data_2n21_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 2n21 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.995 -0.842 . . . . 0.35 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -5.37 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.47 110.588 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 7' ' ' LEU . 6.5 mp -80.99 149.31 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.91 110.617 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.516 ' CD ' ' C ' ' A' ' 8' ' ' LYS . 1.2 tptp -132.43 120.69 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 1.24 110.43 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.642 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 98.45 -175.28 29.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.45 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -41.71 -13.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.27 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.642 ' N ' ' O ' ' A' ' 9' ' ' GLY . 61.4 mt-10 -53.24 -47.93 68.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.85 110.602 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 tt -83.66 -31.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.59 110.674 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.02 -28.51 73.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.116 -0.794 . . . . 0.5 111.116 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 mmt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.72 110.69 -179.862 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 111.0 -0.84 . . . . 0.41 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 3.96 53.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 1.04 110.6 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' N ' HD11 ' A' ' 7' ' ' LEU . 4.9 mp -84.8 169.14 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.87 110.546 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.34 128.79 19.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 1.25 110.634 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 96.65 171.3 34.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.069 -0.812 . . . . 0.44 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 9' ' ' GLY . 17.7 mtm105 -33.75 -25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.89 110.618 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 9' ' ' GLY . 3.2 mm-40 -41.35 -51.05 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 1.27 110.744 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.9 tt -85.62 -26.9 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.63 110.676 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.4 -10.09 78.52 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.016 -0.834 . . . . 0.31 111.016 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.5 mmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.711 0.291 . . . . 0.5 110.791 -179.826 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.969 -0.852 . . . . 0.37 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.6 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -105.57 12.82 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.6 110.444 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -89.65 173.48 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 1.07 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.32 130.5 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 1.92 110.605 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.602 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 92.75 -172.66 34.34 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.996 -0.842 . . . . 0.73 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 19.4 mtt85 -46.93 -9.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.327 . . . . 1.49 110.591 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.602 ' H ' ' C ' ' A' ' 9' ' ' GLY . 22.5 mt-10 -60.46 -44.88 95.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 1.39 110.654 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 tt -86.16 -26.22 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.41 110.561 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.472 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -77.57 -18.36 77.74 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.159 -0.776 . . . . 0.28 111.159 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.87 110.722 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 110.85 -0.9 . . . . 0.41 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -108.92 -10.04 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.299 . . . . 0.88 110.623 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.746 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.9 158.88 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.42 110.544 179.598 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 162.02 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.72 110.638 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 94.23 -163.67 25.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.895 -0.882 . . . . 0.75 110.895 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -53.28 -9.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.76 110.596 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 9' ' ' GLY . 5.4 tt0 -62.33 -56.68 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.96 110.753 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 tt -77.0 -31.89 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.86 110.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.15 -16.52 53.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.082 -0.807 . . . . 0.41 111.082 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.5 mmt . . . . . 0 C--N 1.33 -0.278 0 C-N-CA 120.945 -0.302 . . . . 1.06 110.924 -179.796 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.918 -0.873 . . . . 0.48 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.679 ' N ' ' ND1' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.53 11.85 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.72 110.571 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 10.8 mp -90.13 169.1 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.44 110.539 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.29 125.5 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 1.1 110.595 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.669 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 100.3 175.36 30.13 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.979 -0.848 . . . . 0.36 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.481 ' O ' ' SD ' ' A' ' 14' ' ' MET . 55.4 mtm180 -37.75 -19.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 1.07 110.532 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.669 ' N ' ' O ' ' A' ' 9' ' ' GLY . 7.5 mt-10 -49.61 -44.18 47.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.05 110.715 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.1 tt -86.44 -32.04 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.44 110.708 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.59 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -75.71 -9.49 84.88 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.087 -0.805 . . . . 0.27 111.087 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.715 0.293 . . . . 0.49 110.765 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.732 -0.947 . . . . 0.46 110.732 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 2.8 p-80 -95.2 5.15 52.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.88 110.373 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' HD13 ' A' ' 7' ' ' LEU . 4.7 mp -78.8 155.0 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.65 110.485 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' CD ' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -132.17 120.7 22.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.49 110.616 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.671 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 105.0 174.97 24.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.972 -0.851 . . . . 0.4 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLY . 29.2 mtm180 -36.98 -20.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 1.52 110.481 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.671 ' N ' ' O ' ' A' ' 9' ' ' GLY . 22.7 mt-10 -45.85 -48.86 15.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 1.55 110.741 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 HG21 ' A' ' 12' ' ' ILE . 18.1 tt -84.8 -26.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.87 110.808 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 -18.15 80.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.175 -0.77 . . . . 0.29 111.175 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.682 0.277 . . . . 0.71 110.806 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.807 -0.917 . . . . 0.47 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.633 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.26 -1.62 41.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.56 110.527 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 9.5 mp -85.19 160.16 19.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.84 110.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.95 125.21 11.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 2.15 110.538 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.12 -156.03 15.96 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.783 -0.927 . . . . 0.55 110.783 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -63.52 -21.9 66.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.809 0.338 . . . . 1.74 110.52 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.04 -48.07 22.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.95 110.51 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.8 tt -90.46 -26.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.55 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.45 -7.3 57.54 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.894 -0.882 . . . . 0.37 110.894 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.9 110.702 -179.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.813 -0.915 . . . . 0.3 110.813 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.583 ' N ' ' ND1' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -97.76 -4.28 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.43 110.573 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 8.4 mp -83.93 167.77 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.97 110.584 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 133.71 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 1.72 110.608 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 96.84 -172.51 28.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.853 -0.899 . . . . 0.36 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.588 ' O ' ' SD ' ' A' ' 14' ' ' MET . 26.1 mtm180 -46.54 -12.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.31 110.572 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' A' ' 9' ' ' GLY . 7.7 mt-10 -58.2 -50.24 74.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 1.03 110.555 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.482 HD13 HG22 ' A' ' 12' ' ' ILE . 11.6 tt -90.52 -26.13 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 1.11 110.491 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.27 -15.23 58.58 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.19 110.995 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.588 ' SD ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.53 110.708 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 111.192 -0.763 . . . . 0.52 111.192 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -92.86 11.6 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.662 0.268 . . . . 0.93 110.9 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mp -91.94 163.73 13.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.37 110.443 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' CD ' ' C ' ' A' ' 8' ' ' LYS . 8.1 tmtt? -152.45 120.41 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 1.17 110.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.06 -172.13 14.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.916 -0.874 . . . . 0.4 110.916 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 14' ' ' MET . 4.8 mtt180 -58.02 -12.23 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.66 110.494 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -51.76 -60.01 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 1.34 110.582 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.45 110.616 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.55 -23.85 64.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.36 111.05 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 24.1 mmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.5 110.685 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.97 -0.852 . . . . 0.52 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.68 -5.32 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.85 110.518 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 7' ' ' LEU . 5.5 mp -81.14 149.93 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.63 110.558 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.56 39.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 1.23 110.605 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 102.7 177.94 26.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 0.27 110.932 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' MET . 6.3 mtt180 -38.96 -17.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.8 110.516 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' A' ' 9' ' ' GLY . 2.6 mm-40 -49.64 -67.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.01 110.644 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 tt -68.51 -26.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.84 110.662 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.31 -20.78 78.65 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.067 -0.813 . . . . 0.24 111.067 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' ARG . 16.2 mmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 0.66 110.753 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.471 ' H3 ' ' H ' ' A' ' 2' ' ' MET . 18.5 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.471 ' H ' ' H3 ' ' A' ' 1' ' ' SER . 10.1 tpt -136.88 -31.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 1.43 110.594 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.59 154.14 41.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.08 110.495 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' CE1' ' A' ' 6' ' ' HIS . 19.2 Cg_endo -61.23 -72.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.75 2.3 . . . . 0.41 112.056 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.71 -35.51 1.62 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.995 -0.842 . . . . 0.35 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.451 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -80.02 -5.37 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.47 110.588 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 7' ' ' LEU . 6.5 mp -80.99 149.31 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.91 110.617 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 1.2 tptp -132.43 120.69 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 1.24 110.43 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.642 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 98.45 -175.28 29.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.45 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -41.71 -13.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.27 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.642 ' N ' ' O ' ' A' ' 9' ' ' GLY . 61.4 mt-10 -53.24 -47.93 68.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.85 110.602 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 tt -83.66 -31.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.59 110.674 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.02 -28.51 73.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.116 -0.794 . . . . 0.5 111.116 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 mmt -101.4 3.84 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.72 110.69 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -88.45 -38.27 15.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.4 110.539 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.689 ' CE2' ' O ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -173.03 45.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.57 110.75 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.619 ' C ' ' H ' ' A' ' 19' ' ' LYS . . . -45.09 -16.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 0.46 110.347 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -66.86 15.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.566 . . . . 1.49 110.572 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.689 ' O ' ' CE2' ' A' ' 16' ' ' TYR . 18.7 mtmt 62.75 -106.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.89 110.425 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.575 ' CG ' ' OP1' ' B' ' 11' ' ' ' DG' . 3.0 pt20 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.978 -1.011 . . . . 0.99 110.648 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.079 0 O4'-C4'-C3' 107.233 1.633 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.854 0 C4'-C3'-C2' 104.852 1.652 . . . . 1.28 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.402 " O4'" ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.9 0 C4'-C3'-C2' 104.957 1.757 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 C4'-C3'-C2' 105.066 1.866 . . . . 0.49 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.847 " H4'" " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.901 0 O4'-C4'-C3' 107.227 1.627 . . . . 0.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.847 " O5'" " H4'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.035 0 C4'-C3'-C2' 104.777 1.577 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.003 0 C4'-C3'-C2' 105.13 1.93 . . . . 0.33 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.456 ' C8 ' ' N2 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 C4'-C3'-C2' 104.93 1.73 . . . . 0.39 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.931 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.809 0 O4'-C4'-C3' 107.078 1.478 . . . . 0.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.931 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.776 0 O4'-C4'-C3' 107.216 1.616 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.575 ' OP1' ' CG ' ' A' ' 20' ' ' GLN . . . . . . . . 0 C5'--C4' 1.526 1.846 0 C4'-C3'-C2' 105.104 1.904 . . . . 0.47 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.052 0 C4'-C3'-C2' 104.89 1.69 . . . . 0.48 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . 0.474 ' N2 ' ' C8 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 107.207 1.607 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.782 " H1'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C4'-C3' 107.433 1.833 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.782 ' OP2' " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.921 0 C3'-C2'-C1' 100.701 -1.428 . . . . 0.49 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.606 ' OP2' ' C8 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.325 0 C4'-C3'-C2' 104.852 1.652 . . . . 0.46 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.856 0 O4'-C4'-C3' 107.213 1.613 . . . . 0.43 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.005 0 O4'-C4'-C3' 107.212 1.612 . . . . 0.96 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.296 -0.631 . . . . 1.71 109.296 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.71 165.76 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 1.19 110.509 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 47.82 73.69 0.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 1.26 110.607 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.653 ' O ' ' CE1' ' A' ' 6' ' ' HIS . 67.6 Cg_exo -45.75 -72.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.857 2.371 . . . . 0.59 112.195 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.27 -32.57 0.67 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.0 -0.84 . . . . 0.41 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.653 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -95.75 3.96 53.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 1.04 110.6 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' N ' HD11 ' A' ' 7' ' ' LEU . 4.9 mp -84.8 169.14 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.87 110.546 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HG2' ' N3 ' ' B' ' 15' ' ' ' DG' . 0.0 OUTLIER -143.34 128.79 19.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 1.25 110.634 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 96.65 171.3 34.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.069 -0.812 . . . . 0.44 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 9' ' ' GLY . 17.7 mtm105 -33.75 -25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.89 110.618 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 9' ' ' GLY . 3.2 mm-40 -41.35 -51.05 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 1.27 110.744 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.9 tt -85.62 -26.9 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.63 110.676 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.4 -10.09 78.52 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.016 -0.834 . . . . 0.31 111.016 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.541 ' O ' ' C ' ' A' ' 15' ' ' TRP . 27.5 mmt -110.16 -51.12 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.711 0.291 . . . . 0.5 110.791 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.541 ' C ' ' O ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -28.37 -58.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 1.48 110.643 -179.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 17' ' ' ALA . 6.0 p90 -154.11 -25.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.366 . . . . 1.23 110.656 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 16' ' ' TYR . . . 54.24 176.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.41 110.706 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.72 ' H ' ' H22' ' B' ' 7' ' ' ' DG' . 1.2 tttp -66.64 -13.59 61.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 1.08 110.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.58 ' O ' ' OXT' ' A' ' 20' ' ' GLN . 23.8 ttmt -45.51 -40.36 8.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.177 -0.465 . . . . 1.5 110.265 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.58 ' OXT' ' O ' ' A' ' 19' ' ' LYS . 17.5 tp60 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.987 -1.006 . . . . 0.85 110.607 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.132 0 O4'-C4'-C3' 107.23 1.63 . . . . 1.01 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.415 ' OP1' " O4'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.871 0 C4'-C3'-C2' 104.762 1.562 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.532 ' C8 ' ' N2 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.803 0 O4'-C4'-C3' 107.421 1.821 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.861 0 C4'-C3'-C2' 105.013 1.813 . . . . 0.43 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.768 " H4'" " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.015 0 O4'-C4'-C3' 107.286 1.686 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.768 " O5'" " H4'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 C4'-C3'-C2' 104.909 1.709 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.72 ' H22' ' H ' ' A' ' 18' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C4'-C3' 107.425 1.825 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.714 ' H22' ' NZ ' ' A' ' 18' ' ' LYS . . . . . . . . 0 C5'--C4' 1.528 2.07 0 C4'-C3'-C2' 105.092 1.892 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.4 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.842 0 O4'-C4'-C3' 107.403 1.803 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.4 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.057 0 O4'-C4'-C3' 107.217 1.617 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.462 " H2'" ' HZ2' ' A' ' 18' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.023 0 C4'-C3'-C2' 105.052 1.852 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.073 0 C4'-C3'-C2' 105.197 1.997 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . 0.807 " H1'" ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.683 0 C4'-C3'-C2' 104.884 1.684 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.807 ' OP2' " H1'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.941 0 C4'-C3'-C2' 104.898 1.698 . . . . 1.07 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.413 ' N3 ' ' HG2' ' A' ' 8' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.857 0 O4'-C4'-C3' 107.491 1.891 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.116 ' N3 ' ' H71' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.817 0 O4'-C4'-C3' 107.243 1.643 . . . . 0.47 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.884 " H1'" ' OP2' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.913 0 C4'-C3'-C2' 105.157 1.957 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . 1.116 ' H71' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 P--O5' 1.61 1.728 0 C3'-C2'-C1' 100.544 -1.54 . . . . 0.49 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.427 -0.583 . . . . 1.63 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -92.69 -39.73 11.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 1.43 110.529 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -75.17 169.25 21.25 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 1.04 110.511 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 3' ' ' HIS . 67.9 Cg_exo -46.19 179.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.858 2.372 . . . . 0.43 112.157 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.8 -48.03 1.07 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.969 -0.852 . . . . 0.37 110.969 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.6 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -105.57 12.82 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.6 110.444 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -89.65 173.48 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 1.07 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HG2' ' N3 ' ' B' ' 15' ' ' ' DG' . 0.5 OUTLIER -159.32 130.5 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 1.92 110.605 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.602 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 92.75 -172.66 34.34 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.996 -0.842 . . . . 0.73 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 19.4 mtt85 -46.93 -9.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.327 . . . . 1.49 110.591 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.602 ' H ' ' C ' ' A' ' 9' ' ' GLY . 22.5 mt-10 -60.46 -44.88 95.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 1.39 110.654 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 tt -86.16 -26.22 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.41 110.561 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.472 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -77.57 -18.36 77.74 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.159 -0.776 . . . . 0.28 111.159 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -117.04 12.01 14.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.87 110.722 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -83.03 -54.51 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 1.16 110.539 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.715 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -177.89 53.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 1.16 110.555 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.57 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -22.74 96.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.964 -0.562 . . . . 1.01 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' TYR . 2.6 ttpp -66.85 -19.07 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.25 110.609 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mttp 52.14 -106.52 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 1.35 110.645 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.965 -1.017 . . . . 2.0 110.641 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.576 " H4'" ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.031 0 O4'-C4'-C3' 107.246 1.646 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.576 ' OP2' " H4'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C4'-C3' 107.211 1.611 . . . . 0.75 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.602 ' OP1' " H4'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.878 0 C4'-C3'-C2' 105.065 1.865 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.972 0 C4'-C3'-C2' 104.905 1.705 . . . . 0.45 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.781 0 O4'-C4'-C3' 107.234 1.634 . . . . 0.7 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.723 " H1'" ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.977 0 C4'-C3'-C2' 104.806 1.606 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.723 ' OP2' " H1'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.377 1.777 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.052 0 C1'-O4'-C4' 107.048 -1.895 . . . . 0.49 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.455 ' N2 ' ' C8 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.899 0 O4'-C4'-C3' 107.14 1.54 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.944 0 O4'-C4'-C3' 106.854 1.254 . . . . 1.16 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.469 " H4'" ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.493 1.893 . . . . 0.45 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.455 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.014 0 C4'-C3'-C2' 104.975 1.775 . . . . 0.33 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . 0.549 ' N2 ' ' C8 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.833 0 O4'-C4'-C3' 107.19 1.59 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.8 " H1'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.933 0 O4'-C1'-C2' 108.2 1.909 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.8 ' OP2' " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.084 0 C4'-C3'-C2' 105.167 1.967 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.549 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.349 1.749 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C4'-C3' 107.266 1.666 . . . . 0.56 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.051 0 O4'-C4'-C3' 107.134 1.534 . . . . 1.11 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.435 -0.58 . . . . 1.42 109.435 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.2 tpp -176.91 2.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 2.03 110.656 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.693 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 5.0 m170 -106.18 147.69 35.29 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.92 110.428 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.525 ' O ' ' O ' ' A' ' 3' ' ' HIS . 88.5 Cg_exo -32.74 161.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.207 2.605 . . . . 0.55 112.581 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.95 -15.06 1.9 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.85 -0.9 . . . . 0.41 110.85 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.693 ' ND1' ' O ' ' A' ' 3' ' ' HIS . 8.7 m80 -108.92 -10.04 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.299 . . . . 0.88 110.623 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.746 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.9 158.88 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.42 110.544 179.598 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 162.02 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.72 110.638 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 94.23 -163.67 25.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.895 -0.882 . . . . 0.75 110.895 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.457 HH22 " H5'" ' B' ' 4' ' ' ' DG' . 15.9 mtt-85 -53.28 -9.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.76 110.596 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 9' ' ' GLY . 5.4 tt0 -62.33 -56.68 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.96 110.753 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 tt -77.0 -31.89 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.86 110.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.15 -16.52 53.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.082 -0.807 . . . . 0.41 111.082 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.5 mmt -118.73 -20.0 8.44 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.945 -0.302 . . . . 1.06 110.924 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -95.02 -31.2 13.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.492 -0.322 . . . . 0.68 111.047 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -125.85 29.7 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.853 -0.339 . . . . 0.92 111.158 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.45 66.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.032 0.444 . . . . 0.45 110.095 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -7.57 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.44 110.512 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mttt 54.66 -95.21 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 1.14 110.548 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.971 -1.014 . . . . 0.93 110.539 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.816 " H4'" ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.119 0 O4'-C4'-C3' 107.259 1.659 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.816 ' OP2' " H4'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.804 0 O4'-C4'-C3' 107.173 1.573 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.737 ' OP1' " H1'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.754 0 O4'-C4'-C3' 107.337 1.737 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.457 " H5'" HH22 ' A' ' 10' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.842 0 C4'-C3'-C2' 105.071 1.871 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.741 " H1'" ' OP2' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.822 0 C4'-C3'-C2' 105.116 1.916 . . . . 0.39 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.741 ' OP2' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.079 0 O4'-C4'-C3' 107.177 1.577 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.506 ' N3 ' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.815 0 O4'-C4'-C3' 107.408 1.808 . . . . 0.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.506 ' C8 ' ' N3 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.105 0 C4'-C3'-C2' 105.195 1.995 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.51 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.833 0 O4'-C4'-C3' 107.36 1.76 . . . . 0.51 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.51 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.892 0 C4'-C3'-C2' 105.082 1.882 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.79 0 C4'-C3'-C2' 105.008 1.808 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.871 0 C4'-C3'-C2' 105.109 1.909 . . . . 0.54 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . 0.894 " H1'" ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.77 0 C4'-C3'-C2' 105.028 1.828 . . . . 0.8 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.894 ' OP2' " H1'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C4'-C3' 106.857 1.257 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.516 " O5'" " H4'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.16 0 C4'-C3'-C2' 105.2 2.0 . . . . 0.49 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.509 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.944 0 O4'-C4'-C3' 107.387 1.787 . . . . 0.34 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.919 0 C4'-C3'-C2' 105.023 1.823 . . . . 0.34 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.981 0 O4'-C4'-C3' 107.228 1.628 . . . . 1.15 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.389 -0.597 . . . . 1.4 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.8 mtm -153.64 -0.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.66 110.492 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.505 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -66.92 -50.84 41.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.95 110.558 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 3' ' ' HIS . 58.9 Cg_exo -47.24 163.99 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.845 2.363 . . . . 0.49 112.096 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.78 -53.42 0.58 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.918 -0.873 . . . . 0.48 110.918 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.679 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.53 11.85 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.72 110.571 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 10.8 mp -90.13 169.1 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.44 110.539 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HZ2' " H1'" ' B' ' 15' ' ' ' DG' . 0.2 OUTLIER -149.29 125.5 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 1.1 110.595 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.669 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 100.3 175.36 30.13 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.979 -0.848 . . . . 0.36 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.481 ' O ' ' SD ' ' A' ' 14' ' ' MET . 55.4 mtm180 -37.75 -19.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 1.07 110.532 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.669 ' N ' ' O ' ' A' ' 9' ' ' GLY . 7.5 mt-10 -49.61 -44.18 47.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.05 110.715 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.1 tt -86.44 -32.04 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.44 110.708 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.59 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -75.71 -9.49 84.88 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.087 -0.805 . . . . 0.27 111.087 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -118.06 -33.3 4.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.715 0.293 . . . . 0.49 110.765 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -33.97 -57.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.383 -0.371 . . . . 0.82 110.485 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -170.7 36.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.62 110.465 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -31.85 94.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 1.24 110.535 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 16' ' ' TYR . 6.5 pttt -75.79 2.22 12.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.26 110.579 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 10.3 ptpt 34.84 46.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.88 110.533 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.51 ' OXT' " C5'" ' B' ' 11' ' ' ' DG' . 1.1 tm0? . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.982 -1.009 . . . . 1.1 110.556 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.136 0 O4'-C4'-C3' 107.232 1.632 . . . . 1.72 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.82 0 O4'-C4'-C3' 106.925 1.325 . . . . 0.95 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.429 ' C2 ' ' HG2' ' A' ' 10' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.904 0 C4'-C3'-C2' 105.044 1.844 . . . . 0.31 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.873 0 C4'-C3'-C2' 104.894 1.694 . . . . 0.36 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.801 " H1'" ' OP2' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.028 0 C4'-C3'-C2' 105.274 2.074 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.801 ' OP2' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.088 0 O4'-C4'-C3' 107.232 1.632 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.601 " H4'" ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.018 0 O4'-C1'-C2' 107.843 1.584 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.636 ' N2 ' ' C4 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.096 0 C4'-C3'-C2' 105.016 1.816 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.741 " H1'" ' OP2' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.818 0 C4'-C3'-C2' 104.798 1.598 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.741 ' OP2' " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C4'-C3' 107.184 1.584 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.537 ' OP2' " H4'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.002 0 C4'-C3'-C2' 105.095 1.895 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.622 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.918 0 C4'-C3'-C2' 104.998 1.798 . . . . 0.47 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . 0.572 ' N2 ' ' C8 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.76 0 O4'-C4'-C3' 107.415 1.815 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.551 " H4'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 C4'-C3'-C2' 104.877 1.677 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.551 ' OP2' " H4'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.88 0 O4'-C4'-C3' 107.545 1.945 . . . . 0.49 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.572 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.766 0 O4'-C4'-C3' 107.372 1.772 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 O4'-C4'-C3' 107.208 1.608 . . . . 0.3 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.144 1.544 . . . . 0.89 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.36 -0.608 . . . . 1.05 109.36 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.08 98.45 4.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 1.12 110.661 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -112.49 153.03 45.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 1.39 110.477 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 3' ' ' HIS . 83.7 Cg_exo -40.0 177.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.851 2.367 . . . . 0.34 112.238 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.82 -48.82 0.9 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.732 -0.947 . . . . 0.46 110.732 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 2.8 p-80 -95.2 5.15 52.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.88 110.373 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' HD13 ' A' ' 7' ' ' LEU . 4.7 mp -78.8 155.0 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.65 110.485 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -132.17 120.7 22.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.49 110.616 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.671 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 105.0 174.97 24.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.972 -0.851 . . . . 0.4 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HG2' ' C4 ' ' B' ' 3' ' ' ' DG' . 29.2 mtm180 -36.98 -20.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 1.52 110.481 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.671 ' N ' ' O ' ' A' ' 9' ' ' GLY . 22.7 mt-10 -45.85 -48.86 15.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 1.55 110.741 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 HG21 ' A' ' 12' ' ' ILE . 18.1 tt -84.8 -26.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.87 110.808 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 -18.15 80.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.175 -0.77 . . . . 0.29 111.175 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.539 ' O ' ' C ' ' A' ' 15' ' ' TRP . 25.4 mmt -105.47 -61.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.682 0.277 . . . . 0.71 110.806 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.539 ' C ' ' O ' ' A' ' 14' ' ' MET . 3.1 t-105 -28.32 -47.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.72 110.674 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.685 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -174.46 143.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.54 110.582 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.65 103.05 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.44 110.439 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -66.77 -34.04 76.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.71 110.575 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.2 ptpt 22.96 61.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 1.39 110.842 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.968 -1.015 . . . . 1.16 110.508 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.615 " H4'" ' OP1' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.019 0 O4'-C4'-C3' 107.24 1.64 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.701 " H4'" ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O4'-C4'-C3' 107.205 1.605 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.701 ' OP2' " H4'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.909 0 C4'-C3'-C2' 104.947 1.747 . . . . 0.43 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.899 0 O4'-C4'-C3' 107.169 1.569 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.27 1.67 . . . . 0.55 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C4'-C3' 107.22 1.62 . . . . 1.11 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.487 " H4'" ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.834 0 O4'-C1'-C2' 107.826 1.569 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.4 ' N2 ' ' C4 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.421 -2.313 0 C1'-O4'-C4' 107.15 -1.822 . . . . 0.35 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.508 ' N2 ' ' C8 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.272 1.672 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C4'-C3' 107.259 1.659 . . . . 0.92 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.779 0 O4'-C4'-C3' 107.431 1.831 . . . . 0.56 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.508 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.054 0 C4'-C3'-C2' 104.99 1.79 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . 0.747 " H4'" " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C4'-C3' 107.214 1.614 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.747 " O5'" " H4'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 0 C4'-C3'-C2' 104.925 1.725 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.771 " H4'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.009 0 O4'-C4'-C3' 107.248 1.648 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.47 ' OP2' " H4'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 O4'-C4'-C3' 107.324 1.724 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.751 " H4'" ' OP1' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.853 0 O4'-C4'-C3' 107.202 1.602 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . 0.751 ' OP1' " H4'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 C1'-O4'-C4' 106.846 -2.038 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.516 ' O ' ' CB ' ' A' ' 2' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.326 -0.62 . . . . 1.45 109.326 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER 159.62 -46.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.81 110.439 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.466 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER 175.96 -52.93 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.75 110.511 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 3' ' ' HIS . 77.5 Cg_exo -45.26 170.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.767 2.312 . . . . 0.46 112.148 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.5 -49.02 1.49 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.807 -0.917 . . . . 0.47 110.807 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.633 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.26 -1.62 41.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.56 110.527 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 9.5 mp -85.19 160.16 19.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.84 110.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB2' ' N3 ' ' B' ' 15' ' ' ' DG' . 0.0 OUTLIER -147.95 125.21 11.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 2.15 110.538 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' N ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . 108.12 -156.03 15.96 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.783 -0.927 . . . . 0.55 110.783 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -63.52 -21.9 66.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.809 0.338 . . . . 1.74 110.52 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.04 -48.07 22.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.95 110.51 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.8 tt -90.46 -26.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.55 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.45 -7.3 57.54 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.894 -0.882 . . . . 0.37 110.894 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.0 mmt -118.35 -21.43 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.9 110.702 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -93.94 -41.35 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.64 110.756 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.21 24.26 13.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.8 110.781 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 19' ' ' LYS . . . -80.86 11.53 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.9 110.405 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -68.38 2.83 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 1.16 110.55 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 17' ' ' ALA . 12.8 mttp 60.0 -116.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 1.81 110.57 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.97 -1.014 . . . . 1.37 110.562 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.844 " H1'" ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.046 0 C4'-C3'-C2' 105.03 1.83 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.957 " H4'" ' OP1' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.934 0 O4'-C4'-C3' 107.213 1.613 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.735 " H3'" ' OP1' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.121 0 C4'-C3'-C2' 105.091 1.891 . . . . 0.49 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.957 ' OP1' " H4'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.934 0 C4'-C3'-C2' 104.912 1.712 . . . . 0.32 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.838 " H4'" " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.148 1.548 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.838 " O5'" " H4'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.793 0 O4'-C4'-C3' 107.243 1.643 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.208 0 C4'-C3'-C2' 105.071 1.871 . . . . 0.68 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.609 " H4'" ' OP1' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 C1'-O4'-C4' 107.015 -1.918 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.95 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.017 0 O4'-C4'-C3' 107.134 1.534 . . . . 0.43 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.95 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 C4'-C3'-C2' 104.911 1.711 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.836 0 C4'-C3'-C2' 104.963 1.763 . . . . 0.6 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.525 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 0 C4'-C3'-C2' 104.963 1.763 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . 0.594 " H4'" " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 107.14 1.54 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.594 " O5'" " H4'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.424 -1.963 0 C1'-O4'-C4' 107.13 -1.836 . . . . 0.97 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.477 ' C8 ' ' N2 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.88 0 O4'-C4'-C3' 107.549 1.949 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.404 ' N2 ' ' C8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.425 -1.945 0 C4'-C3'-C2' 104.914 1.714 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C4'-C3' 107.336 1.736 . . . . 0.54 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.061 0 O4'-C4'-C3' 107.106 1.506 . . . . 0.93 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.36 -0.607 . . . . 1.28 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 35.5 mtp -137.83 173.19 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 1.32 110.583 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -125.71 165.87 24.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.2 110.554 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 3' ' ' HIS . 75.6 Cg_exo -43.99 177.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.812 2.342 . . . . 0.39 112.203 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.42 -42.83 2.17 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.813 -0.915 . . . . 0.3 110.813 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.583 ' N ' ' ND1' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -97.76 -4.28 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.43 110.573 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 8.4 mp -83.93 167.77 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.97 110.584 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 133.71 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 1.72 110.608 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 96.84 -172.51 28.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.853 -0.899 . . . . 0.36 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.588 ' O ' ' SD ' ' A' ' 14' ' ' MET . 26.1 mtm180 -46.54 -12.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.31 110.572 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' A' ' 9' ' ' GLY . 7.7 mt-10 -58.2 -50.24 74.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 1.03 110.555 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.482 HD13 HG22 ' A' ' 12' ' ' ILE . 11.6 tt -90.52 -26.13 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 1.11 110.491 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.27 -15.23 58.58 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.19 110.995 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.588 ' SD ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -118.28 -40.05 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.53 110.708 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.529 ' C ' ' O ' ' A' ' 14' ' ' MET . 23.6 t-105 -28.27 -58.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.8 110.656 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.703 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -173.31 48.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.85 110.529 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.557 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -25.14 120.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 1.19 110.815 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -71.06 -7.02 43.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 1.56 110.616 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.51 -127.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 1.25 110.488 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.984 -1.008 . . . . 1.77 110.564 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.075 0 O4'-C4'-C3' 107.215 1.615 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.174 1.574 . . . . 0.65 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.783 0 O4'-C4'-C3' 107.335 1.735 . . . . 0.46 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 C4'-C3'-C2' 104.865 1.665 . . . . 0.53 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.905 0 O4'-C4'-C3' 107.21 1.61 . . . . 0.56 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.612 ' C6 ' ' OP2' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.079 0 O4'-C4'-C3' 107.095 1.495 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C4'-C3' 107.458 1.858 . . . . 0.44 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.104 0 C4'-C3'-C2' 104.998 1.798 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.271 1.671 . . . . 0.52 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.82 0 O4'-C4'-C3' 107.263 1.663 . . . . 0.6 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 O4'-C4'-C3' 107.449 1.849 . . . . 0.51 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.111 0 C4'-C3'-C2' 105.132 1.932 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . 0.625 " H4'" ' OP1' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O4'-C4'-C3' 107.456 1.856 . . . . 0.39 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.826 " H3'" ' OP1' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.178 0 O4'-C4'-C3' 107.141 1.541 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.883 0 C4'-C3'-C2' 105.119 1.919 . . . . 0.63 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.456 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.77 0 O4'-C4'-C3' 107.33 1.73 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C4'-C3' 107.247 1.647 . . . . 0.41 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.02 0 O4'-C4'-C3' 107.2 1.6 . . . . 0.78 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.412 -0.588 . . . . 1.64 109.412 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.01 110.98 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.84 110.508 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.667 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -105.76 149.68 38.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.37 110.553 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -39.59 -73.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.833 2.356 . . . . 0.39 112.2 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.05 -45.75 3.54 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.192 -0.763 . . . . 0.52 111.192 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -92.86 11.6 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.662 0.268 . . . . 0.93 110.9 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mp -91.94 163.73 13.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.37 110.443 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 8.1 tmtt? -152.45 120.41 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 1.17 110.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.06 -172.13 14.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.916 -0.874 . . . . 0.4 110.916 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 14' ' ' MET . 4.8 mtt180 -58.02 -12.23 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.66 110.494 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.632 ' O ' ' N ' ' A' ' 15' ' ' TRP . 77.8 mt-10 -51.76 -60.01 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 1.34 110.582 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.45 110.616 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.433 ' HA3' ' C6 ' ' B' ' 7' ' ' ' DG' . . . -78.55 -23.85 64.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.36 111.05 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 24.1 mmt -110.71 -14.26 14.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.5 110.685 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.632 ' N ' ' O ' ' A' ' 11' ' ' GLU . 77.2 t-105 -47.45 -49.63 24.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.47 110.485 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.58 ' O ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -176.01 9.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.73 110.594 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.58 ' O ' ' O ' ' A' ' 16' ' ' TYR . . . 23.69 101.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.5 110.896 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' GLN . 11.1 tttt -74.63 -25.02 58.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 1.29 110.519 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' OE1' ' A' ' 20' ' ' GLN . 38.6 mttt 56.03 -84.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 1.54 110.537 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' LYS . 5.1 mm100 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.983 -1.008 . . . . 1.95 110.534 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.433 " H4'" ' OP1' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.046 0 C4'-C3'-C2' 104.97 1.77 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.433 ' OP1' " H4'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.048 0 C4'-C3'-C2' 104.913 1.713 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.8 " H4'" ' OP1' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 C4'-C3'-C2' 105.222 2.022 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.8 ' OP1' " H4'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.424 -2.001 0 C1'-O4'-C4' 106.926 -1.982 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.799 " H1'" ' OP2' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.903 0 C4'-C3'-C2' 105.219 2.019 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.799 ' OP2' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.919 0 P-O3'-C3' 121.448 1.456 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.466 ' C2 ' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.028 0 O4'-C4'-C3' 107.337 1.737 . . . . 0.78 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.466 ' N7 ' ' C2 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.053 0 O4'-C4'-C3' 107.249 1.649 . . . . 0.45 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.653 ' N2 ' ' C8 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C4'-C3' 107.108 1.508 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.848 " H3'" ' OP1' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C4'-C3' 107.234 1.634 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.584 ' OP2' " H4'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.006 0 C4'-C3'-C2' 105.073 1.873 . . . . 0.47 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.653 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.023 0 O4'-C4'-C3' 107.285 1.685 . . . . 0.43 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.26 1.66 . . . . 0.39 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.732 " H1'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.001 0 O4'-C4'-C3' 107.325 1.725 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.732 ' OP2' " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.92 0 C4'-C3'-C2' 105.17 1.97 . . . . 0.34 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.698 ' N2 ' ' C8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.706 0 O4'-C4'-C3' 107.289 1.689 . . . . 0.45 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.218 1.618 . . . . 0.39 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 0 O4'-C4'-C3' 107.068 1.468 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.388 -0.597 . . . . 1.29 109.388 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -116.58 46.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 1.91 110.586 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' MET . 0.1 OUTLIER 38.5 88.99 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 1.13 110.615 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.508 ' O ' ' CE1' ' A' ' 6' ' ' HIS . 50.1 Cg_exo -48.74 -69.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.804 2.336 . . . . 0.61 112.18 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.87 -34.13 1.04 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.97 -0.852 . . . . 0.52 110.97 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.508 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -90.68 -5.32 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.85 110.518 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 7' ' ' LEU . 5.5 mp -81.14 149.93 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.63 110.558 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.56 39.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 1.23 110.605 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 102.7 177.94 26.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 0.27 110.932 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' MET . 6.3 mtt180 -38.96 -17.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.8 110.516 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' A' ' 9' ' ' GLY . 2.6 mm-40 -49.64 -67.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.01 110.644 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 tt -68.51 -26.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.84 110.662 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.31 -20.78 78.65 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.067 -0.813 . . . . 0.24 111.067 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' ARG . 16.2 mmt -118.36 -20.27 8.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 0.66 110.753 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.559 ' N ' ' O ' ' A' ' 11' ' ' GLU . 74.8 t-105 -43.88 -42.05 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.396 -0.366 . . . . 0.8 110.524 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.693 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -178.46 46.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.94 110.699 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.55 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -27.73 85.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.48 110.565 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.678 ' N ' ' O ' ' A' ' 16' ' ' TYR . 20.3 ttpt -115.96 -27.01 7.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.503 . . . . 1.3 110.51 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HZ1' H5'' ' B' ' 10' ' ' ' DT' . 11.8 tptt 43.47 -94.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.88 110.509 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' LYS . 11.3 tp60 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.979 -1.01 . . . . 1.46 110.593 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C4'-C3' 107.229 1.629 . . . . 1.21 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.627 " H1'" ' OP1' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.055 0 C4'-C3'-C2' 104.915 1.715 . . . . 1.39 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.736 " H4'" ' OP1' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.804 0 C4'-C3'-C2' 105.211 2.011 . . . . 0.62 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.736 ' OP1' " H4'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.958 0 C4'-C3'-C2' 105.084 1.884 . . . . 0.36 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.062 0 O4'-C4'-C3' 107.263 1.663 . . . . 0.62 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.173 1.573 . . . . 1.89 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.502 ' N3 ' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.998 0 O4'-C4'-C3' 107.167 1.567 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.502 ' C8 ' ' N3 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.01 0 C4'-C3'-C2' 105.284 2.084 . . . . 0.39 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.72 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.251 1.651 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.72 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.888 0 C4'-C3'-C2' 104.847 1.647 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.216 0 C4'-C3'-C2' 105.056 1.856 . . . . 0.34 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.956 0 C4'-C3'-C2' 105.103 1.903 . . . . 0.36 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . 0.904 " H1'" ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.793 0 C4'-C3'-C2' 104.959 1.759 . . . . 0.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.904 ' OP2' " H1'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.933 0 C1'-O4'-C4' 107.423 -1.626 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.505 ' C2 ' ' N ' ' A' ' 9' ' ' GLY . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C4'-C3' 107.445 1.845 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.702 ' N2 ' ' C8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.427 -1.749 0 C4'-C3'-C2' 105.004 1.804 . . . . 0.36 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' DG' . . . . . 0.822 " H1'" ' OP1' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -1.997 0 C4'-C3'-C2' 105.07 1.87 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' DT' . . . . . 0.822 ' OP1' " H1'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.162 0 O4'-C4'-C3' 107.288 1.688 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.995 -0.842 . . . . 0.34999999999999998 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -5.37 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.35999999999999999 110.588 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.99 149.31 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.617 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.516 ' CD ' ' C ' ' A' ' 8' ' ' LYS . 1.2 tptp -132.43 120.69 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.67000000000000004 110.43 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.642 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 98.45 -175.28 29.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.45000000000000001 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -41.71 -13.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.01 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.642 ' N ' ' O ' ' A' ' 9' ' ' GLY . 61.4 mt-10 -53.24 -47.93 68.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.84999999999999998 110.602 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 tt -83.66 -31.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.28000000000000003 110.674 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.02 -28.51 73.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.116 -0.794 . . . . 0.5 111.116 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 mmt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.45000000000000001 110.69 -179.862 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 111.0 -0.84 . . . . 0.40999999999999998 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 3.96 53.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.81999999999999995 110.6 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mp -84.8 169.14 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.46000000000000002 110.546 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.34 128.79 19.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.51000000000000001 110.634 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 96.65 171.3 34.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.069 -0.812 . . . . 0.34999999999999998 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 9' ' ' GLY . 17.7 mtm105 -33.75 -25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.77000000000000002 110.618 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 9' ' ' GLY . 3.2 mm-40 -41.35 -51.05 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 1.27 110.744 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.9 tt -85.62 -26.9 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.45000000000000001 110.676 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.4 -10.09 78.52 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.016 -0.834 . . . . 0.27000000000000002 111.016 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.5 mmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.711 0.291 . . . . 0.40999999999999998 110.791 -179.826 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.969 -0.852 . . . . 0.33000000000000002 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.6 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -105.57 12.82 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.46999999999999997 110.444 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -89.65 173.48 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.44 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.32 130.5 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 1.02 110.605 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.58 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 92.75 -172.66 34.34 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.996 -0.842 . . . . 0.58999999999999997 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 19.4 mtt85 -46.93 -9.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.327 . . . . 1.27 110.591 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.58 ' H ' ' C ' ' A' ' 9' ' ' GLY . 22.5 mt-10 -60.46 -44.88 95.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 1.3899999999999999 110.654 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 tt -86.16 -26.22 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.29999999999999999 110.561 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.472 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -77.57 -18.36 77.74 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.159 -0.776 . . . . 0.28000000000000003 111.159 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.87 110.722 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 110.85 -0.9 . . . . 0.40999999999999998 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.56 ' C ' HD13 ' A' ' 7' ' ' LEU . 8.7 m80 -108.92 -10.04 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.299 . . . . 0.64000000000000001 110.623 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.019 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.9 158.88 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.41999999999999998 110.544 179.598 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 162.02 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.0700000000000001 110.638 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 94.23 -163.67 25.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.895 -0.882 . . . . 0.75 110.895 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -53.28 -9.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.57999999999999996 110.596 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 9' ' ' GLY . 5.4 tt0 -62.33 -56.68 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.57999999999999996 110.753 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 tt -77.0 -31.89 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.37 110.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.15 -16.52 53.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.082 -0.807 . . . . 0.34000000000000002 111.082 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.5 mmt . . . . . 0 C--N 1.33 -0.278 0 C-N-CA 120.945 -0.302 . . . . 0.60999999999999999 110.924 -179.796 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.918 -0.873 . . . . 0.46000000000000002 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.679 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.53 11.85 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.59999999999999998 110.571 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.8 mp -90.13 169.1 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.35999999999999999 110.539 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -149.29 125.5 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.39000000000000001 110.595 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.669 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 100.3 175.36 30.13 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.979 -0.848 . . . . 0.31 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.481 ' O ' ' SD ' ' A' ' 14' ' ' MET . 55.4 mtm180 -37.75 -19.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.89000000000000001 110.532 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.669 ' N ' ' O ' ' A' ' 9' ' ' GLY . 7.5 mt-10 -49.61 -44.18 47.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.05 110.715 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.1 tt -86.44 -32.04 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.28000000000000003 110.708 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.59 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -75.71 -9.49 84.88 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.087 -0.805 . . . . 0.27000000000000002 111.087 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.715 0.293 . . . . 0.44 110.765 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.732 -0.947 . . . . 0.46000000000000002 110.732 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 2.8 p-80 -95.2 5.15 52.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.58999999999999997 110.373 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 6' ' ' HIS . 4.7 mp -78.8 155.0 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.65000000000000002 110.485 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' CD ' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -132.17 120.7 22.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.0700000000000001 110.616 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.671 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 105.0 174.97 24.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.972 -0.851 . . . . 0.33000000000000002 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLY . 29.2 mtm180 -36.98 -20.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 1.1799999999999999 110.481 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.671 ' N ' ' O ' ' A' ' 9' ' ' GLY . 22.7 mt-10 -45.85 -48.86 15.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 1.55 110.741 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 tt -84.8 -26.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.31 110.808 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 -18.15 80.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.175 -0.77 . . . . 0.28999999999999998 111.175 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.682 0.277 . . . . 0.45000000000000001 110.806 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.807 -0.917 . . . . 0.37 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.633 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.26 -1.62 41.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.46999999999999997 110.527 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 7' ' ' LEU . 9.5 mp -85.19 160.16 19.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.41999999999999998 110.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.95 125.21 11.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 1.3999999999999999 110.538 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.12 -156.03 15.96 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.783 -0.927 . . . . 0.55000000000000004 110.783 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -63.52 -21.9 66.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.809 0.338 . . . . 1.47 110.52 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.04 -48.07 22.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.94999999999999996 110.51 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.8 tt -90.46 -26.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.27000000000000002 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.45 -7.3 57.54 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.894 -0.882 . . . . 0.37 110.894 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.66000000000000003 110.702 -179.884 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.813 -0.915 . . . . 0.26000000000000001 110.813 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.583 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -97.76 -4.28 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.42999999999999999 110.573 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.4 mp -83.93 167.77 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.46000000000000002 110.584 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 133.71 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 1.0800000000000001 110.608 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 96.84 -172.51 28.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.853 -0.899 . . . . 0.35999999999999999 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.588 ' O ' ' SD ' ' A' ' 14' ' ' MET . 26.1 mtm180 -46.54 -12.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.1100000000000001 110.572 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 9' ' ' GLY . 7.7 mt-10 -58.2 -50.24 74.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 1.03 110.555 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 tt -90.52 -26.13 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.28999999999999998 110.491 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.27 -15.23 58.58 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.14999999999999999 110.995 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.588 ' SD ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.35999999999999999 110.708 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 111.192 -0.763 . . . . 0.45000000000000001 111.192 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -92.86 11.6 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.662 0.268 . . . . 0.79000000000000004 110.9 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mp -91.94 163.73 13.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.37 110.443 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' CD ' ' C ' ' A' ' 8' ' ' LYS . 8.1 tmtt? -152.45 120.41 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.44 110.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' N ' ' HD3' ' A' ' 8' ' ' LYS . . . 117.06 -172.13 14.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.916 -0.874 . . . . 0.40000000000000002 110.916 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 14' ' ' MET . 4.8 mtt180 -58.02 -12.23 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.52000000000000002 110.494 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -51.76 -60.01 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 1.3400000000000001 110.582 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.27000000000000002 110.616 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.55 -23.85 64.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.35999999999999999 111.05 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 24.1 mmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.39000000000000001 110.685 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.97 -0.852 . . . . 0.52000000000000002 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.68 -5.32 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.67000000000000004 110.518 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mp -81.14 149.93 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.63 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.56 39.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.44 110.605 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 102.7 177.94 26.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 0.20000000000000001 110.932 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' MET . 6.3 mtt180 -38.96 -17.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.68000000000000005 110.516 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' A' ' 9' ' ' GLY . 2.6 mm-40 -49.64 -67.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.01 110.644 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 tt -68.51 -26.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.44 110.662 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.31 -20.78 78.65 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.067 -0.813 . . . . 0.20999999999999999 111.067 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' ARG . 16.2 mmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 0.45000000000000001 110.753 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.5 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.1 tpt -136.88 -31.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.81000000000000005 110.594 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.59 154.14 41.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.77000000000000002 110.495 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' CE1' ' A' ' 6' ' ' HIS . 19.2 Cg_endo -61.23 -72.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.75 2.3 . . . . 0.34999999999999998 112.056 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.71 -35.51 1.62 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.995 -0.842 . . . . 0.34999999999999998 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.451 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -80.02 -5.37 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.35999999999999999 110.588 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.99 149.31 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.617 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 1.2 tptp -132.43 120.69 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.67000000000000004 110.43 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.642 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 98.45 -175.28 29.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.45000000000000001 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -41.71 -13.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.01 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.642 ' N ' ' O ' ' A' ' 9' ' ' GLY . 61.4 mt-10 -53.24 -47.93 68.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.84999999999999998 110.602 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 tt -83.66 -31.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.28000000000000003 110.674 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.714 ' O ' ' HB2' ' A' ' 17' ' ' ALA . . . -67.02 -28.51 73.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.116 -0.794 . . . . 0.5 111.116 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 mmt -101.4 3.84 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.45000000000000001 110.69 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -88.45 -38.27 15.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.31 110.539 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.689 ' CE2' ' O ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -173.03 45.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.44 110.75 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . -45.09 -16.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 0.31 110.347 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -66.86 15.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.566 . . . . 0.77000000000000002 110.572 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.689 ' O ' ' CE2' ' A' ' 16' ' ' TYR . 18.7 mtmt 62.75 -106.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.52000000000000002 110.425 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.575 ' CG ' ' OP1' ' B' ' 11' ' ' ' DG' . 3.0 pt20 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.978 -1.011 . . . . 0.76000000000000001 110.648 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.079 0 O4'-C4'-C3' 107.233 1.633 . . . . 0.73999999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.854 0 C4'-C3'-C2' 104.852 1.652 . . . . 1.28 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.402 " O4'" ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.9 0 C4'-C3'-C2' 104.957 1.757 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 C4'-C3'-C2' 105.066 1.866 . . . . 0.48999999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.891 " H4'" " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.901 0 O4'-C4'-C3' 107.227 1.627 . . . . 0.37 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.891 " O5'" " H4'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.035 0 C4'-C3'-C2' 104.777 1.577 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.633 ' OP1' H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.003 0 C4'-C3'-C2' 105.13 1.93 . . . . 0.33000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.456 ' C8 ' ' N2 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 C4'-C3'-C2' 104.93 1.73 . . . . 0.39000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.946 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.809 0 O4'-C4'-C3' 107.078 1.478 . . . . 0.52000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.946 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.776 0 O4'-C4'-C3' 107.216 1.616 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.575 ' OP1' ' CG ' ' A' ' 20' ' ' GLN . . . . . . . . 0 C5'--C4' 1.526 1.846 0 C4'-C3'-C2' 105.104 1.904 . . . . 0.46999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.421 ' H21' " H2'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.052 0 C4'-C3'-C2' 104.89 1.69 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . 0.474 ' N2 ' ' C8 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 107.207 1.607 . . . . 0.39000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.72 " H1'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C4'-C3' 107.433 1.833 . . . . 0.76000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.72 ' OP2' " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.921 0 C3'-C2'-C1' 100.701 -1.428 . . . . 0.48999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.606 ' C8 ' ' OP2' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.325 0 C4'-C3'-C2' 104.852 1.652 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.856 0 O4'-C4'-C3' 107.213 1.613 . . . . 0.39000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.005 0 O4'-C4'-C3' 107.212 1.612 . . . . 0.88 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.296 -0.631 . . . . 1.28 109.296 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.71 165.76 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.80000000000000004 110.509 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 47.82 73.69 0.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.91000000000000003 110.607 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.653 ' O ' ' CE1' ' A' ' 6' ' ' HIS . 67.6 Cg_exo -45.75 -72.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.857 2.371 . . . . 0.41999999999999998 112.195 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.27 -32.57 0.67 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.0 -0.84 . . . . 0.40999999999999998 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.653 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -95.75 3.96 53.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.81999999999999995 110.6 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.608 HD13 ' HB3' ' A' ' 4' ' ' PRO . 4.9 mp -84.8 169.14 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.46000000000000002 110.546 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' HG2' ' N3 ' ' B' ' 15' ' ' ' DG' . 0.0 OUTLIER -143.34 128.79 19.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.51000000000000001 110.634 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 96.65 171.3 34.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.069 -0.812 . . . . 0.34999999999999998 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 9' ' ' GLY . 17.7 mtm105 -33.75 -25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.77000000000000002 110.618 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 9' ' ' GLY . 3.2 mm-40 -41.35 -51.05 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 1.27 110.744 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.9 tt -85.62 -26.9 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.45000000000000001 110.676 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' HA3' ' C6 ' ' B' ' 7' ' ' ' DG' . . . -73.4 -10.09 78.52 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.016 -0.834 . . . . 0.27000000000000002 111.016 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.541 ' O ' ' C ' ' A' ' 15' ' ' TRP . 27.5 mmt -110.16 -51.12 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.711 0.291 . . . . 0.40999999999999998 110.791 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.541 ' C ' ' O ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -28.37 -58.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 1.1599999999999999 110.643 -179.754 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 17' ' ' ALA . 6.0 p90 -154.11 -25.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.366 . . . . 0.46999999999999997 110.656 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.645 ' HB1' ' N2 ' ' B' ' 7' ' ' ' DG' . . . 54.24 176.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.27000000000000002 110.706 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.721 ' NZ ' ' H21' ' B' ' 8' ' ' ' DG' . 1.2 tttp -66.64 -13.59 61.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.60999999999999999 110.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.58 ' O ' ' OXT' ' A' ' 20' ' ' GLN . 23.8 ttmt -45.51 -40.36 8.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.177 -0.465 . . . . 1.1299999999999999 110.265 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.58 ' OXT' ' O ' ' A' ' 19' ' ' LYS . 17.5 tp60 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.987 -1.006 . . . . 0.65000000000000002 110.607 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.132 0 O4'-C4'-C3' 107.23 1.63 . . . . 0.81999999999999995 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.415 " O4'" ' OP1' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.871 0 C4'-C3'-C2' 104.762 1.562 . . . . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.532 ' C8 ' ' N2 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.803 0 O4'-C4'-C3' 107.421 1.821 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.861 0 C4'-C3'-C2' 105.013 1.813 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.785 " H4'" " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.015 0 O4'-C4'-C3' 107.286 1.686 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.785 " O5'" " H4'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 C4'-C3'-C2' 104.909 1.709 . . . . 0.76000000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.717 ' H21' ' H ' ' A' ' 18' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C4'-C3' 107.425 1.825 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.721 ' H21' ' NZ ' ' A' ' 18' ' ' LYS . . . . . . . . 0 C5'--C4' 1.528 2.07 0 C4'-C3'-C2' 105.092 1.892 . . . . 0.48999999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.416 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.842 0 O4'-C4'-C3' 107.403 1.803 . . . . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.416 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.057 0 O4'-C4'-C3' 107.217 1.617 . . . . 0.46999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.458 " H2'" ' HZ2' ' A' ' 18' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.023 0 C4'-C3'-C2' 105.052 1.852 . . . . 0.64000000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.073 0 C4'-C3'-C2' 105.197 1.997 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . 0.724 " H1'" ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.683 0 C4'-C3'-C2' 104.884 1.684 . . . . 0.37 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.724 ' OP2' " H1'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.941 0 C4'-C3'-C2' 104.898 1.698 . . . . 0.93000000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.43 ' N3 ' ' HG2' ' A' ' 8' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.857 0 O4'-C4'-C3' 107.491 1.891 . . . . 0.34000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.104 ' N3 ' ' H71' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.817 0 O4'-C4'-C3' 107.243 1.643 . . . . 0.46999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.882 " H1'" ' OP2' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.913 0 C4'-C3'-C2' 105.157 1.957 . . . . 0.37 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . 1.104 ' H71' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 P--O5' 1.61 1.728 0 C3'-C2'-C1' 100.544 -1.54 . . . . 0.46000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.427 -0.583 . . . . 0.87 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.475 ' O ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -92.69 -39.73 11.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.90000000000000002 110.529 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -75.17 169.25 21.25 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.90000000000000002 110.511 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 3' ' ' HIS . 67.9 Cg_exo -46.19 179.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.858 2.372 . . . . 0.39000000000000001 112.157 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.8 -48.03 1.07 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.969 -0.852 . . . . 0.33000000000000002 110.969 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.6 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -105.57 12.82 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.46999999999999997 110.444 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -89.65 173.48 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.44 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HG2' ' N3 ' ' B' ' 15' ' ' ' DG' . 0.5 OUTLIER -159.32 130.5 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 1.02 110.605 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.58 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 92.75 -172.66 34.34 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.996 -0.842 . . . . 0.58999999999999997 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 19.4 mtt85 -46.93 -9.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.327 . . . . 1.27 110.591 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.58 ' H ' ' C ' ' A' ' 9' ' ' GLY . 22.5 mt-10 -60.46 -44.88 95.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 1.3899999999999999 110.654 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 tt -86.16 -26.22 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.29999999999999999 110.561 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.472 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -77.57 -18.36 77.74 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.159 -0.776 . . . . 0.28000000000000003 111.159 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -117.04 12.01 14.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.87 110.722 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -83.03 -54.51 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.89000000000000001 110.539 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.715 ' CG ' ' O ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -177.89 53.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.55000000000000004 110.555 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.57 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -22.74 96.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.964 -0.562 . . . . 0.41999999999999998 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' TYR . 2.6 ttpp -66.85 -19.07 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.01 110.609 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mttp 52.14 -106.52 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.59999999999999998 110.645 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.426 ' H ' ' HG3' ' A' ' 20' ' ' GLN . 3.1 pp0? . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.965 -1.017 . . . . 1.6899999999999999 110.641 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.643 " H4'" ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.031 0 O4'-C4'-C3' 107.246 1.646 . . . . 0.62 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.643 ' OP2' " H4'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C4'-C3' 107.211 1.611 . . . . 0.75 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.671 ' OP1' " H4'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.878 0 C4'-C3'-C2' 105.065 1.865 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.972 0 C4'-C3'-C2' 104.905 1.705 . . . . 0.45000000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.781 0 O4'-C4'-C3' 107.234 1.634 . . . . 0.69999999999999996 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.654 " H1'" ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.977 0 C4'-C3'-C2' 104.806 1.606 . . . . 0.48999999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.654 ' OP2' " H1'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.377 1.777 . . . . 0.40000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.052 0 C1'-O4'-C4' 107.048 -1.895 . . . . 0.41999999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.455 ' N2 ' ' C8 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.899 0 O4'-C4'-C3' 107.14 1.54 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.944 0 O4'-C4'-C3' 106.854 1.254 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.538 " H4'" ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.493 1.893 . . . . 0.45000000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.455 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.014 0 C4'-C3'-C2' 104.975 1.775 . . . . 0.28999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . 0.549 ' N2 ' ' C8 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.833 0 O4'-C4'-C3' 107.19 1.59 . . . . 0.40000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.798 " H1'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.933 0 O4'-C1'-C2' 108.2 1.909 . . . . 1.0600000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.798 ' OP2' " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.084 0 C4'-C3'-C2' 105.167 1.967 . . . . 0.52000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.549 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.349 1.749 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C4'-C3' 107.266 1.666 . . . . 0.56000000000000005 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.051 0 O4'-C4'-C3' 107.134 1.534 . . . . 1.1100000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.435 -0.58 . . . . 0.77000000000000002 109.435 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.2 tpp -176.91 2.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 1.47 110.656 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.693 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 5.0 m170 -106.18 147.69 35.29 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.78000000000000003 110.428 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.525 ' O ' ' O ' ' A' ' 3' ' ' HIS . 88.5 Cg_exo -32.74 161.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.207 2.605 . . . . 0.46000000000000002 112.581 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.95 -15.06 1.9 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.85 -0.9 . . . . 0.40999999999999998 110.85 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.693 ' ND1' ' O ' ' A' ' 3' ' ' HIS . 8.7 m80 -108.92 -10.04 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.299 . . . . 0.64000000000000001 110.623 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.019 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.9 158.88 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.41999999999999998 110.544 179.598 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 162.02 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.0700000000000001 110.638 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 94.23 -163.67 25.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.895 -0.882 . . . . 0.75 110.895 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.476 HH22 " H5'" ' B' ' 4' ' ' ' DG' . 15.9 mtt-85 -53.28 -9.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.57999999999999996 110.596 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 9' ' ' GLY . 5.4 tt0 -62.33 -56.68 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.57999999999999996 110.753 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 tt -77.0 -31.89 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.37 110.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.72 ' O ' ' HB2' ' A' ' 17' ' ' ALA . . . -62.15 -16.52 53.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.082 -0.807 . . . . 0.34000000000000002 111.082 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.5 mmt -118.73 -20.0 8.44 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.945 -0.302 . . . . 0.60999999999999999 110.924 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -95.02 -31.2 13.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.492 -0.322 . . . . 0.59999999999999998 111.047 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -125.85 29.7 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.853 -0.339 . . . . 0.92000000000000004 111.158 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . -72.45 66.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.032 0.444 . . . . 0.27000000000000002 110.095 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -7.57 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.41999999999999998 110.512 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mttt 54.66 -95.21 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.82999999999999996 110.548 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.971 -1.014 . . . . 0.88 110.539 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.862 " H4'" ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.119 0 O4'-C4'-C3' 107.259 1.659 . . . . 1.1200000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.862 ' OP2' " H4'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.804 0 O4'-C4'-C3' 107.173 1.573 . . . . 1.0600000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.748 ' OP1' " H1'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.754 0 O4'-C4'-C3' 107.337 1.737 . . . . 0.40000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.476 " H5'" HH22 ' A' ' 10' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.842 0 C4'-C3'-C2' 105.071 1.871 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.671 " H1'" ' OP2' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.822 0 C4'-C3'-C2' 105.116 1.916 . . . . 0.39000000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.671 ' OP2' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.079 0 O4'-C4'-C3' 107.177 1.577 . . . . 0.97999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.506 ' N3 ' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.815 0 O4'-C4'-C3' 107.408 1.808 . . . . 0.32000000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.506 ' C8 ' ' N3 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.105 0 C4'-C3'-C2' 105.195 1.995 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.547 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.833 0 O4'-C4'-C3' 107.36 1.76 . . . . 0.51000000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.547 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.892 0 C4'-C3'-C2' 105.082 1.882 . . . . 0.85999999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.79 0 C4'-C3'-C2' 105.008 1.808 . . . . 0.85999999999999999 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.871 0 C4'-C3'-C2' 105.109 1.909 . . . . 0.54000000000000004 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . 0.887 " H1'" ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.77 0 C4'-C3'-C2' 105.028 1.828 . . . . 0.80000000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.887 ' OP2' " H1'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C4'-C3' 106.857 1.257 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.488 " O5'" " H4'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.16 0 C4'-C3'-C2' 105.2 2.0 . . . . 0.48999999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.509 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.944 0 O4'-C4'-C3' 107.387 1.787 . . . . 0.33000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.919 0 C4'-C3'-C2' 105.023 1.823 . . . . 0.28999999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.981 0 O4'-C4'-C3' 107.228 1.628 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.389 -0.597 . . . . 0.78000000000000003 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.8 mtm -153.64 -0.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.66000000000000003 110.492 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.505 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -66.92 -50.84 41.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.81000000000000005 110.558 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 3' ' ' HIS . 58.9 Cg_exo -47.24 163.99 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.845 2.363 . . . . 0.42999999999999999 112.096 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.78 -53.42 0.58 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.918 -0.873 . . . . 0.46000000000000002 110.918 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.679 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.53 11.85 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.59999999999999998 110.571 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.8 mp -90.13 169.1 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.35999999999999999 110.539 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -149.29 125.5 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.39000000000000001 110.595 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.669 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 100.3 175.36 30.13 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.979 -0.848 . . . . 0.31 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.481 ' O ' ' SD ' ' A' ' 14' ' ' MET . 55.4 mtm180 -37.75 -19.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.89000000000000001 110.532 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.669 ' N ' ' O ' ' A' ' 9' ' ' GLY . 7.5 mt-10 -49.61 -44.18 47.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.05 110.715 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.1 tt -86.44 -32.04 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.28000000000000003 110.708 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.59 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -75.71 -9.49 84.88 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.087 -0.805 . . . . 0.27000000000000002 111.087 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -118.06 -33.3 4.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.715 0.293 . . . . 0.44 110.765 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -33.97 -57.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.383 -0.371 . . . . 0.72999999999999998 110.485 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.611 ' CG ' ' O ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -170.7 36.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.45000000000000001 110.465 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -31.85 94.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.46000000000000002 110.535 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 16' ' ' TYR . 6.5 pttt -75.79 2.22 12.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.94999999999999996 110.579 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 10.3 ptpt 34.84 46.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.70999999999999996 110.533 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.51 ' OXT' " C5'" ' B' ' 11' ' ' ' DG' . 1.1 tm0? . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.982 -1.009 . . . . 1.03 110.556 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.136 0 O4'-C4'-C3' 107.232 1.632 . . . . 1.6200000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.82 0 O4'-C4'-C3' 106.925 1.325 . . . . 0.83999999999999997 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.449 ' C2 ' ' HG2' ' A' ' 10' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.904 0 C4'-C3'-C2' 105.044 1.844 . . . . 0.28000000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.873 0 C4'-C3'-C2' 104.894 1.694 . . . . 0.31 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.78 " H1'" ' OP2' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.028 0 C4'-C3'-C2' 105.274 2.074 . . . . 0.46999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.78 ' OP2' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.088 0 O4'-C4'-C3' 107.232 1.632 . . . . 1.1399999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.677 " H4'" ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.018 0 O4'-C1'-C2' 107.843 1.584 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.636 ' N2 ' ' C4 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.096 0 C4'-C3'-C2' 105.016 1.816 . . . . 0.40000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.66 " H1'" ' OP2' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.818 0 C4'-C3'-C2' 104.798 1.598 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.66 ' OP2' " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C4'-C3' 107.184 1.584 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.554 ' OP2' " H4'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.002 0 C4'-C3'-C2' 105.095 1.895 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.622 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.918 0 C4'-C3'-C2' 104.998 1.798 . . . . 0.42999999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . 0.572 ' N2 ' ' C8 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.76 0 O4'-C4'-C3' 107.415 1.815 . . . . 0.35999999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.488 " H4'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 C4'-C3'-C2' 104.877 1.677 . . . . 0.91000000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.488 ' OP2' " H4'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.88 0 O4'-C4'-C3' 107.545 1.945 . . . . 0.48999999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.572 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.766 0 O4'-C4'-C3' 107.372 1.772 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 O4'-C4'-C3' 107.208 1.608 . . . . 0.29999999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.144 1.544 . . . . 0.83999999999999997 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.36 -0.608 . . . . 1.05 109.36 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.08 98.45 4.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.93999999999999995 110.661 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -112.49 153.03 45.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.98999999999999999 110.477 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 3' ' ' HIS . 83.7 Cg_exo -40.0 177.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.851 2.367 . . . . 0.28999999999999998 112.238 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.82 -48.82 0.9 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.732 -0.947 . . . . 0.46000000000000002 110.732 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 2.8 p-80 -95.2 5.15 52.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.58999999999999997 110.373 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 6' ' ' HIS . 4.7 mp -78.8 155.0 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.65000000000000002 110.485 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -132.17 120.7 22.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.0700000000000001 110.616 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.671 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 105.0 174.97 24.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.972 -0.851 . . . . 0.33000000000000002 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HG2' ' C4 ' ' B' ' 3' ' ' ' DG' . 29.2 mtm180 -36.98 -20.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 1.1799999999999999 110.481 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.671 ' N ' ' O ' ' A' ' 9' ' ' GLY . 22.7 mt-10 -45.85 -48.86 15.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 1.55 110.741 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 tt -84.8 -26.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.31 110.808 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 -18.15 80.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.175 -0.77 . . . . 0.28999999999999998 111.175 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.539 ' O ' ' C ' ' A' ' 15' ' ' TRP . 25.4 mmt -105.47 -61.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.682 0.277 . . . . 0.45000000000000001 110.806 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.539 ' C ' ' O ' ' A' ' 14' ' ' MET . 3.1 t-105 -28.32 -47.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.63 110.674 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.685 ' CD1' ' O ' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -174.46 143.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.51000000000000001 110.582 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.65 103.05 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.35999999999999999 110.439 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -66.77 -34.04 76.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.40999999999999998 110.575 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.2 ptpt 22.96 61.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 0.55000000000000004 110.842 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.968 -1.015 . . . . 1.1599999999999999 110.508 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.653 " H4'" ' OP1' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.019 0 O4'-C4'-C3' 107.24 1.64 . . . . 1.1799999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.747 " H4'" ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O4'-C4'-C3' 107.205 1.605 . . . . 0.93999999999999995 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.747 ' OP2' " H4'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.909 0 C4'-C3'-C2' 104.947 1.747 . . . . 0.41999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.899 0 O4'-C4'-C3' 107.169 1.569 . . . . 0.67000000000000004 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.27 1.67 . . . . 0.52000000000000002 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C4'-C3' 107.22 1.62 . . . . 1.0800000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.564 " H4'" ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.834 0 O4'-C1'-C2' 107.826 1.569 . . . . 0.41999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.4 ' N2 ' ' C4 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.421 -2.313 0 C1'-O4'-C4' 107.15 -1.822 . . . . 0.34000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.508 ' N2 ' ' C8 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.272 1.672 . . . . 0.55000000000000004 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.412 H2'' ' OP1' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C4'-C3' 107.259 1.659 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.412 ' OP1' H2'' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.779 0 O4'-C4'-C3' 107.431 1.831 . . . . 0.28999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.508 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.054 0 C4'-C3'-C2' 104.99 1.79 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . 0.751 " H4'" " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C4'-C3' 107.214 1.614 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.751 " O5'" " H4'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 0 C4'-C3'-C2' 104.925 1.725 . . . . 1.6000000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.826 " H4'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.009 0 O4'-C4'-C3' 107.248 1.648 . . . . 0.60999999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.538 ' OP2' " H4'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 O4'-C4'-C3' 107.324 1.724 . . . . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.674 " H4'" ' OP1' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.853 0 O4'-C4'-C3' 107.202 1.602 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . 0.674 ' OP1' " H4'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 C1'-O4'-C4' 106.846 -2.038 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.516 ' O ' ' CB ' ' A' ' 2' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.326 -0.62 . . . . 1.3100000000000001 109.326 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER 159.62 -46.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.76000000000000001 110.439 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.472 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER 175.96 -52.93 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.56999999999999995 110.511 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 3' ' ' HIS . 77.5 Cg_exo -45.26 170.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.767 2.312 . . . . 0.46000000000000002 112.148 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.5 -49.02 1.49 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.807 -0.917 . . . . 0.37 110.807 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.633 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.26 -1.62 41.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.46999999999999997 110.527 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 7' ' ' LEU . 9.5 mp -85.19 160.16 19.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.41999999999999998 110.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' HB2' ' N3 ' ' B' ' 15' ' ' ' DG' . 0.0 OUTLIER -147.95 125.21 11.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 1.3999999999999999 110.538 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' N ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . 108.12 -156.03 15.96 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.783 -0.927 . . . . 0.55000000000000004 110.783 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -63.52 -21.9 66.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.809 0.338 . . . . 1.47 110.52 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.04 -48.07 22.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.94999999999999996 110.51 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.556 HD13 ' C2 ' ' B' ' 11' ' ' ' DG' . 15.8 tt -90.46 -26.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.27000000000000002 110.409 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.8 ' O ' ' HB2' ' A' ' 17' ' ' ALA . . . -69.45 -7.3 57.54 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.894 -0.882 . . . . 0.37 110.894 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.0 mmt -118.35 -21.43 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.66000000000000003 110.702 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -93.94 -41.35 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.5 110.756 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.21 24.26 13.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.57999999999999996 110.781 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.8 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . -80.86 11.53 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.45000000000000001 110.405 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -68.38 2.83 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.45000000000000001 110.55 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 17' ' ' ALA . 12.8 mttp 60.0 -116.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 1.03 110.57 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.97 -1.014 . . . . 1.3700000000000001 110.562 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.837 " H1'" ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.046 0 C4'-C3'-C2' 105.03 1.83 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.91 " H4'" ' OP1' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.934 0 O4'-C4'-C3' 107.213 1.613 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.743 " H3'" ' OP1' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.121 0 C4'-C3'-C2' 105.091 1.891 . . . . 0.48999999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.91 ' OP1' " H4'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.934 0 C4'-C3'-C2' 104.912 1.712 . . . . 0.27000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.872 " H4'" " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.148 1.548 . . . . 0.39000000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.872 " O5'" " H4'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.793 0 O4'-C4'-C3' 107.243 1.643 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.208 0 C4'-C3'-C2' 105.071 1.871 . . . . 0.68000000000000005 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.565 " H4'" ' OP1' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 C1'-O4'-C4' 107.015 -1.918 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.969 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.017 0 O4'-C4'-C3' 107.134 1.534 . . . . 0.34000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.969 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 C4'-C3'-C2' 104.911 1.711 . . . . 0.53000000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.556 ' C2 ' HD13 ' A' ' 12' ' ' ILE . . . . . . . . 0 C5'--C4' 1.526 1.836 0 C4'-C3'-C2' 104.963 1.763 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.525 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 0 C4'-C3'-C2' 104.963 1.763 . . . . 0.34999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . 0.632 " H4'" " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 107.14 1.54 . . . . 0.35999999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.632 " O5'" " H4'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.424 -1.963 0 C1'-O4'-C4' 107.13 -1.836 . . . . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.477 ' C8 ' ' N2 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.88 0 O4'-C4'-C3' 107.549 1.949 . . . . 0.26000000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.404 ' N2 ' ' C8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.425 -1.945 0 C4'-C3'-C2' 104.914 1.714 . . . . 0.31 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C4'-C3' 107.336 1.736 . . . . 0.54000000000000004 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.061 0 O4'-C4'-C3' 107.106 1.506 . . . . 0.81000000000000005 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.36 -0.607 . . . . 1.1499999999999999 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 35.5 mtp -137.83 173.19 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.89000000000000001 110.583 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -125.71 165.87 24.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.88 110.554 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HG3' ' CD1' ' A' ' 15' ' ' TRP . 75.6 Cg_exo -43.99 177.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.812 2.342 . . . . 0.32000000000000001 112.203 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.42 -42.83 2.17 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.813 -0.915 . . . . 0.26000000000000001 110.813 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.583 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -97.76 -4.28 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.42999999999999999 110.573 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 7' ' ' LEU . 8.4 mp -83.93 167.77 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.46000000000000002 110.584 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 133.71 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 1.0800000000000001 110.608 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 96.84 -172.51 28.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.853 -0.899 . . . . 0.35999999999999999 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.588 ' O ' ' SD ' ' A' ' 14' ' ' MET . 26.1 mtm180 -46.54 -12.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.1100000000000001 110.572 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 9' ' ' GLY . 7.7 mt-10 -58.2 -50.24 74.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 1.03 110.555 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 tt -90.52 -26.13 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.28999999999999998 110.491 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.27 -15.23 58.58 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.14999999999999999 110.995 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.588 ' SD ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -118.28 -40.05 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.35999999999999999 110.708 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.529 ' C ' ' O ' ' A' ' 14' ' ' MET . 23.6 t-105 -28.27 -58.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.68000000000000005 110.656 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.703 ' CG ' ' O ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -173.31 48.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.45000000000000001 110.529 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.557 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -25.14 120.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.40000000000000002 110.815 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -71.06 -7.02 43.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.80000000000000004 110.616 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.51 -127.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.68000000000000005 110.488 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.984 -1.008 . . . . 1.77 110.564 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.075 0 O4'-C4'-C3' 107.215 1.615 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.174 1.574 . . . . 0.56999999999999995 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.783 0 O4'-C4'-C3' 107.335 1.735 . . . . 0.41999999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 C4'-C3'-C2' 104.865 1.665 . . . . 0.51000000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.415 " H4'" " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.905 0 O4'-C4'-C3' 107.21 1.61 . . . . 0.56000000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.612 ' OP2' ' C6 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.079 0 O4'-C4'-C3' 107.095 1.495 . . . . 0.41999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C4'-C3' 107.458 1.858 . . . . 0.34000000000000002 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.104 0 C4'-C3'-C2' 104.998 1.798 . . . . 0.35999999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.271 1.671 . . . . 0.46999999999999997 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.82 0 O4'-C4'-C3' 107.263 1.663 . . . . 0.51000000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 O4'-C4'-C3' 107.449 1.849 . . . . 0.51000000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.111 0 C4'-C3'-C2' 105.132 1.932 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . 0.668 " H4'" ' OP1' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O4'-C4'-C3' 107.456 1.856 . . . . 0.37 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.827 ' OP1' " H3'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.178 0 O4'-C4'-C3' 107.141 1.541 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.424 ' OP2' H2'' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.883 0 C4'-C3'-C2' 105.119 1.919 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.456 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.77 0 O4'-C4'-C3' 107.33 1.73 . . . . 0.76000000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C4'-C3' 107.247 1.647 . . . . 0.40999999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.02 0 O4'-C4'-C3' 107.2 1.6 . . . . 0.78000000000000003 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.412 -0.588 . . . . 1.3999999999999999 109.412 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.01 110.98 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.64000000000000001 110.508 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.667 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -105.76 149.68 38.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.27000000000000002 110.553 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.504 ' HB3' HD22 ' A' ' 7' ' ' LEU . 83.8 Cg_exo -39.59 -73.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.833 2.356 . . . . 0.38 112.2 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.05 -45.75 3.54 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.192 -0.763 . . . . 0.45000000000000001 111.192 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -92.86 11.6 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.662 0.268 . . . . 0.79000000000000004 110.9 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 4' ' ' PRO . 3.8 mp -91.94 163.73 13.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.37 110.443 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 8.1 tmtt? -152.45 120.41 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.44 110.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' N ' ' HD3' ' A' ' 8' ' ' LYS . . . 117.06 -172.13 14.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.916 -0.874 . . . . 0.40000000000000002 110.916 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 14' ' ' MET . 4.8 mtt180 -58.02 -12.23 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.52000000000000002 110.494 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.632 ' O ' ' N ' ' A' ' 15' ' ' TRP . 77.8 mt-10 -51.76 -60.01 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 1.3400000000000001 110.582 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.27000000000000002 110.616 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.457 ' HA3' ' C6 ' ' B' ' 7' ' ' ' DG' . . . -78.55 -23.85 64.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.35999999999999999 111.05 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 24.1 mmt -110.71 -14.26 14.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.39000000000000001 110.685 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.632 ' N ' ' O ' ' A' ' 11' ' ' GLU . 77.2 t-105 -47.45 -49.63 24.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.35999999999999999 110.485 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.58 ' O ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -176.01 9.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.32000000000000001 110.594 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.58 ' O ' ' O ' ' A' ' 16' ' ' TYR . . . 23.69 101.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.40999999999999998 110.896 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' GLN . 11.1 tttt -74.63 -25.02 58.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.71999999999999997 110.519 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' OE1' ' A' ' 20' ' ' GLN . 38.6 mttt 56.03 -84.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.68000000000000005 110.537 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' LYS . 5.1 mm100 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.983 -1.008 . . . . 1.6200000000000001 110.534 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.501 " H4'" ' OP1' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.046 0 C4'-C3'-C2' 104.97 1.77 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.501 ' OP1' " H4'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.048 0 C4'-C3'-C2' 104.913 1.713 . . . . 0.67000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.762 " H4'" ' OP1' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 C4'-C3'-C2' 105.222 2.022 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.762 ' OP1' " H4'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.424 -2.001 0 C1'-O4'-C4' 106.926 -1.982 . . . . 0.79000000000000004 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.733 " H1'" ' OP2' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.903 0 C4'-C3'-C2' 105.219 2.019 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.733 ' OP2' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.919 0 P-O3'-C3' 121.448 1.456 . . . . 1.1799999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.466 ' C2 ' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.028 0 O4'-C4'-C3' 107.337 1.737 . . . . 0.78000000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.466 ' N7 ' ' C2 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.053 0 O4'-C4'-C3' 107.249 1.649 . . . . 0.39000000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.653 ' N2 ' ' C8 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C4'-C3' 107.108 1.508 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.823 " H3'" ' OP1' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C4'-C3' 107.234 1.634 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.605 ' OP2' " H4'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.006 0 C4'-C3'-C2' 105.073 1.873 . . . . 0.46999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.653 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.023 0 O4'-C4'-C3' 107.285 1.685 . . . . 0.42999999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.26 1.66 . . . . 0.34000000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.672 " H1'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.001 0 O4'-C4'-C3' 107.325 1.725 . . . . 0.56999999999999995 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.672 ' OP2' " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.92 0 C4'-C3'-C2' 105.17 1.97 . . . . 0.33000000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.698 ' N2 ' ' C8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.706 0 O4'-C4'-C3' 107.289 1.689 . . . . 0.45000000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.218 1.618 . . . . 0.33000000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 0 O4'-C4'-C3' 107.068 1.468 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.388 -0.597 . . . . 0.76000000000000001 109.388 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -116.58 46.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 1.6200000000000001 110.586 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' MET . 0.1 OUTLIER 38.5 88.99 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.91000000000000003 110.615 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.508 ' O ' ' CE1' ' A' ' 6' ' ' HIS . 50.1 Cg_exo -48.74 -69.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.804 2.336 . . . . 0.51000000000000001 112.18 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.87 -34.13 1.04 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.97 -0.852 . . . . 0.52000000000000002 110.97 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.508 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -90.68 -5.32 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.67000000000000004 110.518 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 4' ' ' PRO . 5.5 mp -81.14 149.93 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.63 110.558 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.56 39.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.44 110.605 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 102.7 177.94 26.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 0.20000000000000001 110.932 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' MET . 6.3 mtt180 -38.96 -17.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.68000000000000005 110.516 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' A' ' 9' ' ' GLY . 2.6 mm-40 -49.64 -67.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.01 110.644 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 tt -68.51 -26.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.44 110.662 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.31 -20.78 78.65 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.067 -0.813 . . . . 0.20999999999999999 111.067 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' ARG . 16.2 mmt -118.36 -20.27 8.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 0.45000000000000001 110.753 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.559 ' N ' ' O ' ' A' ' 11' ' ' GLU . 74.8 t-105 -43.88 -42.05 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.396 -0.366 . . . . 0.63 110.524 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.693 ' CG ' ' O ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -178.46 46.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.33000000000000002 110.699 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.55 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -27.73 85.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.26000000000000001 110.565 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.678 ' N ' ' O ' ' A' ' 16' ' ' TYR . 20.3 ttpt -115.96 -27.01 7.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.503 . . . . 0.94999999999999996 110.51 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HE2' ' N3 ' ' B' ' 8' ' ' ' DG' . 11.8 tptt 43.47 -94.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.52000000000000002 110.509 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' LYS . 11.3 tp60 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.979 -1.01 . . . . 1.1899999999999999 110.593 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C4'-C3' 107.229 1.629 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.556 " H1'" ' OP1' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.055 0 C4'-C3'-C2' 104.915 1.715 . . . . 1.1399999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.702 ' C8 ' ' N2 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.804 0 C4'-C3'-C2' 105.211 2.011 . . . . 0.62 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.697 ' C8 ' ' N3 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.958 0 C4'-C3'-C2' 105.084 1.884 . . . . 0.34999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.062 0 O4'-C4'-C3' 107.263 1.663 . . . . 0.62 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.173 1.573 . . . . 1.53 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.502 ' N3 ' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.998 0 O4'-C4'-C3' 107.167 1.567 . . . . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.502 ' C8 ' ' N3 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.01 0 C4'-C3'-C2' 105.284 2.084 . . . . 0.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.746 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.251 1.651 . . . . 0.39000000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.746 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.888 0 C4'-C3'-C2' 104.847 1.647 . . . . 0.67000000000000004 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.216 0 C4'-C3'-C2' 105.056 1.856 . . . . 0.34000000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.956 0 C4'-C3'-C2' 105.103 1.903 . . . . 0.35999999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . 0.91 " H1'" ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.793 0 C4'-C3'-C2' 104.959 1.759 . . . . 0.52000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.91 ' OP2' " H1'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.933 0 C1'-O4'-C4' 107.423 -1.626 . . . . 0.57999999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.505 ' C2 ' ' N ' ' A' ' 9' ' ' GLY . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C4'-C3' 107.445 1.845 . . . . 0.28999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.702 ' N2 ' ' C8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.427 -1.749 0 C4'-C3'-C2' 105.004 1.804 . . . . 0.35999999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' DG' . . . . . 0.765 " H1'" ' OP1' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -1.997 0 C4'-C3'-C2' 105.07 1.87 . . . . 0.47999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' DT' . . . . . 0.765 ' OP1' " H1'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.162 0 O4'-C4'-C3' 107.288 1.688 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.995 -0.842 . . . . 0.35 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.02 -5.37 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.36 110.588 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.99 149.31 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.617 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.516 ' CD ' ' C ' ' A' ' 8' ' ' LYS . 1.2 tptp -132.43 120.69 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.67 110.43 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.642 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 98.45 -175.28 29.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.45 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -41.71 -13.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.01 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.642 ' N ' ' O ' ' A' ' 9' ' ' GLY . 61.4 mt-10 -53.24 -47.93 68.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.85 110.602 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 tt -83.66 -31.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.28 110.674 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.02 -28.51 73.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.116 -0.794 . . . . 0.5 111.116 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 mmt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.45 110.69 -179.862 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 111.0 -0.84 . . . . 0.41 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 3.96 53.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.82 110.6 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mp -84.8 169.14 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.46 110.546 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.34 128.79 19.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.51 110.634 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 96.65 171.3 34.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.069 -0.812 . . . . 0.35 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 9' ' ' GLY . 17.7 mtm105 -33.75 -25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.77 110.618 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 9' ' ' GLY . 3.2 mm-40 -41.35 -51.05 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 1.27 110.744 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.9 tt -85.62 -26.9 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.45 110.676 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.4 -10.09 78.52 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.016 -0.834 . . . . 0.27 111.016 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.5 mmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.711 0.291 . . . . 0.41 110.791 -179.826 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.969 -0.852 . . . . 0.33 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.6 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -105.57 12.82 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.47 110.444 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -89.65 173.48 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.44 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.32 130.5 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 1.02 110.605 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.58 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 92.75 -172.66 34.34 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.996 -0.842 . . . . 0.59 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 19.4 mtt85 -46.93 -9.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.327 . . . . 1.27 110.591 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.58 ' H ' ' C ' ' A' ' 9' ' ' GLY . 22.5 mt-10 -60.46 -44.88 95.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 1.39 110.654 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 tt -86.16 -26.22 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.3 110.561 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.472 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -77.57 -18.36 77.74 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.159 -0.776 . . . . 0.28 111.159 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.87 110.722 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 110.85 -0.9 . . . . 0.41 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.56 ' C ' HD13 ' A' ' 7' ' ' LEU . 8.7 m80 -108.92 -10.04 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.299 . . . . 0.64 110.623 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.019 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.9 158.88 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.42 110.544 179.598 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 162.02 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.07 110.638 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 94.23 -163.67 25.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.895 -0.882 . . . . 0.75 110.895 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -53.28 -9.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.58 110.596 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 9' ' ' GLY . 5.4 tt0 -62.33 -56.68 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.58 110.753 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 tt -77.0 -31.89 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.37 110.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.15 -16.52 53.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.082 -0.807 . . . . 0.34 111.082 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.5 mmt . . . . . 0 C--N 1.33 -0.278 0 C-N-CA 120.945 -0.302 . . . . 0.61 110.924 -179.796 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.918 -0.873 . . . . 0.46 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.679 ' N ' ' ND1' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.53 11.85 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.6 110.571 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.8 mp -90.13 169.1 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.36 110.539 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -149.29 125.5 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.39 110.595 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.669 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 100.3 175.36 30.13 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.979 -0.848 . . . . 0.31 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.481 ' O ' ' SD ' ' A' ' 14' ' ' MET . 55.4 mtm180 -37.75 -19.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.89 110.532 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.669 ' N ' ' O ' ' A' ' 9' ' ' GLY . 7.5 mt-10 -49.61 -44.18 47.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.05 110.715 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.1 tt -86.44 -32.04 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.28 110.708 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.59 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -75.71 -9.49 84.88 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.087 -0.805 . . . . 0.27 111.087 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.715 0.293 . . . . 0.44 110.765 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.732 -0.947 . . . . 0.46 110.732 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 2.8 p-80 -95.2 5.15 52.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.59 110.373 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 6' ' ' HIS . 4.7 mp -78.8 155.0 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.65 110.485 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' CD ' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -132.17 120.7 22.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.07 110.616 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.671 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 105.0 174.97 24.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.972 -0.851 . . . . 0.33 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLY . 29.2 mtm180 -36.98 -20.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 1.18 110.481 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.671 ' N ' ' O ' ' A' ' 9' ' ' GLY . 22.7 mt-10 -45.85 -48.86 15.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 1.55 110.741 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 tt -84.8 -26.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.31 110.808 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 -18.15 80.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.175 -0.77 . . . . 0.29 111.175 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.682 0.277 . . . . 0.45 110.806 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.807 -0.917 . . . . 0.37 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.633 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.26 -1.62 41.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.47 110.527 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 7' ' ' LEU . 9.5 mp -85.19 160.16 19.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.42 110.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.95 125.21 11.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 1.4 110.538 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.12 -156.03 15.96 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.783 -0.927 . . . . 0.55 110.783 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -63.52 -21.9 66.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.809 0.338 . . . . 1.47 110.52 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.04 -48.07 22.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.95 110.51 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.8 tt -90.46 -26.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.27 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.45 -7.3 57.54 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.894 -0.882 . . . . 0.37 110.894 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.66 110.702 -179.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.813 -0.915 . . . . 0.26 110.813 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.583 ' N ' ' ND1' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -97.76 -4.28 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.43 110.573 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 7' ' ' LEU . 8.4 mp -83.93 167.77 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.46 110.584 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 133.71 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 1.08 110.608 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 96.84 -172.51 28.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.853 -0.899 . . . . 0.36 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.588 ' O ' ' SD ' ' A' ' 14' ' ' MET . 26.1 mtm180 -46.54 -12.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.11 110.572 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 9' ' ' GLY . 7.7 mt-10 -58.2 -50.24 74.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 1.03 110.555 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 tt -90.52 -26.13 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.29 110.491 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.27 -15.23 58.58 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.15 110.995 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.588 ' SD ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.36 110.708 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.764 0 N-CA-C 111.192 -0.763 . . . . 0.45 111.192 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -92.86 11.6 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.662 0.268 . . . . 0.79 110.9 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mp -91.94 163.73 13.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.37 110.443 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' CD ' ' C ' ' A' ' 8' ' ' LYS . 8.1 tmtt? -152.45 120.41 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.44 110.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' N ' ' HD3' ' A' ' 8' ' ' LYS . . . 117.06 -172.13 14.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.916 -0.874 . . . . 0.4 110.916 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 14' ' ' MET . 4.8 mtt180 -58.02 -12.23 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.52 110.494 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -51.76 -60.01 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 1.34 110.582 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.27 110.616 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.55 -23.85 64.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.36 111.05 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 24.1 mmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.39 110.685 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.97 -0.852 . . . . 0.52 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.68 -5.32 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.67 110.518 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mp -81.14 149.93 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.63 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.56 39.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.44 110.605 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 102.7 177.94 26.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 0.2 110.932 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' MET . 6.3 mtt180 -38.96 -17.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.68 110.516 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' A' ' 9' ' ' GLY . 2.6 mm-40 -49.64 -67.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.01 110.644 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 tt -68.51 -26.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.44 110.662 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.31 -20.78 78.65 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.067 -0.813 . . . . 0.21 111.067 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' ARG . 16.2 mmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 0.45 110.753 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.5 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.1 tpt -136.88 -31.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.81 110.594 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.59 154.14 41.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.77 110.495 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' CE1' ' A' ' 6' ' ' HIS . 19.2 Cg_endo -61.23 -72.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.75 2.3 . . . . 0.35 112.056 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.71 -35.51 1.62 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.995 -0.842 . . . . 0.35 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.451 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -80.02 -5.37 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.36 110.588 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.99 149.31 29.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.617 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 1.2 tptp -132.43 120.69 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.67 110.43 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.642 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 98.45 -175.28 29.14 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.917 -0.873 . . . . 0.45 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -41.71 -13.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.01 110.546 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.642 ' N ' ' O ' ' A' ' 9' ' ' GLY . 61.4 mt-10 -53.24 -47.93 68.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.85 110.602 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.4 tt -83.66 -31.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.28 110.674 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.714 ' O ' ' HB2' ' A' ' 17' ' ' ALA . . . -67.02 -28.51 73.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.116 -0.794 . . . . 0.5 111.116 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 mmt -101.4 3.84 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.45 110.69 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -88.45 -38.27 15.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.325 -0.398 . . . . 0.31 110.539 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.689 ' CE2' ' O ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -173.03 45.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.44 110.75 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . -45.09 -16.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.285 -0.416 . . . . 0.31 110.347 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -66.86 15.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.566 . . . . 0.77 110.572 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.689 ' O ' ' CE2' ' A' ' 16' ' ' TYR . 18.7 mtmt 62.75 -106.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.52 110.425 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.575 ' CG ' ' OP1' ' B' ' 11' ' ' ' DG' . 3.0 pt20 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.978 -1.011 . . . . 0.76 110.648 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.079 0 O4'-C4'-C3' 107.233 1.633 . . . . 0.74 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.854 0 C4'-C3'-C2' 104.852 1.652 . . . . 1.28 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.402 " O4'" ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.9 0 C4'-C3'-C2' 104.957 1.757 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.951 0 C4'-C3'-C2' 105.066 1.866 . . . . 0.49 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.891 " H4'" " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.901 0 O4'-C4'-C3' 107.227 1.627 . . . . 0.37 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.891 " O5'" " H4'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.035 0 C4'-C3'-C2' 104.777 1.577 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.633 ' OP1' H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.003 0 C4'-C3'-C2' 105.13 1.93 . . . . 0.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.456 ' C8 ' ' N2 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 C4'-C3'-C2' 104.93 1.73 . . . . 0.39 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.946 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.809 0 O4'-C4'-C3' 107.078 1.478 . . . . 0.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.946 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.776 0 O4'-C4'-C3' 107.216 1.616 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.575 ' OP1' ' CG ' ' A' ' 20' ' ' GLN . . . . . . . . 0 C5'--C4' 1.526 1.846 0 C4'-C3'-C2' 105.104 1.904 . . . . 0.47 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.421 ' H21' " H2'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.052 0 C4'-C3'-C2' 104.89 1.69 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . 0.474 ' N2 ' ' C8 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 O4'-C4'-C3' 107.207 1.607 . . . . 0.39 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.72 " H1'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 O4'-C4'-C3' 107.433 1.833 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.72 ' OP2' " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.921 0 C3'-C2'-C1' 100.701 -1.428 . . . . 0.49 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.606 ' OP2' ' C8 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.325 0 C4'-C3'-C2' 104.852 1.652 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.856 0 O4'-C4'-C3' 107.213 1.613 . . . . 0.39 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.005 0 O4'-C4'-C3' 107.212 1.612 . . . . 0.88 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.296 -0.631 . . . . 1.28 109.296 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.71 165.76 24.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.8 110.509 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 47.82 73.69 0.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.91 110.607 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.653 ' O ' ' CE1' ' A' ' 6' ' ' HIS . 67.6 Cg_exo -45.75 -72.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.857 2.371 . . . . 0.42 112.195 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.27 -32.57 0.67 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.0 -0.84 . . . . 0.41 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.653 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -95.75 3.96 53.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.82 110.6 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.608 HD13 ' HB3' ' A' ' 4' ' ' PRO . 4.9 mp -84.8 169.14 14.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.46 110.546 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' HG2' ' N3 ' ' B' ' 15' ' ' ' DG' . 0.0 OUTLIER -143.34 128.79 19.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.51 110.634 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.668 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 96.65 171.3 34.49 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.069 -0.812 . . . . 0.35 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 9' ' ' GLY . 17.7 mtm105 -33.75 -25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.77 110.618 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 9' ' ' GLY . 3.2 mm-40 -41.35 -51.05 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 1.27 110.744 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.9 tt -85.62 -26.9 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.45 110.676 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' HA3' ' C6 ' ' B' ' 7' ' ' ' DG' . . . -73.4 -10.09 78.52 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.016 -0.834 . . . . 0.27 111.016 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.541 ' O ' ' C ' ' A' ' 15' ' ' TRP . 27.5 mmt -110.16 -51.12 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.711 0.291 . . . . 0.41 110.791 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.541 ' C ' ' O ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -28.37 -58.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 1.16 110.643 -179.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 17' ' ' ALA . 6.0 p90 -154.11 -25.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.396 -0.366 . . . . 0.47 110.656 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.645 ' HB1' ' N2 ' ' B' ' 7' ' ' ' DG' . . . 54.24 176.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.27 110.706 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.721 ' NZ ' ' H21' ' B' ' 8' ' ' ' DG' . 1.2 tttp -66.64 -13.59 61.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.61 110.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.58 ' O ' ' OXT' ' A' ' 20' ' ' GLN . 23.8 ttmt -45.51 -40.36 8.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.177 -0.465 . . . . 1.13 110.265 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.58 ' OXT' ' O ' ' A' ' 19' ' ' LYS . 17.5 tp60 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.987 -1.006 . . . . 0.65 110.607 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.132 0 O4'-C4'-C3' 107.23 1.63 . . . . 0.82 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.415 ' OP1' " O4'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.871 0 C4'-C3'-C2' 104.762 1.562 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.532 ' C8 ' ' N2 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.803 0 O4'-C4'-C3' 107.421 1.821 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.861 0 C4'-C3'-C2' 105.013 1.813 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.785 " H4'" " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.015 0 O4'-C4'-C3' 107.286 1.686 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.785 " O5'" " H4'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.929 0 C4'-C3'-C2' 104.909 1.709 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.717 ' H21' ' H ' ' A' ' 18' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.827 0 O4'-C4'-C3' 107.425 1.825 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.721 ' H21' ' NZ ' ' A' ' 18' ' ' LYS . . . . . . . . 0 C5'--C4' 1.528 2.07 0 C4'-C3'-C2' 105.092 1.892 . . . . 0.49 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.416 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.842 0 O4'-C4'-C3' 107.403 1.803 . . . . 0.74 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.416 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.057 0 O4'-C4'-C3' 107.217 1.617 . . . . 0.47 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.458 " H2'" ' HZ2' ' A' ' 18' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.023 0 C4'-C3'-C2' 105.052 1.852 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.073 0 C4'-C3'-C2' 105.197 1.997 . . . . 0.5 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . 0.724 " H1'" ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.683 0 C4'-C3'-C2' 104.884 1.684 . . . . 0.37 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.724 ' OP2' " H1'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.941 0 C4'-C3'-C2' 104.898 1.698 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.43 ' N3 ' ' HG2' ' A' ' 8' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.857 0 O4'-C4'-C3' 107.491 1.891 . . . . 0.34 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.104 ' N3 ' ' H71' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.817 0 O4'-C4'-C3' 107.243 1.643 . . . . 0.47 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.882 " H1'" ' OP2' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 P--O5' 1.612 1.913 0 C4'-C3'-C2' 105.157 1.957 . . . . 0.37 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . 1.104 ' H71' ' N3 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 P--O5' 1.61 1.728 0 C3'-C2'-C1' 100.544 -1.54 . . . . 0.46 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.427 -0.583 . . . . 0.87 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -92.69 -39.73 11.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.9 110.529 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -75.17 169.25 21.25 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.9 110.511 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 3' ' ' HIS . 67.9 Cg_exo -46.19 179.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.858 2.372 . . . . 0.39 112.157 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.8 -48.03 1.07 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.969 -0.852 . . . . 0.33 110.969 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.6 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -105.57 12.82 30.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.47 110.444 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -89.65 173.48 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.44 110.626 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HG2' ' N3 ' ' B' ' 15' ' ' ' DG' . 0.5 OUTLIER -159.32 130.5 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 1.02 110.605 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.58 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 92.75 -172.66 34.34 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.996 -0.842 . . . . 0.59 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB3' ' SD ' ' A' ' 14' ' ' MET . 19.4 mtt85 -46.93 -9.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.327 . . . . 1.27 110.591 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.58 ' H ' ' C ' ' A' ' 9' ' ' GLY . 22.5 mt-10 -60.46 -44.88 95.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 1.39 110.654 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.4 tt -86.16 -26.22 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.3 110.561 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.472 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -77.57 -18.36 77.74 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.159 -0.776 . . . . 0.28 111.159 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -117.04 12.01 14.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.87 110.722 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -83.03 -54.51 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.89 110.539 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.715 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -177.89 53.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.55 110.555 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.57 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -22.74 96.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.964 -0.562 . . . . 0.42 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' TYR . 2.6 ttpp -66.85 -19.07 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.01 110.609 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mttp 52.14 -106.52 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.6 110.645 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.426 ' H ' ' HG3' ' A' ' 20' ' ' GLN . 3.1 pp0? . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.965 -1.017 . . . . 1.69 110.641 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.643 " H4'" ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.031 0 O4'-C4'-C3' 107.246 1.646 . . . . 0.62 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.643 ' OP2' " H4'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.858 0 O4'-C4'-C3' 107.211 1.611 . . . . 0.75 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.671 ' OP1' " H4'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.878 0 C4'-C3'-C2' 105.065 1.865 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.972 0 C4'-C3'-C2' 104.905 1.705 . . . . 0.45 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.781 0 O4'-C4'-C3' 107.234 1.634 . . . . 0.7 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.654 " H1'" ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.977 0 C4'-C3'-C2' 104.806 1.606 . . . . 0.49 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.654 ' OP2' " H1'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.377 1.777 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.052 0 C1'-O4'-C4' 107.048 -1.895 . . . . 0.42 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.455 ' N2 ' ' C8 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.899 0 O4'-C4'-C3' 107.14 1.54 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.944 0 O4'-C4'-C3' 106.854 1.254 . . . . 1.03 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.538 " H4'" ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.869 0 O4'-C4'-C3' 107.493 1.893 . . . . 0.45 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.455 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.014 0 C4'-C3'-C2' 104.975 1.775 . . . . 0.29 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . 0.549 ' N2 ' ' C8 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.833 0 O4'-C4'-C3' 107.19 1.59 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.798 " H1'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.933 0 O4'-C1'-C2' 108.2 1.909 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.798 ' OP2' " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.423 -2.084 0 C4'-C3'-C2' 105.167 1.967 . . . . 0.52 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.549 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.894 0 O4'-C4'-C3' 107.349 1.749 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.003 0 O4'-C4'-C3' 107.266 1.666 . . . . 0.56 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.051 0 O4'-C4'-C3' 107.134 1.534 . . . . 1.11 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.435 -0.58 . . . . 0.77 109.435 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.2 tpp -176.91 2.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 1.47 110.656 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.693 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 5.0 m170 -106.18 147.69 35.29 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.78 110.428 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.525 ' O ' ' O ' ' A' ' 3' ' ' HIS . 88.5 Cg_exo -32.74 161.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.207 2.605 . . . . 0.46 112.581 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.95 -15.06 1.9 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.85 -0.9 . . . . 0.41 110.85 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.693 ' ND1' ' O ' ' A' ' 3' ' ' HIS . 8.7 m80 -108.92 -10.04 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.299 . . . . 0.64 110.623 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.019 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.9 158.88 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.42 110.544 179.598 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 162.02 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.07 110.638 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' GLU . . . 94.23 -163.67 25.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.895 -0.882 . . . . 0.75 110.895 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.476 HH22 " H5'" ' B' ' 4' ' ' ' DG' . 15.9 mtt-85 -53.28 -9.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.888 0.375 . . . . 0.58 110.596 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 9' ' ' GLY . 5.4 tt0 -62.33 -56.68 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.58 110.753 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 tt -77.0 -31.89 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.37 110.722 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.72 ' O ' ' HB2' ' A' ' 17' ' ' ALA . . . -62.15 -16.52 53.55 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.082 -0.807 . . . . 0.34 111.082 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.5 mmt -118.73 -20.0 8.44 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.945 -0.302 . . . . 0.61 110.924 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -95.02 -31.2 13.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.492 -0.322 . . . . 0.6 111.047 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -125.85 29.7 5.86 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.853 -0.339 . . . . 0.92 111.158 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . -72.45 66.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.032 0.444 . . . . 0.27 110.095 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -7.57 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.42 110.512 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.5 mttt 54.66 -95.21 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.83 110.548 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.971 -1.014 . . . . 0.88 110.539 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.862 " H4'" ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.119 0 O4'-C4'-C3' 107.259 1.659 . . . . 1.12 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.862 ' OP2' " H4'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.804 0 O4'-C4'-C3' 107.173 1.573 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.748 ' OP1' " H1'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.754 0 O4'-C4'-C3' 107.337 1.737 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.476 " H5'" HH22 ' A' ' 10' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.842 0 C4'-C3'-C2' 105.071 1.871 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.671 " H1'" ' OP2' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.822 0 C4'-C3'-C2' 105.116 1.916 . . . . 0.39 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.671 ' OP2' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.079 0 O4'-C4'-C3' 107.177 1.577 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.506 ' N3 ' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.815 0 O4'-C4'-C3' 107.408 1.808 . . . . 0.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.506 ' C8 ' ' N3 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.105 0 C4'-C3'-C2' 105.195 1.995 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.547 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.833 0 O4'-C4'-C3' 107.36 1.76 . . . . 0.51 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.547 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.892 0 C4'-C3'-C2' 105.082 1.882 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.79 0 C4'-C3'-C2' 105.008 1.808 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -1.871 0 C4'-C3'-C2' 105.109 1.909 . . . . 0.54 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . 0.887 " H1'" ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.427 -1.77 0 C4'-C3'-C2' 105.028 1.828 . . . . 0.8 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.887 ' OP2' " H1'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.812 0 O4'-C4'-C3' 106.857 1.257 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.488 " O5'" " H4'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.16 0 C4'-C3'-C2' 105.2 2.0 . . . . 0.49 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.509 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.944 0 O4'-C4'-C3' 107.387 1.787 . . . . 0.33 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.919 0 C4'-C3'-C2' 105.023 1.823 . . . . 0.29 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.981 0 O4'-C4'-C3' 107.228 1.628 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.389 -0.597 . . . . 0.78 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.8 mtm -153.64 -0.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.66 110.492 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.505 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -66.92 -50.84 41.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.81 110.558 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 3' ' ' HIS . 58.9 Cg_exo -47.24 163.99 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.845 2.363 . . . . 0.43 112.096 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.78 -53.42 0.58 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.918 -0.873 . . . . 0.46 110.918 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.679 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.53 11.85 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.6 110.571 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.8 mp -90.13 169.1 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.36 110.539 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -149.29 125.5 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.39 110.595 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.669 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 100.3 175.36 30.13 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.979 -0.848 . . . . 0.31 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.481 ' O ' ' SD ' ' A' ' 14' ' ' MET . 55.4 mtm180 -37.75 -19.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.89 110.532 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.669 ' N ' ' O ' ' A' ' 9' ' ' GLY . 7.5 mt-10 -49.61 -44.18 47.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.05 110.715 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.1 tt -86.44 -32.04 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.28 110.708 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.59 ' C ' ' SD ' ' A' ' 14' ' ' MET . . . -75.71 -9.49 84.88 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.087 -0.805 . . . . 0.27 111.087 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -118.06 -33.3 4.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.715 0.293 . . . . 0.44 110.765 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -33.97 -57.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.383 -0.371 . . . . 0.73 110.485 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -170.7 36.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.45 110.465 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -31.85 94.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.46 110.535 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 16' ' ' TYR . 6.5 pttt -75.79 2.22 12.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.95 110.579 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 18' ' ' LYS . 10.3 ptpt 34.84 46.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.71 110.533 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.51 ' OXT' " C5'" ' B' ' 11' ' ' ' DG' . 1.1 tm0? . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.982 -1.009 . . . . 1.03 110.556 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.136 0 O4'-C4'-C3' 107.232 1.632 . . . . 1.62 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.82 0 O4'-C4'-C3' 106.925 1.325 . . . . 0.84 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.449 ' C2 ' ' HG2' ' A' ' 10' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.904 0 C4'-C3'-C2' 105.044 1.844 . . . . 0.28 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.873 0 C4'-C3'-C2' 104.894 1.694 . . . . 0.31 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.78 " H1'" ' OP2' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -2.028 0 C4'-C3'-C2' 105.274 2.074 . . . . 0.47 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.78 ' OP2' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.088 0 O4'-C4'-C3' 107.232 1.632 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.677 " H4'" ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.018 0 O4'-C1'-C2' 107.843 1.584 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.636 ' N2 ' ' C4 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.096 0 C4'-C3'-C2' 105.016 1.816 . . . . 0.4 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.66 " H1'" ' OP2' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.818 0 C4'-C3'-C2' 104.798 1.598 . . . . 0.38 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.66 ' OP2' " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.87 0 O4'-C4'-C3' 107.184 1.584 . . . . 1.04 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.554 ' OP2' " H4'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.002 0 C4'-C3'-C2' 105.095 1.895 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.622 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 P--O5' 1.612 1.918 0 C4'-C3'-C2' 104.998 1.798 . . . . 0.43 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . 0.572 ' N2 ' ' C8 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.76 0 O4'-C4'-C3' 107.415 1.815 . . . . 0.36 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.488 " H4'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.954 0 C4'-C3'-C2' 104.877 1.677 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.488 ' OP2' " H4'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.88 0 O4'-C4'-C3' 107.545 1.945 . . . . 0.49 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.572 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.766 0 O4'-C4'-C3' 107.372 1.772 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.789 0 O4'-C4'-C3' 107.208 1.608 . . . . 0.3 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.144 1.544 . . . . 0.84 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.36 -0.608 . . . . 1.05 109.36 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.08 98.45 4.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.94 110.661 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -112.49 153.03 45.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.99 110.477 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 3' ' ' HIS . 83.7 Cg_exo -40.0 177.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.851 2.367 . . . . 0.29 112.238 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.82 -48.82 0.9 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.732 -0.947 . . . . 0.46 110.732 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 2.8 p-80 -95.2 5.15 52.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.407 . . . . 0.59 110.373 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 6' ' ' HIS . 4.7 mp -78.8 155.0 29.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.65 110.485 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -132.17 120.7 22.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 1.07 110.616 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.671 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 105.0 174.97 24.51 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.972 -0.851 . . . . 0.33 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HG2' ' C4 ' ' B' ' 3' ' ' ' DG' . 29.2 mtm180 -36.98 -20.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 1.18 110.481 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.671 ' N ' ' O ' ' A' ' 9' ' ' GLY . 22.7 mt-10 -45.85 -48.86 15.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 1.55 110.741 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.1 tt -84.8 -26.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.31 110.808 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 -18.15 80.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.175 -0.77 . . . . 0.29 111.175 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.539 ' O ' ' C ' ' A' ' 15' ' ' TRP . 25.4 mmt -105.47 -61.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.682 0.277 . . . . 0.45 110.806 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.539 ' C ' ' O ' ' A' ' 14' ' ' MET . 3.1 t-105 -28.32 -47.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.63 110.674 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.685 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 0.2 OUTLIER -174.46 143.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.51 110.582 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.65 103.05 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.36 110.439 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -66.77 -34.04 76.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.41 110.575 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.2 ptpt 22.96 61.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 0.55 110.842 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.968 -1.015 . . . . 1.16 110.508 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.653 " H4'" ' OP1' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.019 0 O4'-C4'-C3' 107.24 1.64 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.747 " H4'" ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O4'-C4'-C3' 107.205 1.605 . . . . 0.94 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.747 ' OP2' " H4'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.909 0 C4'-C3'-C2' 104.947 1.747 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.899 0 O4'-C4'-C3' 107.169 1.569 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 0 O4'-C4'-C3' 107.27 1.67 . . . . 0.52 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.882 0 O4'-C4'-C3' 107.22 1.62 . . . . 1.08 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.564 " H4'" ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.834 0 O4'-C1'-C2' 107.826 1.569 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.4 ' N2 ' ' C4 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.421 -2.313 0 C1'-O4'-C4' 107.15 -1.822 . . . . 0.34 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.508 ' N2 ' ' C8 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.272 1.672 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.412 H2'' ' OP1' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.082 0 O4'-C4'-C3' 107.259 1.659 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.412 ' OP1' H2'' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.779 0 O4'-C4'-C3' 107.431 1.831 . . . . 0.29 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.508 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.054 0 C4'-C3'-C2' 104.99 1.79 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . 0.751 " H4'" " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 O4'-C4'-C3' 107.214 1.614 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.751 " O5'" " H4'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 0 C4'-C3'-C2' 104.925 1.725 . . . . 1.6 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.826 " H4'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.009 0 O4'-C4'-C3' 107.248 1.648 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.538 ' OP2' " H4'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 O4'-C4'-C3' 107.324 1.724 . . . . 0.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.674 " H4'" ' OP1' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.853 0 O4'-C4'-C3' 107.202 1.602 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . 0.674 ' OP1' " H4'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.951 0 C1'-O4'-C4' 106.846 -2.038 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.516 ' O ' ' CB ' ' A' ' 2' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.326 -0.62 . . . . 1.31 109.326 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER 159.62 -46.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.76 110.439 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.472 ' N ' ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER 175.96 -52.93 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.57 110.511 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 3' ' ' HIS . 77.5 Cg_exo -45.26 170.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.767 2.312 . . . . 0.46 112.148 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.5 -49.02 1.49 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.807 -0.917 . . . . 0.37 110.807 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.633 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -98.26 -1.62 41.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.47 110.527 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 7' ' ' LEU . 9.5 mp -85.19 160.16 19.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.42 110.587 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' HB2' ' N3 ' ' B' ' 15' ' ' ' DG' . 0.0 OUTLIER -147.95 125.21 11.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 1.4 110.538 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' N ' ' C2 ' ' B' ' 15' ' ' ' DG' . . . 108.12 -156.03 15.96 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.783 -0.927 . . . . 0.55 110.783 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -63.52 -21.9 66.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.809 0.338 . . . . 1.47 110.52 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.04 -48.07 22.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.95 110.51 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.556 HD13 ' C2 ' ' B' ' 11' ' ' ' DG' . 15.8 tt -90.46 -26.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.27 110.409 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.8 ' O ' ' HB2' ' A' ' 17' ' ' ALA . . . -69.45 -7.3 57.54 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.894 -0.882 . . . . 0.37 110.894 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.0 mmt -118.35 -21.43 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.31 . . . . 0.66 110.702 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -93.94 -41.35 9.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.5 110.756 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.21 24.26 13.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.58 110.781 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.8 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . -80.86 11.53 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.45 110.405 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -68.38 2.83 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.45 110.55 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 17' ' ' ALA . 12.8 mttp 60.0 -116.52 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 1.03 110.57 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.97 -1.014 . . . . 1.37 110.562 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.837 " H1'" ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.046 0 C4'-C3'-C2' 105.03 1.83 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.91 " H4'" ' OP1' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.934 0 O4'-C4'-C3' 107.213 1.613 . . . . 0.88 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.743 " H3'" ' OP1' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.423 -2.121 0 C4'-C3'-C2' 105.091 1.891 . . . . 0.49 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.91 ' OP1' " H4'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.934 0 C4'-C3'-C2' 104.912 1.712 . . . . 0.27 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.872 " H4'" " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.837 0 O4'-C4'-C3' 107.148 1.548 . . . . 0.39 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.872 " O5'" " H4'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.793 0 O4'-C4'-C3' 107.243 1.643 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.208 0 C4'-C3'-C2' 105.071 1.871 . . . . 0.68 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.565 " H4'" ' OP1' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 C1'-O4'-C4' 107.015 -1.918 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.969 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.017 0 O4'-C4'-C3' 107.134 1.534 . . . . 0.34 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.969 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.761 0 C4'-C3'-C2' 104.911 1.711 . . . . 0.53 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.556 ' C2 ' HD13 ' A' ' 12' ' ' ILE . . . . . . . . 0 C5'--C4' 1.526 1.836 0 C4'-C3'-C2' 104.963 1.763 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.525 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.98 0 C4'-C3'-C2' 104.963 1.763 . . . . 0.35 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . 0.632 " H4'" " O5'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.85 0 O4'-C4'-C3' 107.14 1.54 . . . . 0.36 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.632 " O5'" " H4'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.424 -1.963 0 C1'-O4'-C4' 107.13 -1.836 . . . . 0.97 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.477 ' C8 ' ' N2 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.88 0 O4'-C4'-C3' 107.549 1.949 . . . . 0.26 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.404 ' N2 ' ' C8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.425 -1.945 0 C4'-C3'-C2' 104.914 1.714 . . . . 0.31 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.902 0 O4'-C4'-C3' 107.336 1.736 . . . . 0.54 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.061 0 O4'-C4'-C3' 107.106 1.506 . . . . 0.81 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.36 -0.607 . . . . 1.15 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 35.5 mtp -137.83 173.19 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.89 110.583 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -125.71 165.87 24.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.88 110.554 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HG3' ' CD1' ' A' ' 15' ' ' TRP . 75.6 Cg_exo -43.99 177.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.812 2.342 . . . . 0.32 112.203 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.42 -42.83 2.17 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.813 -0.915 . . . . 0.26 110.813 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.583 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -97.76 -4.28 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.43 110.573 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.4 mp -83.93 167.77 16.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.46 110.584 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 133.71 14.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 1.08 110.608 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 96.84 -172.51 28.45 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.853 -0.899 . . . . 0.36 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.588 ' O ' ' SD ' ' A' ' 14' ' ' MET . 26.1 mtm180 -46.54 -12.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.11 110.572 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 9' ' ' GLY . 7.7 mt-10 -58.2 -50.24 74.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 1.03 110.555 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 tt -90.52 -26.13 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.29 110.491 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.27 -15.23 58.58 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.995 -0.842 . . . . 0.15 110.995 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.588 ' SD ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -118.28 -40.05 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.36 110.708 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.529 ' C ' ' O ' ' A' ' 14' ' ' MET . 23.6 t-105 -28.27 -58.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.68 110.656 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.703 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -173.31 48.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.45 110.529 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.557 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -25.14 120.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.067 -0.515 . . . . 0.4 110.815 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -71.06 -7.02 43.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.8 110.616 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.51 -127.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.68 110.488 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.984 -1.008 . . . . 1.77 110.564 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.075 0 O4'-C4'-C3' 107.215 1.615 . . . . 0.94 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 0 O4'-C4'-C3' 107.174 1.574 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.783 0 O4'-C4'-C3' 107.335 1.735 . . . . 0.42 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 C4'-C3'-C2' 104.865 1.665 . . . . 0.51 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.415 " H4'" " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.905 0 O4'-C4'-C3' 107.21 1.61 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.612 ' C6 ' ' OP2' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.079 0 O4'-C4'-C3' 107.095 1.495 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.92 0 O4'-C4'-C3' 107.458 1.858 . . . . 0.34 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.104 0 C4'-C3'-C2' 104.998 1.798 . . . . 0.36 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.871 0 O4'-C4'-C3' 107.271 1.671 . . . . 0.47 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.82 0 O4'-C4'-C3' 107.263 1.663 . . . . 0.51 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.947 0 O4'-C4'-C3' 107.449 1.849 . . . . 0.51 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.111 0 C4'-C3'-C2' 105.132 1.932 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . 0.668 " H4'" ' OP1' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.756 0 O4'-C4'-C3' 107.456 1.856 . . . . 0.37 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.827 " H3'" ' OP1' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.178 0 O4'-C4'-C3' 107.141 1.541 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.424 ' OP2' H2'' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.425 -1.883 0 C4'-C3'-C2' 105.119 1.919 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.456 ' C8 ' ' N2 ' ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.77 0 O4'-C4'-C3' 107.33 1.73 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.836 0 O4'-C4'-C3' 107.247 1.647 . . . . 0.41 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.02 0 O4'-C4'-C3' 107.2 1.6 . . . . 0.78 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.412 -0.588 . . . . 1.4 109.412 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.01 110.98 1.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.64 110.508 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.667 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -105.76 149.68 38.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.27 110.553 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.504 ' HB3' HD22 ' A' ' 7' ' ' LEU . 83.8 Cg_exo -39.59 -73.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.833 2.356 . . . . 0.38 112.2 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.05 -45.75 3.54 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.192 -0.763 . . . . 0.45 111.192 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -92.86 11.6 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.662 0.268 . . . . 0.79 110.9 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 4' ' ' PRO . 3.8 mp -91.94 163.73 13.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.37 110.443 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 8.1 tmtt? -152.45 120.41 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.44 110.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' N ' ' HD3' ' A' ' 8' ' ' LYS . . . 117.06 -172.13 14.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.916 -0.874 . . . . 0.4 110.916 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 14' ' ' MET . 4.8 mtt180 -58.02 -12.23 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.52 110.494 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.632 ' O ' ' N ' ' A' ' 15' ' ' TRP . 77.8 mt-10 -51.76 -60.01 3.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 1.34 110.582 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.4 tt -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.27 110.616 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.457 ' HA3' ' C6 ' ' B' ' 7' ' ' ' DG' . . . -78.55 -23.85 64.08 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.36 111.05 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ARG . 24.1 mmt -110.71 -14.26 14.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.39 110.685 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.632 ' N ' ' O ' ' A' ' 11' ' ' GLU . 77.2 t-105 -47.45 -49.63 24.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.36 110.485 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.58 ' O ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -176.01 9.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.32 110.594 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.58 ' O ' ' O ' ' A' ' 16' ' ' TYR . . . 23.69 101.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.41 110.896 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' GLN . 11.1 tttt -74.63 -25.02 58.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.72 110.519 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' OE1' ' A' ' 20' ' ' GLN . 38.6 mttt 56.03 -84.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.68 110.537 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' LYS . 5.1 mm100 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.983 -1.008 . . . . 1.62 110.534 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.501 " H4'" ' OP1' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.046 0 C4'-C3'-C2' 104.97 1.77 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.501 ' OP1' " H4'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.048 0 C4'-C3'-C2' 104.913 1.713 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.762 " H4'" ' OP1' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.915 0 C4'-C3'-C2' 105.222 2.022 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.762 ' OP1' " H4'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.424 -2.001 0 C1'-O4'-C4' 106.926 -1.982 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.733 " H1'" ' OP2' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.903 0 C4'-C3'-C2' 105.219 2.019 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.733 ' OP2' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.919 0 P-O3'-C3' 121.448 1.456 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.466 ' C2 ' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.028 0 O4'-C4'-C3' 107.337 1.737 . . . . 0.78 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.466 ' N7 ' ' C2 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.053 0 O4'-C4'-C3' 107.249 1.649 . . . . 0.39 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.653 ' N2 ' ' C8 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.932 0 O4'-C4'-C3' 107.108 1.508 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.823 " H3'" ' OP1' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 1.986 0 O4'-C4'-C3' 107.234 1.634 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.605 ' OP2' " H4'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.527 2.006 0 C4'-C3'-C2' 105.073 1.873 . . . . 0.47 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.653 ' C8 ' ' N2 ' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.023 0 O4'-C4'-C3' 107.285 1.685 . . . . 0.43 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.26 1.66 . . . . 0.34 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.672 " H1'" ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.001 0 O4'-C4'-C3' 107.325 1.725 . . . . 0.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.672 ' OP2' " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.92 0 C4'-C3'-C2' 105.17 1.97 . . . . 0.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.698 ' N2 ' ' C8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.706 0 O4'-C4'-C3' 107.289 1.689 . . . . 0.45 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.218 1.618 . . . . 0.33 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.056 0 O4'-C4'-C3' 107.068 1.468 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.388 -0.597 . . . . 0.76 109.388 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -116.58 46.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 1.62 110.586 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' MET . 0.1 OUTLIER 38.5 88.99 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.91 110.615 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.508 ' O ' ' CE1' ' A' ' 6' ' ' HIS . 50.1 Cg_exo -48.74 -69.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.804 2.336 . . . . 0.51 112.18 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.87 -34.13 1.04 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.97 -0.852 . . . . 0.52 110.97 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.508 ' CE1' ' O ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -90.68 -5.32 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.67 110.518 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 4' ' ' PRO . 5.5 mp -81.14 149.93 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.63 110.558 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 128.56 39.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.44 110.605 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.66 ' O ' ' N ' ' A' ' 11' ' ' GLU . . . 102.7 177.94 26.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 0.2 110.932 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' MET . 6.3 mtt180 -38.96 -17.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.68 110.516 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' A' ' 9' ' ' GLY . 2.6 mm-40 -49.64 -67.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.01 110.644 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 tt -68.51 -26.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.44 110.662 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.31 -20.78 78.65 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.067 -0.813 . . . . 0.21 111.067 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' ARG . 16.2 mmt -118.36 -20.27 8.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 0.45 110.753 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.559 ' N ' ' O ' ' A' ' 11' ' ' GLU . 74.8 t-105 -43.88 -42.05 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.396 -0.366 . . . . 0.63 110.524 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.693 ' O ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -178.46 46.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.33 110.699 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.55 ' C ' ' O ' ' A' ' 16' ' ' TYR . . . -27.73 85.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.26 110.565 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.678 ' N ' ' O ' ' A' ' 16' ' ' TYR . 20.3 ttpt -115.96 -27.01 7.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.503 . . . . 0.95 110.51 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HE2' ' N3 ' ' B' ' 8' ' ' ' DG' . 11.8 tptt 43.47 -94.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.52 110.509 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' LYS . 11.3 tp60 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.979 -1.01 . . . . 1.19 110.593 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.011 0 O4'-C4'-C3' 107.229 1.629 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.556 " H1'" ' OP1' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.055 0 C4'-C3'-C2' 104.915 1.715 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.702 ' C8 ' ' N2 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.804 0 C4'-C3'-C2' 105.211 2.011 . . . . 0.62 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.697 ' C8 ' ' N3 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.958 0 C4'-C3'-C2' 105.084 1.884 . . . . 0.35 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.062 0 O4'-C4'-C3' 107.263 1.663 . . . . 0.62 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 107.173 1.573 . . . . 1.53 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.502 ' N3 ' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 1.998 0 O4'-C4'-C3' 107.167 1.567 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.502 ' C8 ' ' N3 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.527 2.01 0 C4'-C3'-C2' 105.284 2.084 . . . . 0.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.746 " H4'" " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.526 1.897 0 O4'-C4'-C3' 107.251 1.651 . . . . 0.39 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.746 " O5'" " H4'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.888 0 C4'-C3'-C2' 104.847 1.647 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.216 0 C4'-C3'-C2' 105.056 1.856 . . . . 0.34 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.956 0 C4'-C3'-C2' 105.103 1.903 . . . . 0.36 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . 0.91 " H1'" ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.525 1.793 0 C4'-C3'-C2' 104.959 1.759 . . . . 0.52 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.91 ' OP2' " H1'" ' B' ' 13' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.933 0 C1'-O4'-C4' 107.423 -1.626 . . . . 0.58 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.505 ' C2 ' ' N ' ' A' ' 9' ' ' GLY . . . . . . . . 0 C5'--C4' 1.526 1.924 0 O4'-C4'-C3' 107.445 1.845 . . . . 0.29 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.702 ' N2 ' ' C8 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.427 -1.749 0 C4'-C3'-C2' 105.004 1.804 . . . . 0.36 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' DG' . . . . . 0.765 " H1'" ' OP1' ' B' ' 18' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.424 -1.997 0 C4'-C3'-C2' 105.07 1.87 . . . . 0.48 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' DT' . . . . . 0.765 ' OP1' " H1'" ' B' ' 17' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.162 0 O4'-C4'-C3' 107.288 1.688 . . . . 1.11 . . . . . . . . . . 1 1 . 1 stop_ save_