C4'-C3' 106.776 -5.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.631 ' N4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.984 1 C5'-C4'-C3' 108.319 -4.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.643 " H2'" " C1'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.983 2 C5'-C4'-C3' 107.568 -5.288 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.643 " C1'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.181 1 C5'-C4'-C3' 108.33 -4.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.842 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.575 4.633 1 C5'-C4'-C3' 108.286 -4.81 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.842 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.554 2.761 1 C3'-C2'-C1' 105.204 4.116 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.454 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.594 0 C5'-C4'-C3' 109.508 -3.995 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.651 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.552 2.515 0 C3'-C2'-C1' 104.959 3.844 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.678 " H2'" ' C6 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.447 1 C5'-C4'-C3' 109.097 -4.269 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.678 ' C6 ' " H2'" ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.554 2.772 2 C3'-C2'-C1' 105.829 4.81 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 1' ' ' ARG . . . . . 0.698 ' NH2' ' O6 ' ' 2' ' 9' ' ' ' G' . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.239 0.542 . . . . 0.0 109.611 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 2' ' ' VAL . . . . . 0.594 ' CG1' ' HE ' ' 1' ' 9' ' ' ARG . 0.8 OUTLIER -81.45 110.98 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.302 -0.874 . . . . 0.0 108.817 178.668 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 3' ' ' ARG . . . . . 0.822 ' NH2' ' N7 ' ' 2' ' 11' ' ' ' G' . 0.0 OUTLIER -79.61 102.03 8.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.038 -1.039 . . . . 0.0 109.283 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 4' ' ' THR . . . . . . . . . . . . . 15.3 m -69.16 85.02 0.36 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . 0.596 ' HD3' " H2'" ' 2' ' 10' ' ' ' U' . 0.5 OUTLIER -58.68 -168.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.098 -1.001 . . . . 0.0 109.605 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 6' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' 1' ' 7' ' ' LYS . . . -85.84 103.38 2.75 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 7' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' 1' ' 6' ' ' GLY . 0.4 OUTLIER 78.33 4.89 2.67 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.153 -1.204 . . . . 0.0 109.315 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . 0.712 ' NE ' ' C2 ' ' 2' ' 18' ' ' ' A' . 9.9 mmt-85 -139.26 -162.84 1.38 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.546 -0.722 . . . . 0.0 109.91 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 9' ' ' ARG . . . . . 0.813 ' O ' " H5'" ' 2' ' 21' ' ' ' A' . 4.1 ttt180 -161.29 106.91 1.36 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.15 -0.969 . . . . 0.0 109.803 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 10' ' ' ILE . . . . . 0.537 ' N ' HD13 ' 1' ' 10' ' ' ILE . 2.7 mm -93.49 171.51 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.177 -0.952 . . . . 0.0 109.32 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 11' ' ' ARG . . . . . 0.413 ' H ' HG22 ' 1' ' 10' ' ' ILE . 14.7 ttm180 -139.12 139.9 37.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.151 -0.968 . . . . 0.0 110.05 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 12' ' ' VAL . . . . . 0.616 ' CG1' ' NH1' ' 1' ' 1' ' ' ARG . 12.5 t -149.8 82.76 6.53 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 64.2 Cg_exo 84.93 -128.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.535 2.156 . . . . 0.0 110.298 -176.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.298 -2.103 0 C-N-CA 123.146 2.564 . . . . 0.0 110.907 -179.679 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' 2' 2 ' 4' ' ' ' G' . . . . . 0.972 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 P--O5' 1.61 1.723 2 C5'-C4'-C3' 107.11 -5.593 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 5' ' ' ' G' . . . . . 0.972 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.136 2 C3'-C2'-C1' 105.463 4.403 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.7 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.4 1 C5'-C4'-C3' 108.141 -4.906 . 0.099 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.554 " O5'" " O2'" ' 2' ' 6' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.185 1 C5'-C4'-C3' 109.035 -4.31 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.904 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.365 0 C5'-C4'-C3' 109.896 -3.736 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.904 " H5'" " O2'" ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.322 1 C5'-C4'-C3' 108.507 -4.662 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 10' ' ' ' U' . . . . . 1.002 ' O2 ' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.145 2 C5'-C4'-C3' 107.779 -5.147 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' 2' 2 ' 11' ' ' ' G' . . . . . 1.073 " O2'" " H5'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.168 2 C5'-C4'-C3' 106.618 -5.922 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.797 ' OP2' " H4'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.846 2 C5'-C4'-C3' 107.674 -5.218 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' 2' 2 ' 13' ' ' ' A' . . . . . 1.073 " H5'" " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.912 2 C5'-C4'-C3' 109.045 -4.303 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.739 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.981 2 C3'-C2'-C1' 105.736 4.707 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.642 ' C4 ' ' C4 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.055 2 C5'-C4'-C3' 108.013 -4.991 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.877 " H2'" ' C6 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.554 2.733 1 C5'-C4'-C3' 107.614 -5.257 OUTLIER-EPSILON 0.01 1f . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.932 H5'' ' O2 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.883 2 C5'-C4'-C3' 108.439 -4.707 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.971 " H4'" " H5'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.544 1.799 2 C3'-C2'-C1' 105.857 4.841 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.971 " H5'" " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 C5'-C4'-C3' 107.407 -5.395 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.857 " C1'" H5'' ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.435 1.759 1 C5'-C4'-C3' 107.781 -5.146 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.902 " O2'" ' H8 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.918 2 C5'-C4'-C3' 106.903 -5.731 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.902 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.96 2 C5'-C4'-C3' 107.699 -5.201 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.621 ' N4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.017 1 C5'-C4'-C3' 107.744 -5.17 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.621 ' O4 ' ' N4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.066 2 C5'-C4'-C3' 108.4 -4.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.574 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.213 1 C5'-C4'-C3' 109.055 -4.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.908 " O2'" " H5'" ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.577 4.78 1 C5'-C4'-C3' 109.438 -4.041 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.908 " H5'" " O2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.564 3.614 1 C3'-C2'-C1' 105.188 4.098 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.598 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.581 0 O4'-C1'-N19 112.045 3.845 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.695 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.552 2.568 0 C3'-C2'-C1' 104.949 3.832 . 0.313 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.695 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.506 1 C5'-C4'-C3' 109.045 -4.303 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.652 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.155 2 C3'-C2'-C1' 105.806 4.785 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 1' ' ' ARG . . . . . 0.964 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.29 0.567 . . . . 0.0 109.56 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.92 116.12 51.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.282 -0.886 . . . . 0.0 108.828 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 3' ' ' ARG . . . . . 0.964 ' N ' HH22 ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -88.15 64.77 7.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.355 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 4' ' ' THR . . . . . 0.408 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 93.9 m -45.09 89.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.173 -0.954 . . . . 0.0 109.431 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 23.6 ttt-85 -64.8 -153.42 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.224 -0.923 . . . . 0.0 109.59 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 6' ' ' GLY . . . . . 0.41 ' H ' ' HG2' ' 1' ' 5' ' ' ARG . . . -58.93 -100.63 0.01 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -91.7 -1.88 57.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.122 -1.223 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . 0.698 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 50.5 mmt-85 -97.92 -155.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.337 -0.852 . . . . 0.0 109.961 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 9' ' ' ARG . . . . . 0.6 ' O ' " H5'" ' 2' ' 21' ' ' ' A' . 8.3 ttp180 -176.88 91.87 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 10' ' ' ILE . . . . . 0.422 HG13 ' N7 ' ' 2' ' 22' ' ' ' G' . 1.4 mp -96.07 150.83 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.356 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 11' ' ' ARG . . . . . 0.619 HH21 ' P ' ' 2' ' 21' ' ' ' A' . 11.2 mtm180 -121.18 156.15 33.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.111 -0.993 . . . . 0.0 110.044 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 12' ' ' VAL . . . . . 0.521 HG12 ' O ' ' 1' ' 12' ' ' VAL . 20.9 t -152.22 86.79 4.36 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.57 75.6 Cg_exo 84.96 -131.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.549 2.166 . . . . 0.0 110.275 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.297 -2.133 0 C-N-CA 123.236 2.624 . . . . 0.0 110.935 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.012 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.778 2 C5'-C4'-C3' 107.361 -5.426 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.012 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.081 2 C5'-C4'-C3' 108.62 -4.587 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.713 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.441 1 C5'-C4'-C3' 108.296 -4.802 . 0.09 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.622 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.141 1 C5'-C4'-C3' 109.088 -4.275 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.713 " H2'" ' C8 ' ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.32 1 C5'-C4'-C3' 109.051 -4.299 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.85 " H2'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.352 1 C5'-C4'-C3' 108.059 -4.96 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.85 H5'' " H2'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.558 3.114 2 C5'-C4'-C3' 106.951 -5.699 OUTLIER-EPSILON 0.06 7r . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.873 " H4'" ' OP2' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.076 2 C5'-C4'-C3' 107.255 -5.496 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.882 " H4'" ' OP2' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.544 1.851 2 C5'-C4'-C3' 107.875 -5.083 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.882 ' OP2' " H4'" ' 2' ' 12' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.924 2 C5'-C4'-C3' 106.605 -5.93 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.774 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.552 2.544 2 C5'-C4'-C3' 108.381 -4.746 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.604 " O2'" ' OP1' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.02 2 C5'-C4'-C3' 108.97 -4.354 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.133 ' O2 ' ' H5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.564 3.624 1 C5'-C4'-C3' 106.627 -5.915 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.133 ' H5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.556 2.902 2 C5'-C4'-C3' 108.23 -4.847 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.78 ' C8 ' " O2'" ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.773 2 C5'-C4'-C3' 106.037 -6.309 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.783 " O2'" " H5'" ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.892 2 C5'-C4'-C3' 107.338 -5.441 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.953 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.802 2 C5'-C4'-C3' 107.726 -5.183 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.838 H5'' " O4'" ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.874 2 C5'-C4'-C3' 105.657 -6.562 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.735 " O2'" ' H6 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.844 2 C5'-C4'-C3' 106.95 -5.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.735 ' H6 ' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.957 1 C5'-C4'-C3' 108.353 -4.765 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.887 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.036 2 C5'-C4'-C3' 107.913 -5.058 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.887 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.121 1 C5'-C4'-C3' 109.087 -4.275 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.835 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.592 6.143 1 C5'-C4'-C3' 108.846 -4.436 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.835 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.556 2.875 1 C3'-C2'-C1' 105.175 4.083 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.546 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.533 1 C5'-C4'-C3' 109.359 -4.094 . 0.345 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.618 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.213 0 C3'-C2'-C1' 104.927 3.807 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.691 ' C4 ' ' N4 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.444 2.47 1 C5'-C4'-C3' 108.833 -4.445 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.691 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.063 2 C5'-C4'-C3' 108.094 -4.937 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 1' ' ' ARG . . . . . 0.884 ' NH2' ' C6 ' ' 2' ' 9' ' ' ' G' . 5.7 ptm180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.321 0.581 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 2' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' 1' ' 11' ' ' ARG . 4.9 t -74.27 134.06 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.294 -0.879 . . . . 0.0 108.823 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 3' ' ' ARG . . . . . 0.726 ' NH2' ' C4 ' ' 2' ' 10' ' ' ' U' . 15.4 ttp85 -145.68 53.37 1.17 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.259 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 4' ' ' THR . . . . . 0.477 ' HB ' HH22 ' 1' ' 11' ' ' ARG . 3.7 t -52.01 141.82 17.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 0.0 109.433 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . 0.443 ' NH1' ' O4 ' ' 2' ' 16' ' ' ' U' . 25.9 ttt180 -84.03 21.42 1.35 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.125 -0.984 . . . . 0.0 109.538 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.56 -75.3 0.56 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -94.81 -25.92 16.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.176 -1.191 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . 0.811 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 6.9 mtt85 -94.73 -145.88 0.26 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.986 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 9' ' ' ARG . . . . . 0.413 ' H ' ' HB3' ' 1' ' 8' ' ' ARG . 42.8 ttt-85 -165.73 100.76 0.68 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.165 -0.959 . . . . 0.0 109.834 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 10' ' ' ILE . . . . . 0.58 ' O ' ' NE ' ' 1' ' 11' ' ' ARG . 1.3 mp -108.06 142.77 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.227 -0.921 . . . . 0.0 109.342 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 11' ' ' ARG . . . . . 0.58 ' NE ' ' O ' ' 1' ' 10' ' ' ILE . 0.6 OUTLIER -130.1 152.91 49.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.195 -0.941 . . . . 0.0 110.021 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 12' ' ' VAL . . . . . 0.615 HG23 ' CG ' ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -154.42 87.73 3.47 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.476 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 13' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' 1' ' 12' ' ' VAL 2.573 5.4 Cg_exo 81.3 -135.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.552 2.168 . . . . 0.0 110.324 -174.695 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.493 ' O ' ' OP2' ' 2' ' 8' ' ' ' C' . 84.5 Cg_endo . . . . . 0 C--N 1.297 -2.164 0 C-N-CA 123.277 2.651 . . . . 0.0 110.947 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 2' 2 ' 4' ' ' ' G' . . . . . 0.998 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.544 1.851 2 C5'-C4'-C3' 107.899 -5.067 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 5' ' ' ' G' . . . . . 0.998 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 108.626 -4.582 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.711 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.44 1 C5'-C4'-C3' 107.938 -5.041 . 0.092 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.657 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.244 1 C5'-C4'-C3' 108.595 -4.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.906 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.404 1 C5'-C4'-C3' 108.044 -4.971 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.906 " H5'" " O2'" ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.234 1 C5'-C4'-C3' 107.523 -5.318 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.872 " H4'" ' OP1' ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.083 2 C5'-C4'-C3' 107.74 -5.173 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.872 ' OP1' " H4'" ' 2' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.03 2 C5'-C4'-C3' 106.783 -5.811 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.844 ' OP1' " H4'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.785 2 C5'-C4'-C3' 107.492 -5.339 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.8 " H2'" " O4'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.879 2 C5'-C4'-C3' 107.724 -5.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.8 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 1 C4'--C3' 1.575 4.642 1 C3'-C2'-C1' 105.747 4.718 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' 2' 2 ' 15' ' ' ' C' . . . . . 1.02 " H2'" H5'' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.017 2 C5'-C4'-C3' 109.274 -4.151 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.02 H5'' " H2'" ' 2' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.901 1 C5'-C4'-C3' 105.78 -6.48 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.862 ' C6 ' " H2'" ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.865 2 C3'-C2'-C1' 105.601 4.556 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.977 " H4'" " H5'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.954 2 C5'-C4'-C3' 108.223 -4.852 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.977 " H5'" " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.915 2 C5'-C4'-C3' 107.345 -5.437 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' 2' 2 ' 20' ' ' ' U' . . . . . 1.034 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.814 2 C5'-C4'-C3' 107.558 -5.294 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.936 " O2'" ' H8 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.847 2 C5'-C4'-C3' 107.053 -5.631 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.936 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.823 2 C5'-C4'-C3' 107.411 -5.392 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.614 ' C4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.961 1 C5'-C4'-C3' 107.87 -5.087 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.628 " H2'" " C1'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.971 2 C5'-C4'-C3' 107.137 -5.575 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.628 " C1'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.192 1 C5'-C4'-C3' 107.839 -5.107 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.819 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.587 5.689 1 C5'-C4'-C3' 109.001 -4.333 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.819 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.78 1 C3'-C2'-C1' 105.171 4.079 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.603 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.59 1 C5'-C4'-C3' 108.824 -4.451 . 0.327 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.721 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.279 0 C3'-C2'-C1' 104.975 3.861 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.721 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.348 1 C5'-C4'-C3' 108.675 -4.55 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.666 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.074 2 C3'-C2'-C1' 105.83 4.811 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 1' ' ' ARG . . . . . 0.829 ' NH2' ' C6 ' ' 2' ' 9' ' ' ' G' . 2.1 mtp180 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.25 0.548 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 2.3 t -148.99 70.57 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.369 -0.832 . . . . 0.0 108.852 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 3' ' ' ARG . . . . . 0.895 ' NH2' HG12 ' 1' ' 12' ' ' VAL . 10.3 mtm-85 -75.61 90.07 2.78 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.054 -1.029 . . . . 0.0 109.345 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 4' ' ' THR . . . . . 0.608 ' O ' ' N ' ' 1' ' 6' ' ' GLY . 81.1 p -57.67 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.244 -0.91 . . . . 0.0 109.397 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 5' ' ' ARG . . . . . 0.589 ' H ' ' C ' ' 1' ' 3' ' ' ARG . 22.4 ttt180 39.13 23.62 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 6' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 92.91 -100.85 2.71 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' 1' ' 8' ' ' ARG . 5.0 pttp -86.31 -50.91 6.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.221 -1.164 . . . . 0.0 109.208 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 8' ' ' ARG . . . . . 0.834 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 10.6 mmt-85 -59.79 -155.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.928 -1.108 . . . . 0.0 109.948 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 9' ' ' ARG . . . . . 0.477 ' NE ' HG22 ' 1' ' 4' ' ' THR . 13.9 ttm180 -170.42 113.63 0.45 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 0.0 109.814 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 10' ' ' ILE . . . . . 0.533 HD11 ' C5 ' ' 2' ' 21' ' ' ' A' . 0.6 OUTLIER -130.3 124.46 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.174 -0.954 . . . . 0.0 109.4 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -111.26 151.08 28.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.982 . . . . 0.0 110.01 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 12' ' ' VAL . . . . . 0.895 HG12 ' NH2' ' 1' ' 3' ' ' ARG . 7.4 p -147.83 94.66 4.32 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.571 78.5 Cg_exo 85.55 -128.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.617 2.212 . . . . 0.0 110.358 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.519 ' O ' ' OP2' ' 2' ' 8' ' ' ' C' . 94.7 Cg_endo . . . . . 0 C--N 1.297 -2.181 0 C-N-CA 123.214 2.609 . . . . 0.0 110.958 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.062 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.545 1.911 2 C5'-C4'-C3' 107.516 -5.323 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.062 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.156 2 C5'-C4'-C3' 108.554 -4.631 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.728 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.309 1 C5'-C4'-C3' 107.915 -5.056 . 0.084 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.695 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.17 1 C5'-C4'-C3' 108.579 -4.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.878 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.365 1 C5'-C4'-C3' 108.458 -4.695 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.878 " H5'" " O2'" ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.236 1 C5'-C4'-C3' 107.021 -5.653 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.803 H5'' " C3'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.554 2.733 2 C5'-C4'-C3' 107.414 -5.391 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.985 " H3'" ' OP2' ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.032 3 C5'-C4'-C3' 107.968 -5.021 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.553 " O4'" ' O2 ' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.786 2 C5'-C4'-C3' 107.625 -5.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.821 H5'' " C2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.943 2 C5'-C4'-C3' 107.169 -5.554 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.786 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 C5'-C4'-C3' 108.323 -4.785 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.827 " C2'" H5'' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.5 -2.158 1 C5'-C4'-C3' 107.414 -5.391 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.827 H5'' " C2'" ' 2' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.906 1 C5'-C4'-C3' 106.196 -6.203 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.701 ' C6 ' ' N7 ' ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.847 2 C5'-C4'-C3' 108.438 -4.708 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.834 ' N1 ' ' NE ' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.881 2 C5'-C4'-C3' 107.262 -5.492 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.736 " H3'" ' C6 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.907 2 C5'-C4'-C3' 107.416 -5.389 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.953 " C1'" H5'' ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.884 2 C5'-C4'-C3' 107.638 -5.242 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 21' ' ' ' A' . . . . . 1.077 " O2'" ' H8 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.983 2 C5'-C4'-C3' 106.239 -6.174 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 22' ' ' ' G' . . . . . 1.077 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.867 2 C5'-C4'-C3' 108.457 -4.695 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.904 ' C6 ' " H2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.562 3.47 1 C5'-C4'-C3' 108.221 -4.852 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.657 " H2'" " C1'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.062 2 C5'-C4'-C3' 107.657 -5.229 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.657 " C1'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.198 1 C5'-C4'-C3' 108.219 -4.854 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.777 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.589 5.948 1 C5'-C4'-C3' 108.962 -4.359 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear build full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.777 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.551 2.423 0 C3'-C2'-C1' 105.082 3.98 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.624 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.498 1 C5'-C4'-C3' 108.683 -4.545 . 0.057 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.729 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.164 0 C5'-C4'-C3' 109.677 -3.882 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.729 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.366 1 C5'-C4'-C3' 108.647 -4.569 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.678 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.093 2 C5'-C4'-C3' 108.252 -4.832 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 1' ' ' ARG . . . . . 0.771 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 121.298 0.571 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 2' ' ' VAL . . . . . 0.637 ' C ' HH22 ' 1' ' 1' ' ' ARG . 10.7 t -145.83 117.05 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.319 -0.863 . . . . 0.0 108.783 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 3' ' ' ARG . . . . . 0.922 ' NH1' HG21 ' 1' ' 12' ' ' VAL . 0.4 OUTLIER -64.87 1.18 0.95 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.039 -1.038 . . . . 0.0 109.317 -179.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 4' ' ' THR . . . . . 0.657 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 20.4 m 26.38 71.35 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 109.42 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' 1' ' 7' ' ' LYS . 5.8 tpt180 -37.97 149.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.19 -0.944 . . . . 0.0 109.596 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . -45.23 -18.2 0.15 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 7' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 1.8 tppt? -141.18 -43.3 0.38 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.152 -1.205 . . . . 0.0 109.298 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . 0.495 ' H ' ' HB3' ' 1' ' 5' ' ' ARG . 0.0 OUTLIER -92.08 -159.01 0.62 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.495 -1.378 . . . . 0.0 109.934 -178.497 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 9' ' ' ARG . . . . . 0.962 ' O ' HD13 ' 1' ' 10' ' ' ILE . 30.6 ttm180 -137.84 142.49 40.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.85 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 10' ' ' ILE . . . . . 0.962 HD13 ' O ' ' 1' ' 9' ' ' ARG . 3.4 mm -139.09 95.68 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.19 -0.944 . . . . 0.0 109.391 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -75.53 137.14 40.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.11 -0.994 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 12' ' ' VAL . . . . . 0.922 HG21 ' NH1' ' 1' ' 3' ' ' ARG . 86.9 t -141.42 82.99 13.81 Favored Pre-proline 0 N--CA 1.494 1.748 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 52.6 Cg_exo 77.65 -122.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.598 2.199 . . . . 0.0 110.393 -176.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.299 -2.062 0 C-N-CA 123.184 2.59 . . . . 0.0 110.936 178.866 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' 1' 1 ' 1' ' ' ARG . . . . . 0.581 ' HD3' HG13 ' 1' ' 12' ' ' VAL . 4.2 mtp180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.246 0.546 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 36.8 t -150.75 60.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 0.0 108.779 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 3' ' ' ARG . . . . . 0.485 ' HG2' ' NH1' ' 1' ' 3' ' ' ARG . 0.2 OUTLIER -47.42 142.96 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.026 -1.046 . . . . 0.0 109.32 -178.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 4' ' ' THR . . . . . 0.741 ' O ' ' OG1' ' 1' ' 4' ' ' THR . 0.4 OUTLIER -124.97 59.36 1.23 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 0.0 109.402 179.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . 0.603 ' O ' ' N ' ' 1' ' 7' ' ' LYS . 50.9 mtt180 -40.73 101.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.0 109.561 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 6' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 51.41 -83.57 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 7' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 27.4 mttt -116.64 -35.89 4.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.152 -1.205 . . . . 0.0 109.223 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -53.45 164.42 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.982 -1.074 . . . . 0.0 109.931 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -141.98 97.46 3.14 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.224 -0.923 . . . . 0.0 109.823 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 10' ' ' ILE . . . . . 0.528 ' N ' HD13 ' 1' ' 10' ' ' ILE . 3.2 mm -90.51 142.94 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 109.417 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.72 125.59 36.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 12' ' ' VAL . . . . . 0.581 HG13 ' HD3' ' 1' ' 1' ' ' ARG . 0.2 OUTLIER -142.91 100.77 5.41 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.293 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 51.5 Cg_exo 77.15 -126.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.602 2.202 . . . . 0.0 110.36 -175.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo . . . . . 0 C--N 1.298 -2.107 0 C-N-CA 123.224 2.616 . . . . 0.0 110.889 179.045 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' 1' 1 ' 1' ' ' ARG . . . . . 0.909 HH12 HG11 ' 1' ' 12' ' ' VAL . 2.3 tmm_? . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.229 0.538 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.02 135.82 62.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.852 . . . . 0.0 108.847 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 3' ' ' ARG . . . . . 0.9 HH12 ' NH1' ' 1' ' 1' ' ' ARG . 66.5 mtm-85 -93.38 93.98 8.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.079 -1.013 . . . . 0.0 109.352 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 4' ' ' THR . . . . . 0.718 ' CG2' ' HE ' ' 1' ' 9' ' ' ARG . 3.1 p -63.62 54.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.367 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . 0.631 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 6.0 ttt-85 -40.45 119.5 1.09 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.6 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . 42.13 -92.11 0.01 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 7' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 47.8 mttp -122.55 -6.84 8.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -1.188 . . . . 0.0 109.297 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' 1' ' 8' ' ' ARG . 18.0 mmt-85 -82.95 176.33 9.36 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.743 -1.223 . . . . 0.0 110.011 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 9' ' ' ARG . . . . . 0.718 ' HE ' ' CG2' ' 1' ' 4' ' ' THR . 13.4 mmt85 -140.46 112.38 7.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.165 -0.96 . . . . 0.0 109.8 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 10' ' ' ILE . . . . . 0.411 HD12 HG23 ' 1' ' 10' ' ' ILE . 6.5 mm -110.33 86.21 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.36 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -54.73 141.84 30.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.198 -0.939 . . . . 0.0 110.059 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 12' ' ' VAL . . . . . 0.909 HG11 HH12 ' 1' ' 1' ' ' ARG . 54.6 t -149.23 81.06 7.58 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 13' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.573 36.0 Cg_exo 73.67 -121.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.568 2.179 . . . . 0.0 110.301 -177.126 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 14' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' 1' ' 13' ' ' PRO . 82.0 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.263 2.642 . . . . 0.0 110.976 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 1' ' ' ARG . . . . . 0.585 ' O ' ' N ' ' 1' ' 12' ' ' VAL . 7.0 mtm-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.237 0.542 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 2' ' ' VAL . . . . . 0.814 HG23 ' O ' ' 1' ' 2' ' ' VAL . 18.2 m -138.25 91.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.314 -0.866 . . . . 0.0 108.795 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 3' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' 1' ' 5' ' ' ARG . 28.4 mtm180 -55.51 81.3 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.071 -1.018 . . . . 0.0 109.332 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 4' ' ' THR . . . . . 0.611 ' N ' ' O ' ' 1' ' 2' ' ' VAL . 42.5 m -60.9 81.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 0.0 109.382 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . 0.501 ' O ' ' O ' ' 1' ' 4' ' ' THR . 4.4 mmt85 -39.34 -92.12 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.627 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.6 -62.32 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -100.93 7.93 43.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.091 -1.241 . . . . 0.0 109.28 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -135.64 -161.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.899 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 9' ' ' ARG . . . . . 0.554 ' NH1' HG21 ' 1' ' 2' ' ' VAL . 26.6 ttm-85 -165.1 112.63 1.0 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.845 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 10' ' ' ILE . . . . . 0.449 ' N ' HD13 ' 1' ' 10' ' ' ILE . 6.0 mm -94.43 164.5 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.14 -0.975 . . . . 0.0 109.321 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 11' ' ' ARG . . . . . 0.569 ' HD3' HG12 ' 1' ' 2' ' ' VAL . 7.4 tpp85 -120.57 123.23 42.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 0.0 110.009 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 12' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' 1' ' 1' ' ' ARG . 59.8 t -125.2 84.65 59.23 Favored Pre-proline 0 N--CA 1.494 1.735 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 13' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.573 30.8 Cg_endo 48.88 -102.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.542 2.162 . . . . 0.0 110.328 -177.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 14' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' 1' ' 13' ' ' PRO . 79.1 Cg_endo . . . . . 0 C--N 1.297 -2.134 0 C-N-CA 123.197 2.598 . . . . 0.0 110.991 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 1' ' ' ARG . . . . . 0.796 HH22 ' CA ' ' 1' ' 3' ' ' ARG . 1.1 ptm180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.302 0.572 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 2' ' ' VAL . . . . . 0.415 ' C ' HH22 ' 1' ' 1' ' ' ARG . 0.7 OUTLIER -126.82 114.17 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.284 -0.885 . . . . 0.0 108.808 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 3' ' ' ARG . . . . . 0.796 ' CA ' HH22 ' 1' ' 1' ' ' ARG . 4.2 ttp180 -101.9 41.9 1.18 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.099 -1.001 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 4' ' ' THR . . . . . 0.474 ' O ' HG23 ' 1' ' 4' ' ' THR . 6.6 t -43.1 126.52 4.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -69.44 -64.81 0.81 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.563 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.36 0.02 OUTLIER Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -99.9 -12.04 20.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -1.207 . . . . 0.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . 0.447 HH11 ' HB3' ' 1' ' 8' ' ' ARG . 2.2 mmm180 -101.0 -158.3 0.66 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.431 -1.418 . . . . 0.0 109.966 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 9' ' ' ARG . . . . . 0.98 ' O ' HD13 ' 1' ' 10' ' ' ILE . 22.7 ttt180 -146.39 147.81 31.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.79 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 10' ' ' ILE . . . . . 0.98 HD13 ' O ' ' 1' ' 9' ' ' ARG . 3.6 mm -139.27 72.89 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.153 -0.967 . . . . 0.0 109.362 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -59.86 134.87 57.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.221 -0.924 . . . . 0.0 110.044 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 12' ' ' VAL . . . . . 0.622 HG21 ' NH2' ' 1' ' 3' ' ' ARG . 61.5 t -138.86 87.16 14.69 Favored Pre-proline 0 N--CA 1.493 1.724 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 13' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.572 51.9 Cg_exo 80.63 -124.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.52 2.147 . . . . 0.0 110.326 -175.738 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 14' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' 1' ' 13' ' ' PRO . 73.8 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.232 2.621 . . . . 0.0 110.937 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 1' ' ' ARG . . . . . 0.587 ' CG ' ' H ' ' 1' ' 2' ' ' VAL . 11.4 ttp-105 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.304 0.573 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 2' ' ' VAL . . . . . 0.629 ' O ' HG13 ' 1' ' 2' ' ' VAL . 5.4 p -171.56 84.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.271 -0.893 . . . . 0.0 108.875 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 3' ' ' ARG . . . . . 0.78 ' H ' ' CD ' ' 1' ' 3' ' ' ARG . 0.0 OUTLIER -79.86 140.66 36.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.123 -0.986 . . . . 0.0 109.338 -178.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 4' ' ' THR . . . . . 0.465 ' C ' ' H ' ' 1' ' 6' ' ' GLY . 3.2 m -95.72 107.17 19.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.277 -0.889 . . . . 0.0 109.42 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -70.79 10.77 0.46 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.991 . . . . 0.0 109.614 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 6' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' 1' ' 4' ' ' THR . . . 80.25 -85.71 1.31 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -62.39 -33.89 75.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.088 -1.242 . . . . 0.0 109.274 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . 0.764 ' CG ' HH11 ' 1' ' 8' ' ' ARG . 0.0 OUTLIER -134.92 -152.24 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.414 -0.804 . . . . 0.0 109.995 179.559 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 9' ' ' ARG . . . . . 0.725 ' CG ' ' H ' ' 1' ' 10' ' ' ILE . 6.5 ttp180 -160.07 -175.32 5.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.197 -0.939 . . . . 0.0 109.905 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 10' ' ' ILE . . . . . 0.725 ' H ' ' CG ' ' 1' ' 9' ' ' ARG . 0.2 OUTLIER -177.11 164.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.907 . . . . 0.0 109.329 179.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 11' ' ' ARG . . . . . 0.614 ' C ' HH12 ' 1' ' 3' ' ' ARG . 10.1 mmm180 -128.72 149.38 50.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 110.018 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 12' ' ' VAL . . . . . 0.713 HG12 ' NH1' ' 1' ' 3' ' ' ARG . 3.4 p -147.8 85.68 6.48 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 5.0 Cg_exo 82.58 -127.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.516 2.144 . . . . 0.0 110.326 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo . . . . . 0 C--N 1.297 -2.143 0 C-N-CA 123.211 2.608 . . . . 0.0 110.957 178.588 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' 1' 1 ' 1' ' ' ARG . . . . . 0.616 ' NH1' ' CG1' ' 1' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.239 0.542 . . . . 0.0 109.611 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 2' ' ' VAL . . . . . 0.594 ' CG1' ' HE ' ' 1' ' 9' ' ' ARG . 0.8 OUTLIER -81.45 110.98 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.302 -0.874 . . . . 0.0 108.817 178.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 3' ' ' ARG . . . . . 0.465 HH11 ' HD2' ' 1' ' 3' ' ' ARG . 0.0 OUTLIER -79.61 102.03 8.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.038 -1.039 . . . . 0.0 109.283 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 4' ' ' THR . . . . . . . . . . . . . 15.3 m -69.16 85.02 0.36 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -168.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.098 -1.001 . . . . 0.0 109.605 -179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 6' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' 1' ' 7' ' ' LYS . . . -85.84 103.38 2.75 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 7' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' 1' ' 6' ' ' GLY . 0.4 OUTLIER 78.33 4.89 2.67 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.153 -1.204 . . . . 0.0 109.315 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' 1' ' 8' ' ' ARG . 9.9 mmt-85 -139.26 -162.84 1.38 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.546 -0.722 . . . . 0.0 109.91 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 9' ' ' ARG . . . . . 0.594 ' HE ' ' CG1' ' 1' ' 2' ' ' VAL . 4.1 ttt180 -161.29 106.91 1.36 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.15 -0.969 . . . . 0.0 109.803 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 10' ' ' ILE . . . . . 0.537 ' N ' HD13 ' 1' ' 10' ' ' ILE . 2.7 mm -93.49 171.51 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.177 -0.952 . . . . 0.0 109.32 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 11' ' ' ARG . . . . . 0.413 ' H ' HG22 ' 1' ' 10' ' ' ILE . 14.7 ttm180 -139.12 139.9 37.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.151 -0.968 . . . . 0.0 110.05 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 12' ' ' VAL . . . . . 0.616 ' CG1' ' NH1' ' 1' ' 1' ' ' ARG . 12.5 t -149.8 82.76 6.53 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 64.2 Cg_exo 84.93 -128.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.535 2.156 . . . . 0.0 110.298 -176.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.298 -2.103 0 C-N-CA 123.146 2.564 . . . . 0.0 110.907 -179.679 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' 1' 1 ' 1' ' ' ARG . . . . . 0.964 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.29 0.567 . . . . 0.0 109.56 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.92 116.12 51.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.282 -0.886 . . . . 0.0 108.828 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 3' ' ' ARG . . . . . 0.964 ' N ' HH22 ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -88.15 64.77 7.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.355 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 4' ' ' THR . . . . . 0.408 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 93.9 m -45.09 89.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.173 -0.954 . . . . 0.0 109.431 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 23.6 ttt-85 -64.8 -153.42 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.224 -0.923 . . . . 0.0 109.59 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 6' ' ' GLY . . . . . 0.41 ' H ' ' HG2' ' 1' ' 5' ' ' ARG . . . -58.93 -100.63 0.01 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -91.7 -1.88 57.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.122 -1.223 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -97.92 -155.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.337 -0.852 . . . . 0.0 109.961 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -176.88 91.87 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 mp -96.07 150.83 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.356 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -121.18 156.15 33.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.111 -0.993 . . . . 0.0 110.044 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 12' ' ' VAL . . . . . 0.521 ' O ' HG12 ' 1' ' 12' ' ' VAL . 20.9 t -152.22 86.79 4.36 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.57 75.6 Cg_exo 84.96 -131.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.549 2.166 . . . . 0.0 110.275 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.297 -2.133 0 C-N-CA 123.236 2.624 . . . . 0.0 110.935 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' 1' 1 ' 1' ' ' ARG . . . . . 0.615 ' CG ' HG23 ' 1' ' 12' ' ' VAL . 5.7 ptm180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.321 0.581 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 2' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' 1' ' 11' ' ' ARG . 4.9 t -74.27 134.06 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.294 -0.879 . . . . 0.0 108.823 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 3' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -145.68 53.37 1.17 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.259 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 4' ' ' THR . . . . . 0.477 ' HB ' HH22 ' 1' ' 11' ' ' ARG . 3.7 t -52.01 141.82 17.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 0.0 109.433 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -84.03 21.42 1.35 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.125 -0.984 . . . . 0.0 109.538 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.56 -75.3 0.56 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -94.81 -25.92 16.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.176 -1.191 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . 0.493 HH11 ' HG3' ' 1' ' 8' ' ' ARG . 6.9 mtt85 -94.73 -145.88 0.26 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.986 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 9' ' ' ARG . . . . . 0.413 ' H ' ' HB3' ' 1' ' 8' ' ' ARG . 42.8 ttt-85 -165.73 100.76 0.68 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.165 -0.959 . . . . 0.0 109.834 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 10' ' ' ILE . . . . . 0.58 ' O ' ' NE ' ' 1' ' 11' ' ' ARG . 1.3 mp -108.06 142.77 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.227 -0.921 . . . . 0.0 109.342 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 11' ' ' ARG . . . . . 0.58 ' NE ' ' O ' ' 1' ' 10' ' ' ILE . 0.6 OUTLIER -130.1 152.91 49.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.195 -0.941 . . . . 0.0 110.021 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 12' ' ' VAL . . . . . 0.615 HG23 ' CG ' ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -154.42 87.73 3.47 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.476 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 13' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' 1' ' 12' ' ' VAL 2.573 5.4 Cg_exo 81.3 -135.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.552 2.168 . . . . 0.0 110.324 -174.695 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--N 1.297 -2.164 0 C-N-CA 123.277 2.651 . . . . 0.0 110.947 178.698 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' 1' 1 ' 1' ' ' ARG . . . . . 0.672 ' HD3' HG13 ' 1' ' 12' ' ' VAL . 2.1 mtp180 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.25 0.548 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 2.3 t -148.99 70.57 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.369 -0.832 . . . . 0.0 108.852 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 3' ' ' ARG . . . . . 0.895 ' NH2' HG12 ' 1' ' 12' ' ' VAL . 10.3 mtm-85 -75.61 90.07 2.78 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.054 -1.029 . . . . 0.0 109.345 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 4' ' ' THR . . . . . 0.608 ' O ' ' N ' ' 1' ' 6' ' ' GLY . 81.1 p -57.67 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.244 -0.91 . . . . 0.0 109.397 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 5' ' ' ARG . . . . . 0.589 ' H ' ' C ' ' 1' ' 3' ' ' ARG . 22.4 ttt180 39.13 23.62 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 6' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 92.91 -100.85 2.71 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' 1' ' 8' ' ' ARG . 5.0 pttp -86.31 -50.91 6.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.221 -1.164 . . . . 0.0 109.208 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 8' ' ' ARG . . . . . 0.426 ' H ' ' HG3' ' 1' ' 7' ' ' LYS . 10.6 mmt-85 -59.79 -155.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.928 -1.108 . . . . 0.0 109.948 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 9' ' ' ARG . . . . . 0.477 ' NE ' HG22 ' 1' ' 4' ' ' THR . 13.9 ttm180 -170.42 113.63 0.45 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 0.0 109.814 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.3 124.46 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.174 -0.954 . . . . 0.0 109.4 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -111.26 151.08 28.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.982 . . . . 0.0 110.01 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 12' ' ' VAL . . . . . 0.895 HG12 ' NH2' ' 1' ' 3' ' ' ARG . 7.4 p -147.83 94.66 4.32 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.571 78.5 Cg_exo 85.55 -128.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.617 2.212 . . . . 0.0 110.358 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo . . . . . 0 C--N 1.297 -2.181 0 C-N-CA 123.214 2.609 . . . . 0.0 110.958 179.35 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' 1' 1 ' 1' ' ' ARG . . . . . 0.771 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 121.298 0.571 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 2' ' ' VAL . . . . . 0.637 ' C ' HH22 ' 1' ' 1' ' ' ARG . 10.7 t -145.83 117.05 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.319 -0.863 . . . . 0.0 108.783 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 3' ' ' ARG . . . . . 0.922 ' NH1' HG21 ' 1' ' 12' ' ' VAL . 0.4 OUTLIER -64.87 1.18 0.95 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.039 -1.038 . . . . 0.0 109.317 -179.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 4' ' ' THR . . . . . 0.657 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 20.4 m 26.38 71.35 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 109.42 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' 1' ' 7' ' ' LYS . 5.8 tpt180 -37.97 149.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.19 -0.944 . . . . 0.0 109.596 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . -45.23 -18.2 0.15 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 7' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 1.8 tppt? -141.18 -43.3 0.38 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.152 -1.205 . . . . 0.0 109.298 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . 0.707 ' NE ' ' C2 ' ' 2' ' 18' ' ' ' A' . 0.0 OUTLIER -92.08 -159.01 0.62 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.495 -1.378 . . . . 0.0 109.934 -178.497 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 9' ' ' ARG . . . . . 0.962 ' O ' HD13 ' 1' ' 10' ' ' ILE . 30.6 ttm180 -137.84 142.49 40.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.85 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 10' ' ' ILE . . . . . 0.962 HD13 ' O ' ' 1' ' 9' ' ' ARG . 3.4 mm -139.09 95.68 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.19 -0.944 . . . . 0.0 109.391 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -75.53 137.14 40.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.11 -0.994 . . . . 0.0 110.071 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 12' ' ' VAL . . . . . 0.922 HG21 ' NH1' ' 1' ' 3' ' ' ARG . 86.9 t -141.42 82.99 13.81 Favored Pre-proline 0 N--CA 1.494 1.748 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 52.6 Cg_exo 77.65 -122.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.598 2.199 . . . . 0.0 110.393 -176.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.299 -2.062 0 C-N-CA 123.184 2.59 . . . . 0.0 110.936 178.866 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.032 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.784 2 C5'-C4'-C3' 107.61 -5.26 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.032 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.074 2 C5'-C4'-C3' 108.686 -4.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.694 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.358 1 C5'-C4'-C3' 107.985 -5.01 . 0.093 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.6 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.241 1 C5'-C4'-C3' 108.892 -4.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.65 " H2'" ' C8 ' ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.36 1 C5'-C4'-C3' 109.243 -4.172 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.898 " C3'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.265 1 C5'-C4'-C3' 109.01 -4.327 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.947 ' O2 ' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.133 2 C5'-C4'-C3' 107.913 -5.058 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.999 " O2'" H5'' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.041 2 C5'-C4'-C3' 105.974 -6.351 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.508 " O4'" ' O2 ' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.779 2 C5'-C4'-C3' 107.546 -5.303 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.999 H5'' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.917 2 C5'-C4'-C3' 109.013 -4.325 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.966 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.547 2.132 1 C3'-C2'-C1' 105.743 4.714 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.468 ' C4 ' ' C4 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.918 1 C5'-C4'-C3' 107.669 -5.221 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.255 ' O2 ' ' H5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.563 3.586 1 C5'-C4'-C3' 107.432 -5.379 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.255 ' H5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.862 2 C5'-C4'-C3' 107.542 -5.305 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.915 ' C8 ' " O2'" ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.895 2 C3'-C2'-C1' 105.838 4.82 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.81 " C5'" " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.911 2 C5'-C4'-C3' 106.95 -5.7 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.872 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.825 1 C5'-C4'-C3' 107.389 -5.408 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.788 H5'' " C4'" ' 2' ' 20' ' ' ' U' . . . . . . . . 1 C4'--C3' 1.474 -4.54 2 C5'-C4'-C3' 106.095 -6.27 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.742 " O2'" ' P ' ' 2' ' 23' ' ' ' C' . . . . . . . . 1 C4'--C3' 1.591 6.109 1 C3'-C2'-C1' 105.504 4.449 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.742 ' P ' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.986 0 C5'-C4'-C3' 109.527 -3.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.566 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.013 2 C5'-C4'-C3' 107.605 -5.264 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.566 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.236 1 C5'-C4'-C3' 107.631 -5.246 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.89 " O2'" " H5'" ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.572 4.409 1 C5'-C4'-C3' 108.305 -4.797 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.89 " H5'" " O2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.827 1 C3'-C2'-C1' 105.135 4.039 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.563 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.507 1 C5'-C4'-C3' 109.347 -4.102 . 0.447 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.655 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.55 2.382 0 C3'-C2'-C1' 105.036 3.929 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.655 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.4 1 C5'-C4'-C3' 109.144 -4.237 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.618 ' C6 ' " H2'" ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.551 2.478 2 C3'-C2'-C1' 105.79 4.767 . 0.186 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 1' ' ' ARG . . . . . 0.914 ' NH2' ' C6 ' ' 2' ' 9' ' ' ' G' . 4.2 mtp180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.246 0.546 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 36.8 t -150.75 60.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 0.0 108.779 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 3' ' ' ARG . . . . . 0.829 ' NH2' ' N7 ' ' 2' ' 11' ' ' ' G' . 0.2 OUTLIER -47.42 142.96 3.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.026 -1.046 . . . . 0.0 109.32 -178.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 4' ' ' THR . . . . . 0.741 ' O ' ' OG1' ' 1' ' 4' ' ' THR . 0.4 OUTLIER -124.97 59.36 1.23 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 0.0 109.402 179.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . 0.688 ' HE ' " C2'" ' 2' ' 10' ' ' ' U' . 50.9 mtt180 -40.73 101.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.0 109.561 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 6' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 51.41 -83.57 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 7' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 27.4 mttt -116.64 -35.89 4.09 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.152 -1.205 . . . . 0.0 109.223 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . 0.7 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 5.6 mmt85 -53.45 164.42 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.982 -1.074 . . . . 0.0 109.931 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 9' ' ' ARG . . . . . 0.634 ' CG ' " O2'" ' 2' ' 20' ' ' ' U' . 15.8 mmm-85 -141.98 97.46 3.14 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.224 -0.923 . . . . 0.0 109.823 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 10' ' ' ILE . . . . . 0.528 HD13 ' N ' ' 1' ' 10' ' ' ILE . 3.2 mm -90.51 142.94 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 109.417 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.72 125.59 36.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.201 -0.937 . . . . 0.0 110.044 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 12' ' ' VAL . . . . . 0.581 HG13 ' HD3' ' 1' ' 1' ' ' ARG . 0.2 OUTLIER -142.91 100.77 5.41 Favored Pre-proline 0 N--CA 1.493 1.714 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.293 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 51.5 Cg_exo 77.15 -126.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.602 2.202 . . . . 0.0 110.36 -175.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.494 ' O ' ' OP2' ' 2' ' 8' ' ' ' C' . 89.9 Cg_endo . . . . . 0 C--N 1.298 -2.107 0 C-N-CA 123.224 2.616 . . . . 0.0 110.889 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.048 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.794 2 C5'-C4'-C3' 107.239 -5.507 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.048 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.1 2 C5'-C4'-C3' 108.582 -4.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.723 " H5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.365 1 C5'-C4'-C3' 108.178 -4.881 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.571 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.224 0 C3'-C2'-C1' 104.987 3.874 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.999 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.541 1 C5'-C4'-C3' 108.549 -4.634 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 9' ' ' ' G' . . . . . 1.013 " H2'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.364 1 C5'-C4'-C3' 108.265 -4.823 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 10' ' ' ' U' . . . . . 1.013 H5'' " H2'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.563 3.501 2 C5'-C4'-C3' 108.671 -4.553 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.964 " O2'" H5'' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.092 2 C5'-C4'-C3' 107.709 -5.194 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.859 2 C5'-C4'-C3' 107.975 -5.017 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.964 H5'' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.867 2 C3'-C2'-C1' 105.358 4.287 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.922 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 1 C4'--C3' 1.576 4.745 1 C3'-C2'-C1' 105.728 4.698 OUTLIER-EPSILON 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.73 ' P ' " O2'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 108.738 -4.508 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.972 ' O2 ' ' C5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.552 2.513 1 C5'-C4'-C3' 107.975 -5.017 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.972 ' C5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.555 2.85 2 C5'-C4'-C3' 107.878 -5.082 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.795 " H4'" " H5'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.88 2 C5'-C4'-C3' 107.613 -5.258 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.972 " H4'" ' OP1' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.965 2 C5'-C4'-C3' 107.081 -5.612 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.979 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.435 1.752 1 C5'-C4'-C3' 107.457 -5.362 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.815 H5'' " C1'" ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.862 2 C5'-C4'-C3' 106.988 -5.675 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.966 " O2'" H5'' ' 2' ' 23' ' ' ' C' . . . . . . . . 1 C4'--C3' 1.57 4.161 2 C5'-C4'-C3' 107.894 -5.071 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.966 H5'' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.996 1 C5'-C4'-C3' 108.664 -4.558 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.64 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.994 1 C5'-C4'-C3' 107.905 -5.063 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.701 ' C4 ' ' C5 ' ' 2' ' 26' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.231 1 C5'-C4'-C3' 108.137 -4.909 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.848 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.594 6.385 1 C5'-C4'-C3' 109.288 -4.142 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.852 ' H1 ' ' NH2' ' 1' ' 1' ' ' ARG . . . . . . . . 0 C4'--C3' 1.564 3.597 1 C3'-C2'-C1' 105.106 4.007 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.486 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.446 2.636 0 C5'-C4'-C3' 109.691 -3.872 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.578 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.314 0 C3'-C2'-C1' 104.964 3.848 . 0.614 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.618 ' N4 ' ' N4 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.436 1 C5'-C4'-C3' 108.893 -4.405 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.618 ' N4 ' ' N4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.553 2.614 2 C3'-C2'-C1' 105.872 4.857 . 0.108 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 1' ' ' ARG . . . . . 0.909 HH12 HG11 ' 1' ' 12' ' ' VAL . 2.3 tmm_? . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 121.229 0.538 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.02 135.82 62.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.852 . . . . 0.0 108.847 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 3' ' ' ARG . . . . . 0.9 HH12 ' NH1' ' 1' ' 1' ' ' ARG . 66.5 mtm-85 -93.38 93.98 8.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.079 -1.013 . . . . 0.0 109.352 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 4' ' ' THR . . . . . 0.718 ' CG2' ' HE ' ' 1' ' 9' ' ' ARG . 3.1 p -63.62 54.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.367 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . 0.631 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 6.0 ttt-85 -40.45 119.5 1.09 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.231 -0.918 . . . . 0.0 109.6 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 6' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' 1' ' 5' ' ' ARG . . . 42.13 -92.11 0.01 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 7' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' 1' ' 5' ' ' ARG . 47.8 mttp -122.55 -6.84 8.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.18 -1.188 . . . . 0.0 109.297 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . 0.807 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 18.0 mmt-85 -82.95 176.33 9.36 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.743 -1.223 . . . . 0.0 110.011 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 9' ' ' ARG . . . . . 0.718 ' HE ' ' CG2' ' 1' ' 4' ' ' THR . 13.4 mmt85 -140.46 112.38 7.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.165 -0.96 . . . . 0.0 109.8 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 10' ' ' ILE . . . . . 0.6 HG13 ' H5 ' ' 2' ' 10' ' ' ' U' . 6.5 mm -110.33 86.21 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.36 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -54.73 141.84 30.91 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.198 -0.939 . . . . 0.0 110.059 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 12' ' ' VAL . . . . . 0.909 HG11 HH12 ' 1' ' 1' ' ' ARG . 54.6 t -149.23 81.06 7.58 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 13' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.573 36.0 Cg_exo 73.67 -121.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.568 2.179 . . . . 0.0 110.301 -177.126 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.476 ' CB ' ' OP2' ' 2' ' 7' ' ' ' U' . 82.0 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.263 2.642 . . . . 0.0 110.976 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.013 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.832 2 C5'-C4'-C3' 107.433 -5.378 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.013 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.977 2 C5'-C4'-C3' 108.658 -4.561 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.693 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.465 1 C5'-C4'-C3' 108.213 -4.858 . 0.095 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.492 " H2'" ' H6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.278 1 C5'-C4'-C3' 109.139 -4.241 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.941 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.372 0 C5'-C4'-C3' 109.549 -3.967 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.941 " H5'" " O2'" ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.37 1 C5'-C4'-C3' 108.394 -4.737 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.681 ' N3 ' ' N7 ' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.228 2 C5'-C4'-C3' 108.241 -4.84 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.72 " O2'" " H5'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.066 2 C5'-C4'-C3' 106.264 -6.158 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.5 ' P ' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.801 2 C5'-C4'-C3' 107.544 -5.304 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.814 " H2'" " O4'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.853 2 C5'-C4'-C3' 106.95 -5.7 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.814 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.882 2 C3'-C2'-C1' 105.788 4.764 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.604 ' C4 ' ' C4 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.909 1 C5'-C4'-C3' 108.393 -4.738 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.832 H5'' ' H6 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.865 1 C5'-C4'-C3' 106.313 -6.125 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.969 H5'' ' O2 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.432 -1.77 2 C5'-C4'-C3' 107.446 -5.369 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 18' ' ' ' A' . . . . . 1.03 " H4'" " H5'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.846 2 C5'-C4'-C3' 107.613 -5.258 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 19' ' ' ' U' . . . . . 1.03 " H5'" " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.886 2 C5'-C4'-C3' 108.011 -4.993 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.925 " C1'" H5'' ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.436 1.821 1 C5'-C4'-C3' 107.845 -5.104 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.925 H5'' " C1'" ' 2' ' 20' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.501 -2.105 2 C5'-C4'-C3' 106.395 -6.07 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.762 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.432 -1.778 2 C5'-C4'-C3' 107.06 -5.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.654 ' N4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.01 1 C5'-C4'-C3' 108.344 -4.771 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.654 ' O4 ' ' N4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.561 3.338 2 C5'-C4'-C3' 108.124 -4.917 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.595 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.288 1 C5'-C4'-C3' 108.163 -4.891 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.847 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.59 6.044 1 C5'-C4'-C3' 108.663 -4.558 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.847 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.565 3.744 1 C3'-C2'-C1' 105.142 4.047 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.529 " H5'" " O2'" ' 2' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.572 0 O4'-C1'-N19 112.104 3.904 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.658 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.322 0 C3'-C2'-C1' 105.012 3.902 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.658 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.432 1 C5'-C4'-C3' 108.976 -4.35 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.633 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.55 2.376 2 C3'-C2'-C1' 105.797 4.774 . 0.065 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 1' ' ' ARG . . . . . 0.658 ' NH1' ' C5 ' ' 2' ' 8' ' ' ' C' . 7.0 mtm-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.237 0.542 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 2' ' ' VAL . . . . . 0.814 ' O ' HG23 ' 1' ' 2' ' ' VAL . 18.2 m -138.25 91.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.314 -0.866 . . . . 0.0 108.795 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 3' ' ' ARG . . . . . 0.845 ' NH1' ' N7 ' ' 2' ' 11' ' ' ' G' . 28.4 mtm180 -55.51 81.3 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.071 -1.018 . . . . 0.0 109.332 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 4' ' ' THR . . . . . 0.611 ' N ' ' O ' ' 1' ' 2' ' ' VAL . 42.5 m -60.9 81.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 0.0 109.382 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . 0.675 ' HE ' " C2'" ' 2' ' 10' ' ' ' U' . 4.4 mmt85 -39.34 -92.12 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.081 -1.012 . . . . 0.0 109.627 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.6 -62.32 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -100.93 7.93 43.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.091 -1.241 . . . . 0.0 109.28 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . 0.675 ' NE ' ' C2 ' ' 2' ' 18' ' ' ' A' . 30.4 mmt-85 -135.64 -161.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.899 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 9' ' ' ARG . . . . . 0.979 ' O ' " H5'" ' 2' ' 21' ' ' ' A' . 26.6 ttm-85 -165.1 112.63 1.0 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.845 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 10' ' ' ILE . . . . . 0.494 HD12 ' O6 ' ' 2' ' 22' ' ' ' G' . 6.0 mm -94.43 164.5 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.14 -0.975 . . . . 0.0 109.321 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 11' ' ' ARG . . . . . 0.569 ' HD3' HG12 ' 1' ' 2' ' ' VAL . 7.4 tpp85 -120.57 123.23 42.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.188 -0.945 . . . . 0.0 110.009 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 12' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' 1' ' 1' ' ' ARG . 59.8 t -125.2 84.65 59.23 Favored Pre-proline 0 N--CA 1.494 1.735 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 13' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.573 30.8 Cg_endo 48.88 -102.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.542 2.162 . . . . 0.0 110.328 -177.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' 1' ' 13' ' ' PRO . 79.1 Cg_endo . . . . . 0 C--N 1.297 -2.134 0 C-N-CA 123.197 2.598 . . . . 0.0 110.991 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.056 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.809 2 C5'-C4'-C3' 107.258 -5.495 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.056 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.134 2 C3'-C2'-C1' 105.51 4.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.702 " H5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.389 1 C5'-C4'-C3' 108.067 -4.955 . 0.104 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.546 " H2'" ' H6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.248 1 C5'-C4'-C3' 109.476 -4.016 . 0.012 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.807 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.328 1 C5'-C4'-C3' 109.09 -4.273 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.807 " H5'" " O2'" ' 2' ' 8' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.805 1 C5'-C4'-C3' 109.257 -4.162 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.798 ' C4 ' ' NH1' ' 1' ' 3' ' ' ARG . . . . . . . . 0 C4'--C3' 1.552 2.578 2 C5'-C4'-C3' 106.644 -5.904 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' 2' 2 ' 11' ' ' ' G' . . . . . 1.107 " O2'" H5'' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.557 2.994 2 C5'-C4'-C3' 107.08 -5.613 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.623 " H4'" " O5'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.432 -1.762 2 C5'-C4'-C3' 107.61 -5.26 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' 2' 2 ' 13' ' ' ' A' . . . . . 1.107 H5'' " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.828 2 C3'-C2'-C1' 105.389 4.321 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.843 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.943 2 C3'-C2'-C1' 105.788 4.765 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.549 " H2'" ' C6 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.961 2 C5'-C4'-C3' 107.796 -5.136 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.158 ' O2 ' ' H5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.56 3.296 1 C5'-C4'-C3' 107.854 -5.097 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.158 ' H5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.836 2 C5'-C4'-C3' 107.872 -5.085 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.807 ' N3 ' ' H5 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.94 2 C3'-C2'-C1' 105.865 4.849 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.785 H5'' " C4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.964 2 C5'-C4'-C3' 107.111 -5.593 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' 2' 2 ' 20' ' ' ' U' . . . . . 1.093 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.859 2 C5'-C4'-C3' 107.685 -5.21 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.979 " H5'" ' O ' ' 1' ' 9' ' ' ARG . . . . . . . . 1 C4'--C3' 1.474 -4.567 2 C5'-C4'-C3' 106.027 -6.315 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.675 ' C8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.564 3.666 2 C5'-C4'-C3' 107.232 -5.512 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.657 ' C5 ' ' C4 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.904 1 C5'-C4'-C3' 108.893 -4.405 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.682 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.935 2 C5'-C4'-C3' 108.058 -4.962 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.682 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.199 1 C5'-C4'-C3' 108.315 -4.79 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.856 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.583 5.4 1 C5'-C4'-C3' 108.86 -4.427 OUTLIER-EPSILON 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.856 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.813 1 C3'-C2'-C1' 105.123 4.025 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.517 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.586 1 C5'-C4'-C3' 109.23 -4.18 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.582 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.222 0 C3'-C2'-C1' 105.029 3.922 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.615 ' N4 ' ' N4 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.444 2.472 1 C5'-C4'-C3' 108.915 -4.39 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.622 ' H42' ' H1 ' ' 2' ' 4' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.555 2.812 2 C3'-C2'-C1' 105.809 4.788 . 0.228 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 1' ' ' ARG . . . . . 0.796 HH22 ' CA ' ' 1' ' 3' ' ' ARG . 1.1 ptm180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.302 0.572 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 2' ' ' VAL . . . . . 0.415 ' C ' HH22 ' 1' ' 1' ' ' ARG . 0.7 OUTLIER -126.82 114.17 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.284 -0.885 . . . . 0.0 108.808 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 3' ' ' ARG . . . . . 0.796 ' CA ' HH22 ' 1' ' 1' ' ' ARG . 4.2 ttp180 -101.9 41.9 1.18 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.099 -1.001 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 4' ' ' THR . . . . . 0.474 ' O ' HG23 ' 1' ' 4' ' ' THR . 6.6 t -43.1 126.52 4.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . 0.656 ' NH2' ' C8 ' ' 2' ' 14' ' ' ' G' . 13.2 ttm180 -69.44 -64.81 0.81 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.563 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.36 0.02 OUTLIER Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -99.9 -12.04 20.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -1.207 . . . . 0.0 109.258 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . 0.885 ' NH2' ' C4 ' ' 2' ' 21' ' ' ' A' . 2.2 mmm180 -101.0 -158.3 0.66 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.431 -1.418 . . . . 0.0 109.966 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 9' ' ' ARG . . . . . 0.98 ' O ' HD13 ' 1' ' 10' ' ' ILE . 22.7 ttt180 -146.39 147.81 31.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.79 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 10' ' ' ILE . . . . . 0.98 HD13 ' O ' ' 1' ' 9' ' ' ARG . 3.6 mm -139.27 72.89 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.153 -0.967 . . . . 0.0 109.362 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -59.86 134.87 57.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.221 -0.924 . . . . 0.0 110.044 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 12' ' ' VAL . . . . . 0.622 HG21 ' NH2' ' 1' ' 3' ' ' ARG . 61.5 t -138.86 87.16 14.69 Favored Pre-proline 0 N--CA 1.493 1.724 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 13' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' 1' ' 14' ' ' PRO 2.572 51.9 Cg_exo 80.63 -124.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.52 2.147 . . . . 0.0 110.326 -175.738 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.486 ' HG2' " H3'" ' 2' ' 7' ' ' ' U' . 73.8 Cg_endo . . . . . 0 C--N 1.297 -2.167 0 C-N-CA 123.232 2.621 . . . . 0.0 110.937 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.042 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.771 2 C5'-C4'-C3' 108.353 -4.765 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.042 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.058 2 C5'-C4'-C3' 108.458 -4.695 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.728 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.454 1 C5'-C4'-C3' 107.824 -5.117 . 0.088 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.568 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.282 1 C5'-C4'-C3' 109.085 -4.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.669 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.461 1 C5'-C4'-C3' 109.171 -4.219 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.729 ' N3 ' ' N2 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.306 1 C5'-C4'-C3' 108.868 -4.422 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 10' ' ' ' U' . . . . . 1.036 ' O2 ' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.138 2 C5'-C4'-C3' 108.467 -4.689 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' 2' 2 ' 11' ' ' ' G' . . . . . 1.036 " H2'" ' O2 ' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.049 2 C5'-C4'-C3' 105.534 -6.644 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.55 " O4'" ' O2 ' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.833 2 C5'-C4'-C3' 107.549 -5.3 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.915 " H2'" " O4'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.901 2 C3'-C2'-C1' 105.355 4.283 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.915 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.55 2.326 1 C3'-C2'-C1' 105.65 4.612 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.508 " H2'" ' C6 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.973 1 C5'-C4'-C3' 108.026 -4.983 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.118 ' O2 ' ' C5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.553 2.613 1 C5'-C4'-C3' 107.063 -5.624 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.118 ' C5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 1 C4'--C3' 1.593 6.249 2 C5'-C4'-C3' 108.601 -4.599 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.955 ' OP2' ' H8 ' ' 2' ' 18' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.559 3.179 2 C5'-C4'-C3' 105.05 -6.967 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' 2' 2 ' 19' ' ' ' U' . . . . . 1.022 " H3'" ' P ' ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.958 2 C3'-C2'-C1' 105.876 4.862 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.996 ' OP1' " H4'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.833 1 C5'-C4'-C3' 107.938 -5.041 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.885 ' C4 ' ' NH2' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.923 2 C5'-C4'-C3' 105.393 -6.738 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.809 " O2'" ' H6 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.833 2 C5'-C4'-C3' 107.493 -5.338 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.809 ' H6 ' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.946 1 C5'-C4'-C3' 107.936 -5.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.571 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.988 1 C5'-C4'-C3' 107.687 -5.208 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.571 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.153 1 C5'-C4'-C3' 107.756 -5.162 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.863 " O2'" " H5'" ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.573 4.478 1 C5'-C4'-C3' 108.431 -4.712 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.863 " H5'" " O2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.861 1 C3'-C2'-C1' 105.155 4.061 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.531 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.586 1 C5'-C4'-C3' 109.257 -4.162 . 0.42 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.66 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.335 0 C3'-C2'-C1' 105.054 3.949 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.66 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.487 1 C5'-C4'-C3' 109.015 -4.323 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.655 ' C6 ' " H2'" ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.548 2.172 2 C3'-C2'-C1' 105.855 4.839 . 0.202 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 1' ' ' ARG . . . . . 0.769 ' NH1' ' C5 ' ' 2' ' 8' ' ' ' C' . 11.4 ttp-105 . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.304 0.573 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 2' ' ' VAL . . . . . 0.629 HG13 ' O ' ' 1' ' 2' ' ' VAL . 5.4 p -171.56 84.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.271 -0.893 . . . . 0.0 108.875 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 3' ' ' ARG . . . . . 0.78 ' CD ' ' H ' ' 1' ' 3' ' ' ARG . 0.0 OUTLIER -79.86 140.66 36.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.123 -0.986 . . . . 0.0 109.338 -178.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 4' ' ' THR . . . . . 0.465 ' C ' ' H ' ' 1' ' 6' ' ' GLY . 3.2 m -95.72 107.17 19.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.277 -0.889 . . . . 0.0 109.42 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . . . . . . . . . 59.9 ttt-85 -70.79 10.77 0.46 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.115 -0.991 . . . . 0.0 109.614 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 6' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' 1' ' 4' ' ' THR . . . 80.25 -85.71 1.31 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -62.39 -33.89 75.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.088 -1.242 . . . . 0.0 109.274 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . 1.05 ' NH1' ' C8 ' ' 2' ' 21' ' ' ' A' . 0.0 OUTLIER -134.92 -152.24 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.414 -0.804 . . . . 0.0 109.995 179.559 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 9' ' ' ARG . . . . . 0.725 ' CG ' ' H ' ' 1' ' 10' ' ' ILE . 6.5 ttp180 -160.07 -175.32 5.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.197 -0.939 . . . . 0.0 109.905 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 10' ' ' ILE . . . . . 0.725 ' H ' ' CG ' ' 1' ' 9' ' ' ARG . 0.2 OUTLIER -177.11 164.36 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.907 . . . . 0.0 109.329 179.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 11' ' ' ARG . . . . . 0.614 ' C ' HH12 ' 1' ' 3' ' ' ARG . 10.1 mmm180 -128.72 149.38 50.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 110.018 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 12' ' ' VAL . . . . . 0.713 HG12 ' NH1' ' 1' ' 3' ' ' ARG . 3.4 p -147.8 85.68 6.48 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.573 5.0 Cg_exo 82.58 -127.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 122.516 2.144 . . . . 0.0 110.326 -174.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo . . . . . 0 C--N 1.297 -2.143 0 C-N-CA 123.211 2.608 . . . . 0.0 110.957 178.588 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' 2' 2 ' 4' ' ' ' G' . . . . . 0.996 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.877 2 C5'-C4'-C3' 108.332 -4.778 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 5' ' ' ' G' . . . . . 0.996 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.063 2 C3'-C2'-C1' 105.441 4.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.698 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.341 1 C5'-C4'-C3' 108.629 -4.581 . 0.109 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.578 " H2'" ' H6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.212 0 C3'-C2'-C1' 104.973 3.858 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.787 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.432 1 C5'-C4'-C3' 108.918 -4.388 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.809 " C3'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.257 1 C5'-C4'-C3' 108.78 -4.48 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.826 " H4'" ' OP1' ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.141 2 C5'-C4'-C3' 107.811 -5.126 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.996 " H2'" H5'' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.14 2 C5'-C4'-C3' 106.385 -6.077 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.557 " H4'" ' OP2' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.795 2 C5'-C4'-C3' 107.707 -5.195 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.996 H5'' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.799 2 C5'-C4'-C3' 106.205 -6.197 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.919 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 1 C4'--C3' 1.576 4.76 1 C3'-C2'-C1' 105.722 4.691 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.757 " H2'" H5'' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 108.623 -4.585 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.757 H5'' " H2'" ' 2' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.019 1 C5'-C4'-C3' 106.611 -5.926 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.749 " H4'" ' OP1' ' 2' ' 18' ' ' ' A' . . . . . . . . 0 P--O5' 1.612 1.872 2 C5'-C4'-C3' 108.079 -4.947 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.992 " H4'" H5'' ' 2' ' 19' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.554 2.695 1 C3'-C2'-C1' 105.846 4.829 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.992 H5'' " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.013 2 C5'-C4'-C3' 107.679 -5.214 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' 2' 2 ' 20' ' ' ' U' . . . . . 1.003 ' C6 ' ' CZ ' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.956 2 C5'-C4'-C3' 107.476 -5.349 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' 2' 2 ' 21' ' ' ' A' . . . . . 1.05 ' C8 ' ' NH1' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.92 2 C5'-C4'-C3' 105.317 -6.789 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.938 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.432 -1.755 2 C5'-C4'-C3' 106.776 -5.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.631 ' N4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.984 1 C5'-C4'-C3' 108.319 -4.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.643 " H2'" " C1'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.983 2 C5'-C4'-C3' 107.568 -5.288 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.643 " C1'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.181 1 C5'-C4'-C3' 108.33 -4.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.842 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.575 4.633 1 C5'-C4'-C3' 108.286 -4.81 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.842 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.554 2.761 1 C3'-C2'-C1' 105.204 4.116 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.454 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.594 0 C5'-C4'-C3' 109.508 -3.995 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.651 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.552 2.515 0 C3'-C2'-C1' 104.959 3.844 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.678 " H2'" ' C6 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.447 1 C5'-C4'-C3' 109.097 -4.269 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.678 ' C6 ' " H2'" ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.554 2.772 2 C3'-C2'-C1' 105.829 4.81 . 0.173 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 1' ' ' ARG . . . . . 0.698 ' NH2' ' O6 ' ' 2' ' 9' ' ' ' G' . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.239 0.542 . . . . 0.0 109.611 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 2' ' ' VAL . . . . . 0.594 ' CG1' ' HE ' ' 1' ' 9' ' ' ARG . 0.8 OUTLIER -81.45 110.98 17.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.302 -0.874 . . . . 0.0 108.817 178.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 3' ' ' ARG . . . . . 0.822 ' NH2' ' N7 ' ' 2' ' 11' ' ' ' G' . 0.0 OUTLIER -79.61 102.03 8.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.038 -1.039 . . . . 0.0 109.283 -178.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 4' ' ' THR . . . . . . . . . . . . . 15.3 m -69.16 85.02 0.36 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.446 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . 0.596 ' HD3' " H2'" ' 2' ' 10' ' ' ' U' . 0.5 OUTLIER -58.68 -168.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.098 -1.001 . . . . 0.0 109.605 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 6' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' 1' ' 7' ' ' LYS . . . -85.84 103.38 2.75 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 7' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' 1' ' 6' ' ' GLY . 0.4 OUTLIER 78.33 4.89 2.67 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.153 -1.204 . . . . 0.0 109.315 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . 0.712 ' NE ' ' C2 ' ' 2' ' 18' ' ' ' A' . 9.9 mmt-85 -139.26 -162.84 1.38 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.546 -0.722 . . . . 0.0 109.91 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 9' ' ' ARG . . . . . 0.813 ' O ' " H5'" ' 2' ' 21' ' ' ' A' . 4.1 ttt180 -161.29 106.91 1.36 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.15 -0.969 . . . . 0.0 109.803 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 10' ' ' ILE . . . . . 0.537 HD13 ' N ' ' 1' ' 10' ' ' ILE . 2.7 mm -93.49 171.51 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.177 -0.952 . . . . 0.0 109.32 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 11' ' ' ARG . . . . . 0.413 ' H ' HG22 ' 1' ' 10' ' ' ILE . 14.7 ttm180 -139.12 139.9 37.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.151 -0.968 . . . . 0.0 110.05 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 12' ' ' VAL . . . . . 0.616 ' CG1' ' NH1' ' 1' ' 1' ' ' ARG . 12.5 t -149.8 82.76 6.53 Favored Pre-proline 0 N--CA 1.494 1.742 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.572 64.2 Cg_exo 84.93 -128.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.535 2.156 . . . . 0.0 110.298 -176.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.298 -2.103 0 C-N-CA 123.146 2.564 . . . . 0.0 110.907 -179.679 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' 2' 2 ' 4' ' ' ' G' . . . . . 0.972 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 P--O5' 1.61 1.723 2 C5'-C4'-C3' 107.11 -5.593 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 5' ' ' ' G' . . . . . 0.972 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.136 2 C3'-C2'-C1' 105.463 4.403 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.7 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.4 1 C5'-C4'-C3' 108.141 -4.906 . 0.099 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.554 " O5'" " O2'" ' 2' ' 6' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.185 1 C5'-C4'-C3' 109.035 -4.31 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.904 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.365 0 C5'-C4'-C3' 109.896 -3.736 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.904 " H5'" " O2'" ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.322 1 C5'-C4'-C3' 108.507 -4.662 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 10' ' ' ' U' . . . . . 1.002 ' O2 ' " H2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.145 2 C5'-C4'-C3' 107.779 -5.147 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' 2' 2 ' 11' ' ' ' G' . . . . . 1.073 " O2'" " H5'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.168 2 C5'-C4'-C3' 106.618 -5.922 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.797 ' OP2' " H4'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.846 2 C5'-C4'-C3' 107.674 -5.218 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' 2' 2 ' 13' ' ' ' A' . . . . . 1.073 " H5'" " O2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.912 2 C5'-C4'-C3' 109.045 -4.303 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.739 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.981 2 C3'-C2'-C1' 105.736 4.707 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.642 ' C4 ' ' C4 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.055 2 C5'-C4'-C3' 108.013 -4.991 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.877 " H2'" ' C6 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.554 2.733 1 C5'-C4'-C3' 107.614 -5.257 OUTLIER-EPSILON 0.01 1f . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.932 H5'' ' O2 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.883 2 C5'-C4'-C3' 108.439 -4.707 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.971 " H4'" " H5'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.544 1.799 2 C3'-C2'-C1' 105.857 4.841 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.971 " H5'" " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 C5'-C4'-C3' 107.407 -5.395 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.857 " C1'" H5'' ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.435 1.759 1 C5'-C4'-C3' 107.781 -5.146 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.902 " O2'" ' H8 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.918 2 C5'-C4'-C3' 106.903 -5.731 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.902 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.96 2 C5'-C4'-C3' 107.699 -5.201 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.621 ' N4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.017 1 C5'-C4'-C3' 107.744 -5.17 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.621 ' O4 ' ' N4 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.066 2 C5'-C4'-C3' 108.4 -4.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.574 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.213 1 C5'-C4'-C3' 109.055 -4.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.908 " O2'" " H5'" ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.577 4.78 1 C5'-C4'-C3' 109.438 -4.041 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.908 " H5'" " O2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.564 3.614 1 C3'-C2'-C1' 105.188 4.098 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.598 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.581 0 O4'-C1'-N19 112.045 3.845 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.695 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.552 2.568 0 C3'-C2'-C1' 104.949 3.832 . 0.313 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.695 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.506 1 C5'-C4'-C3' 109.045 -4.303 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.652 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.155 2 C3'-C2'-C1' 105.806 4.785 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 1' ' ' ARG . . . . . 0.964 HH22 ' N ' ' 1' ' 3' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.29 0.567 . . . . 0.0 109.56 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.92 116.12 51.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 O-C-N 121.282 -0.886 . . . . 0.0 108.828 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 3' ' ' ARG . . . . . 0.964 ' N ' HH22 ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -88.15 64.77 7.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 0.0 109.355 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 4' ' ' THR . . . . . 0.408 ' C ' ' O ' ' 1' ' 3' ' ' ARG . 93.9 m -45.09 89.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.173 -0.954 . . . . 0.0 109.431 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' 1' ' 3' ' ' ARG . 23.6 ttt-85 -64.8 -153.42 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.224 -0.923 . . . . 0.0 109.59 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 6' ' ' GLY . . . . . 0.41 ' H ' ' HG2' ' 1' ' 5' ' ' ARG . . . -58.93 -100.63 0.01 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -91.7 -1.88 57.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.122 -1.223 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . 0.698 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 50.5 mmt-85 -97.92 -155.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.337 -0.852 . . . . 0.0 109.961 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 9' ' ' ARG . . . . . 0.6 ' O ' " H5'" ' 2' ' 21' ' ' ' A' . 8.3 ttp180 -176.88 91.87 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.165 -0.959 . . . . 0.0 109.793 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 10' ' ' ILE . . . . . 0.422 HG13 ' N7 ' ' 2' ' 22' ' ' ' G' . 1.4 mp -96.07 150.83 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.356 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 11' ' ' ARG . . . . . 0.619 HH21 ' P ' ' 2' ' 21' ' ' ' A' . 11.2 mtm180 -121.18 156.15 33.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.111 -0.993 . . . . 0.0 110.044 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 12' ' ' VAL . . . . . 0.521 ' O ' HG12 ' 1' ' 12' ' ' VAL . 20.9 t -152.22 86.79 4.36 Favored Pre-proline 0 N--CA 1.493 1.72 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.57 75.6 Cg_exo 84.96 -131.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.549 2.166 . . . . 0.0 110.275 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.297 -2.133 0 C-N-CA 123.236 2.624 . . . . 0.0 110.935 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.012 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.778 2 C5'-C4'-C3' 107.361 -5.426 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.012 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.081 2 C5'-C4'-C3' 108.62 -4.587 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.713 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.441 1 C5'-C4'-C3' 108.296 -4.802 . 0.09 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.622 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.141 1 C5'-C4'-C3' 109.088 -4.275 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.713 " H2'" ' C8 ' ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.32 1 C5'-C4'-C3' 109.051 -4.299 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.85 " H2'" H5'' ' 2' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.352 1 C5'-C4'-C3' 108.059 -4.96 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.85 H5'' " H2'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.558 3.114 2 C5'-C4'-C3' 106.951 -5.699 OUTLIER-EPSILON 0.06 7r . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.873 " H4'" ' OP2' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.076 2 C5'-C4'-C3' 107.255 -5.496 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.882 " H4'" ' OP2' ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.544 1.851 2 C5'-C4'-C3' 107.875 -5.083 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.882 ' OP2' " H4'" ' 2' ' 12' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.924 2 C5'-C4'-C3' 106.605 -5.93 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.774 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.552 2.544 2 C5'-C4'-C3' 108.381 -4.746 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.604 " O2'" ' OP1' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.02 2 C5'-C4'-C3' 108.97 -4.354 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.133 ' O2 ' ' H5 ' ' 2' ' 17' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.564 3.624 1 C5'-C4'-C3' 106.627 -5.915 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' 2' 2 ' 17' ' ' ' C' . . . . . 1.133 ' H5 ' ' O2 ' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.556 2.902 2 C5'-C4'-C3' 108.23 -4.847 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.78 ' C8 ' " O2'" ' 2' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.773 2 C5'-C4'-C3' 106.037 -6.309 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.783 " O2'" " H5'" ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.892 2 C5'-C4'-C3' 107.338 -5.441 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.953 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.802 2 C5'-C4'-C3' 107.726 -5.183 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.838 H5'' " O4'" ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.874 2 C5'-C4'-C3' 105.657 -6.562 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.735 " O2'" ' H6 ' ' 2' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.844 2 C5'-C4'-C3' 106.95 -5.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.735 ' H6 ' " O2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.957 1 C5'-C4'-C3' 108.353 -4.765 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.887 " H2'" " O4'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.036 2 C5'-C4'-C3' 107.913 -5.058 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.887 " O4'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.121 1 C5'-C4'-C3' 109.087 -4.275 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.835 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.592 6.143 1 C5'-C4'-C3' 108.846 -4.436 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.835 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.556 2.875 1 C3'-C2'-C1' 105.175 4.083 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.546 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.533 1 C5'-C4'-C3' 109.359 -4.094 . 0.345 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.618 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.213 0 C3'-C2'-C1' 104.927 3.807 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.691 ' C4 ' ' N4 ' ' 2' ' 31' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.444 2.47 1 C5'-C4'-C3' 108.833 -4.445 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.691 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.063 2 C5'-C4'-C3' 108.094 -4.937 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 1' ' ' ARG . . . . . 0.884 ' NH2' ' C6 ' ' 2' ' 9' ' ' ' G' . 5.7 ptm180 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.321 0.581 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 2' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' 1' ' 11' ' ' ARG . 4.9 t -74.27 134.06 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.294 -0.879 . . . . 0.0 108.823 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 3' ' ' ARG . . . . . 0.726 ' NH2' ' C4 ' ' 2' ' 10' ' ' ' U' . 15.4 ttp85 -145.68 53.37 1.17 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.05 -1.031 . . . . 0.0 109.259 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 4' ' ' THR . . . . . 0.477 ' HB ' HH22 ' 1' ' 11' ' ' ARG . 3.7 t -52.01 141.82 17.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.234 -0.916 . . . . 0.0 109.433 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . 0.443 ' NH1' ' O4 ' ' 2' ' 16' ' ' ' U' . 25.9 ttt180 -84.03 21.42 1.35 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.125 -0.984 . . . . 0.0 109.538 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.56 -75.3 0.56 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 7' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -94.81 -25.92 16.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.176 -1.191 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . 0.811 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 6.9 mtt85 -94.73 -145.88 0.26 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 109.986 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 9' ' ' ARG . . . . . 0.413 ' H ' ' HB3' ' 1' ' 8' ' ' ARG . 42.8 ttt-85 -165.73 100.76 0.68 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.165 -0.959 . . . . 0.0 109.834 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 10' ' ' ILE . . . . . 0.58 ' O ' ' NE ' ' 1' ' 11' ' ' ARG . 1.3 mp -108.06 142.77 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.227 -0.921 . . . . 0.0 109.342 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 11' ' ' ARG . . . . . 0.58 ' NE ' ' O ' ' 1' ' 10' ' ' ILE . 0.6 OUTLIER -130.1 152.91 49.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.195 -0.941 . . . . 0.0 110.021 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 12' ' ' VAL . . . . . 0.615 HG23 ' CG ' ' 1' ' 1' ' ' ARG . 0.0 OUTLIER -154.42 87.73 3.47 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.476 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 13' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' 1' ' 12' ' ' VAL 2.573 5.4 Cg_exo 81.3 -135.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.552 2.168 . . . . 0.0 110.324 -174.695 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.493 ' O ' ' OP2' ' 2' ' 8' ' ' ' C' . 84.5 Cg_endo . . . . . 0 C--N 1.297 -2.164 0 C-N-CA 123.277 2.651 . . . . 0.0 110.947 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 2' 2 ' 4' ' ' ' G' . . . . . 0.998 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.544 1.851 2 C5'-C4'-C3' 107.899 -5.067 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 5' ' ' ' G' . . . . . 0.998 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 108.626 -4.582 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.711 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.44 1 C5'-C4'-C3' 107.938 -5.041 . 0.092 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.657 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.244 1 C5'-C4'-C3' 108.595 -4.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.906 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.404 1 C5'-C4'-C3' 108.044 -4.971 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.906 " H5'" " O2'" ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.234 1 C5'-C4'-C3' 107.523 -5.318 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.872 " H4'" ' OP1' ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.083 2 C5'-C4'-C3' 107.74 -5.173 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.872 ' OP1' " H4'" ' 2' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.03 2 C5'-C4'-C3' 106.783 -5.811 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.844 ' OP1' " H4'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.785 2 C5'-C4'-C3' 107.492 -5.339 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.8 " H2'" " O4'" ' 2' ' 14' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.879 2 C5'-C4'-C3' 107.724 -5.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.8 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 1 C4'--C3' 1.575 4.642 1 C3'-C2'-C1' 105.747 4.718 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' 2' 2 ' 15' ' ' ' C' . . . . . 1.02 " H2'" H5'' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.017 2 C5'-C4'-C3' 109.274 -4.151 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 16' ' ' ' U' . . . . . 1.02 H5'' " H2'" ' 2' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.901 1 C5'-C4'-C3' 105.78 -6.48 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.862 ' C6 ' " H2'" ' 2' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.865 2 C3'-C2'-C1' 105.601 4.556 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.977 " H4'" " H5'" ' 2' ' 19' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.954 2 C5'-C4'-C3' 108.223 -4.852 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.977 " H5'" " H4'" ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.915 2 C5'-C4'-C3' 107.345 -5.437 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' 2' 2 ' 20' ' ' ' U' . . . . . 1.034 " H2'" ' O2 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.814 2 C5'-C4'-C3' 107.558 -5.294 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' 2' 2 ' 21' ' ' ' A' . . . . . 0.936 " O2'" ' H8 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.847 2 C5'-C4'-C3' 107.053 -5.631 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 22' ' ' ' G' . . . . . 0.936 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.823 2 C5'-C4'-C3' 107.411 -5.392 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.614 ' C4 ' ' O4 ' ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.961 1 C5'-C4'-C3' 107.87 -5.087 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.628 " H2'" " C1'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.971 2 C5'-C4'-C3' 107.137 -5.575 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.628 " C1'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.192 1 C5'-C4'-C3' 107.839 -5.107 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.819 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.587 5.689 1 C5'-C4'-C3' 109.001 -4.333 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.819 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.555 2.78 1 C3'-C2'-C1' 105.171 4.079 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.603 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.59 1 C5'-C4'-C3' 108.824 -4.451 . 0.327 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.721 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.279 0 C3'-C2'-C1' 104.975 3.861 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.721 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.348 1 C5'-C4'-C3' 108.675 -4.55 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.666 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.074 2 C3'-C2'-C1' 105.83 4.811 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 1' ' ' ARG . . . . . 0.829 ' NH2' ' C6 ' ' 2' ' 9' ' ' ' G' . 2.1 mtp180 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.25 0.548 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 2' ' ' VAL . . . . . . . . . . . . . 2.3 t -148.99 70.57 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.369 -0.832 . . . . 0.0 108.852 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 3' ' ' ARG . . . . . 0.895 ' NH2' HG12 ' 1' ' 12' ' ' VAL . 10.3 mtm-85 -75.61 90.07 2.78 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.054 -1.029 . . . . 0.0 109.345 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 4' ' ' THR . . . . . 0.608 ' O ' ' N ' ' 1' ' 6' ' ' GLY . 81.1 p -57.67 2.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.244 -0.91 . . . . 0.0 109.397 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 5' ' ' ARG . . . . . 0.589 ' H ' ' C ' ' 1' ' 3' ' ' ARG . 22.4 ttt180 39.13 23.62 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.608 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 6' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' 1' ' 4' ' ' THR . . . 92.91 -100.85 2.71 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' 1' ' 8' ' ' ARG . 5.0 pttp -86.31 -50.91 6.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.221 -1.164 . . . . 0.0 109.208 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 8' ' ' ARG . . . . . 0.834 ' NE ' ' N1 ' ' 2' ' 18' ' ' ' A' . 10.6 mmt-85 -59.79 -155.66 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.928 -1.108 . . . . 0.0 109.948 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 9' ' ' ARG . . . . . 0.477 ' NE ' HG22 ' 1' ' 4' ' ' THR . 13.9 ttm180 -170.42 113.63 0.45 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 0.0 109.814 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 10' ' ' ILE . . . . . 0.533 HD11 ' C5 ' ' 2' ' 21' ' ' ' A' . 0.6 OUTLIER -130.3 124.46 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.174 -0.954 . . . . 0.0 109.4 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -111.26 151.08 28.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.982 . . . . 0.0 110.01 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 12' ' ' VAL . . . . . 0.895 HG12 ' NH2' ' 1' ' 3' ' ' ARG . 7.4 p -147.83 94.66 4.32 Favored Pre-proline 0 N--CA 1.494 1.749 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 13' ' ' PRO . . . . . . . . . . . . 2.571 78.5 Cg_exo 85.55 -128.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.617 2.212 . . . . 0.0 110.358 -174.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.519 ' O ' ' OP2' ' 2' ' 8' ' ' ' C' . 94.7 Cg_endo . . . . . 0 C--N 1.297 -2.181 0 C-N-CA 123.214 2.609 . . . . 0.0 110.958 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 4' ' ' ' G' . . . . . 1.062 " O2'" ' H8 ' ' 2' ' 5' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.545 1.911 2 C5'-C4'-C3' 107.516 -5.323 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 5' ' ' ' G' . . . . . 1.062 ' H8 ' " O2'" ' 2' ' 4' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.156 2 C5'-C4'-C3' 108.554 -4.631 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 6' ' ' ' C' . . . . . 0.728 " C5'" " O2'" ' 2' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.309 1 C5'-C4'-C3' 107.915 -5.056 . 0.084 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 7' ' ' ' U' . . . . . 0.695 " H2'" ' C6 ' ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.17 1 C5'-C4'-C3' 108.579 -4.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 8' ' ' ' C' . . . . . 0.878 " O2'" " H5'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.365 1 C5'-C4'-C3' 108.458 -4.695 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 9' ' ' ' G' . . . . . 0.878 " H5'" " O2'" ' 2' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.236 1 C5'-C4'-C3' 107.021 -5.653 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 10' ' ' ' U' . . . . . 0.803 H5'' " C3'" ' 2' ' 9' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.554 2.733 2 C5'-C4'-C3' 107.414 -5.391 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 11' ' ' ' G' . . . . . 0.985 ' OP2' " H3'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.032 3 C5'-C4'-C3' 107.968 -5.021 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 12' ' ' ' U' . . . . . 0.553 " O4'" ' O2 ' ' 2' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.786 2 C5'-C4'-C3' 107.625 -5.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 13' ' ' ' A' . . . . . 0.821 H5'' " C2'" ' 2' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.943 2 C5'-C4'-C3' 107.169 -5.554 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 14' ' ' ' G' . . . . . 0.786 " O4'" " H2'" ' 2' ' 13' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 C5'-C4'-C3' 108.323 -4.785 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 15' ' ' ' C' . . . . . 0.827 " C2'" H5'' ' 2' ' 16' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.5 -2.158 1 C5'-C4'-C3' 107.414 -5.391 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 16' ' ' ' U' . . . . . 0.827 H5'' " C2'" ' 2' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.906 1 C5'-C4'-C3' 106.196 -6.203 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 17' ' ' ' C' . . . . . 0.701 ' C6 ' ' N7 ' ' 2' ' 18' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.847 2 C5'-C4'-C3' 108.438 -4.708 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 18' ' ' ' A' . . . . . 0.834 ' N1 ' ' NE ' ' 1' ' 8' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.881 2 C5'-C4'-C3' 107.262 -5.492 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 19' ' ' ' U' . . . . . 0.736 " H3'" ' C6 ' ' 2' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.907 2 C5'-C4'-C3' 107.416 -5.389 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 20' ' ' ' U' . . . . . 0.953 " C1'" H5'' ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.884 2 C5'-C4'-C3' 107.638 -5.242 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 21' ' ' ' A' . . . . . 1.077 " O2'" ' H8 ' ' 2' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.983 2 C5'-C4'-C3' 106.239 -6.174 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 22' ' ' ' G' . . . . . 1.077 ' H8 ' " O2'" ' 2' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.867 2 C5'-C4'-C3' 108.457 -4.695 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 23' ' ' ' C' . . . . . 0.904 ' C6 ' " H2'" ' 2' ' 22' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.562 3.47 1 C5'-C4'-C3' 108.221 -4.852 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 24' ' ' ' U' . . . . . 0.657 " H2'" " C1'" ' 2' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.062 2 C5'-C4'-C3' 107.657 -5.229 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 25' ' ' ' C' . . . . . 0.657 " C1'" " H2'" ' 2' ' 24' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.198 1 C5'-C4'-C3' 108.219 -4.854 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 26' ' ' ' C' . . . . . 0.777 " H2'" ' C8 ' ' 2' ' 27' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.589 5.948 1 C5'-C4'-C3' 108.962 -4.359 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' 2' 2 ' 27' ' ' ' G' . . . . . 0.777 ' C8 ' " H2'" ' 2' ' 26' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.551 2.423 0 C3'-C2'-C1' 105.082 3.98 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 28' ' ' ' A' . . . . . 0.624 " H2'" ' C8 ' ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.498 1 C5'-C4'-C3' 108.683 -4.545 . 0.057 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 29' ' ' ' G' . . . . . 0.729 " H2'" ' C6 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.164 0 C5'-C4'-C3' 109.677 -3.882 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 30' ' ' ' C' . . . . . 0.729 ' C6 ' " H2'" ' 2' ' 29' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.366 1 C5'-C4'-C3' 108.647 -4.569 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 31' ' ' ' C' . . . . . 0.678 ' N4 ' ' C4 ' ' 2' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.093 2 C5'-C4'-C3' 108.252 -4.832 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 stop_ save_