data_1fsb_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 1fsb _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 3' ' ' SER . . . . . . . . . . . . . 39.7 p . . . . . 0 CA--C 1.513 -0.465 0 CA-C-O 121.962 0.887 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 25.32 91.13 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 125.762 1.625 . . . . 0.0 114.055 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -121.33 -165.44 1.23 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.669 0.747 . . . . 0.0 111.442 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.51 -52.22 55.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.015 0.912 . . . . 0.0 111.306 -170.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -111.23 59.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.635 0.731 . . . . 0.0 111.499 178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.542 0.687 . . . . 0.0 111.501 169.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.39 62.95 1.35 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.947 0.879 . . . . 0.0 110.981 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.88 24.88 14.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.487 0.661 . . . . 0.0 111.323 -173.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp 44.62 47.7 8.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.928 0.87 . . . . 0.0 111.233 -171.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.87 29.28 3.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.067 0.937 . . . . 0.0 111.353 -173.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.6 170.5 36.44 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.66 145.05 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.052 0.929 . . . . 0.0 111.109 -172.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.27 131.97 37.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.613 0.721 . . . . 0.0 110.984 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.43 77.36 1.05 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.179 0.99 . . . . 0.0 110.673 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.23 163.48 1.62 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.617 1.198 . . . . 0.0 112.019 -170.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.8 -170.66 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.796 -170.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -4.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -171.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.68 31.16 0.07 OUTLIER Glycine 0 C--N 1.319 -0.403 0 N-CA-C 110.724 -0.951 . . . . 0.0 110.724 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.35 -154.93 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.93 -0.747 . . . . 0.0 110.607 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.8 -179.69 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.55 1.167 . . . . 0.0 112.461 169.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 p -137.09 -163.96 1.51 Allowed 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.49 169.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.1 m -136.05 131.48 34.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.41 1.1 . . . . 0.0 111.936 -170.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 p -105.56 86.53 2.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.883 0.849 . . . . 0.0 110.775 170.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.93 130.66 38.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.939 0.876 . . . . 0.0 111.702 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -51.89 156.43 2.52 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 121.829 0.824 . . . . 0.0 111.012 171.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.73 102.83 1.47 Allowed 'Trans proline' 0 N--CA 1.531 3.735 1 C-N-CA 126.214 4.609 . . . . 0.0 114.701 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.96 -22.59 3.6 Favored Glycine 0 C--N 1.318 -0.436 0 O-C-N 120.818 -1.176 . . . . 0.0 110.712 -169.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -114.65 167.62 10.59 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.895 -0.768 . . . . 0.0 111.106 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -159.86 177.66 10.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.223 1.011 . . . . 0.0 111.779 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.9 159.66 30.56 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -170.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.3 -0.08 2.61 Favored 'Trans proline' 0 N--CA 1.53 3.631 1 C-N-CA 125.985 4.457 . . . . 0.0 116.3 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.37 18.87 2.75 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.274 -0.891 . . . . 0.0 111.346 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 49.83 10.56 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.791 0.805 . . . . 0.0 111.251 -171.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.81 -10.67 21.54 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -104.81 163.84 12.21 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.349 -0.844 . . . . 0.0 110.936 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.42 137.88 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 111.014 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 . . . . . 0 C--N 1.32 -0.705 0 CA-C-O 121.547 0.689 . . . . 0.0 111.07 171.603 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 123.191 1.472 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 30.25 89.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 126.142 1.777 . . . . 0.0 114.061 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -106.28 -130.62 0.29 Allowed 'General case' 0 C--O 1.25 1.092 0 O-C-N 121.915 -0.49 . . . . 0.0 110.163 169.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.2 -39.36 10.13 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.889 -1.132 . . . . 0.0 110.571 -169.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.62 42.41 1.18 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.402 171.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.19 117.42 0.98 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.421 -0.799 . . . . 0.0 111.552 169.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 40.93 75.77 0.08 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.363 0.602 . . . . 0.0 111.378 -170.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.45 -96.45 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.247 0.619 . . . . 0.0 111.189 -174.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -166.3 32.21 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.339 1.066 . . . . 0.0 110.728 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -8.81 8.26 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.708 -0.62 . . . . 0.0 112.438 -173.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.39 172.3 34.77 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-O 122.313 0.952 . . . . 0.0 112.271 -170.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -105.91 -177.99 3.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.739 0.781 . . . . 0.0 111.149 -171.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.97 139.97 45.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.69 0.757 . . . . 0.0 111.848 -170.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -128.0 68.62 1.33 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.358 1.075 . . . . 0.0 110.347 169.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.18 163.28 0.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.331 1.062 . . . . 0.0 111.526 -170.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -145.31 -177.04 5.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.473 0.654 . . . . 0.0 110.665 -170.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -170.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.61 29.42 0.19 Allowed Glycine 0 C--N 1.317 -0.521 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.95 -160.59 0.06 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 110.749 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.2 163.35 40.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.583 1.183 . . . . 0.0 111.979 170.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 p -124.55 -179.01 4.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.668 170.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -127.76 128.81 45.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.236 1.017 . . . . 0.0 112.12 -170.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 p -103.75 76.34 1.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.99 0.9 . . . . 0.0 109.429 169.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.3 m -70.27 152.89 43.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.596 1.189 . . . . 0.0 112.613 -168.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -59.33 152.65 52.62 Favored Pre-proline 0 CA--C 1.51 -0.584 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.472 170.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -61.95 118.26 5.13 Favored 'Trans proline' 0 N--CA 1.533 3.804 1 C-N-CA 126.038 4.492 . . . . 0.0 114.514 -174.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.59 21.91 8.02 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.682 -1.261 . . . . 0.0 111.796 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -138.81 151.42 47.03 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.499 -1.001 . . . . 0.0 111.18 170.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.1 171.9 19.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.32 1.057 . . . . 0.0 112.005 -172.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.58 161.07 25.01 Favored Glycine 0 N--CA 1.46 0.269 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -170.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -43.96 -52.3 5.65 Favored 'Trans proline' 0 N--CA 1.528 3.529 1 C-N-CA 126.309 4.672 . . . . 0.0 114.838 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -100.38 19.97 15.69 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.279 0.561 . . . . 0.0 111.551 172.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m 46.38 40.67 8.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.029 0.918 . . . . 0.0 110.678 -168.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.02 20.49 4.22 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.899 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -133.44 141.4 47.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.907 0.861 . . . . 0.0 110.749 170.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.27 138.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.422 0.629 . . . . 0.0 110.459 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 . . . . . 0 C--N 1.319 -0.737 0 CA-C-O 121.779 0.8 . . . . 0.0 111.566 -174.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.432 ' CB ' ' CG ' ' A' ' 17' ' ' GLU . 93.8 p . . . . . 0 C--O 1.242 0.674 0 CA-C-O 121.009 0.433 . . . . 0.0 111.62 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.6 m -87.1 143.45 27.31 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.264 -0.897 . . . . 0.0 111.57 -169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.69 -163.48 1.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.496 0.665 . . . . 0.0 110.903 171.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.12 -54.4 10.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.255 1.026 . . . . 0.0 111.057 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -99.3 68.56 1.64 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 170.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.01 0.433 . . . . 0.0 112.139 171.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 m -122.63 46.69 2.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.518 0.675 . . . . 0.0 111.359 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m 66.03 26.09 10.86 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.612 -0.68 . . . . 0.0 111.242 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt 47.74 35.88 5.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.031 0.92 . . . . 0.0 111.0 -173.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -133.24 30.1 3.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.303 0.573 . . . . 0.0 111.698 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.78 164.26 30.85 Favored Glycine 0 N--CA 1.462 0.388 0 CA-C-O 122.014 0.785 . . . . 0.0 111.19 173.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -99.99 150.03 22.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.945 0.878 . . . . 0.0 111.325 -170.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -72.96 140.67 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.15 0.976 . . . . 0.0 111.81 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mt -131.86 71.06 1.46 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.918 0.866 . . . . 0.0 111.001 170.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' CG ' ' CB ' ' A' ' 3' ' ' SER . 12.7 mp0 -63.9 152.86 38.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.042 0.925 . . . . 0.0 110.958 -171.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -139.63 -171.27 3.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.43 0.633 . . . . 0.0 110.76 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.17 102.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.838 0.828 . . . . 0.0 110.885 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.13 36.64 92.15 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 171.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 178.81 -167.74 0.08 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.899 0.857 . . . . 0.0 111.101 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.15 170.64 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.539 1.161 . . . . 0.0 112.378 170.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -132.95 -171.17 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.627 170.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 m -127.64 150.85 49.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.575 1.178 . . . . 0.0 111.787 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -109.19 78.59 1.15 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.036 169.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.9 m -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.81 0.814 . . . . 0.0 111.67 -170.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -51.68 158.48 1.56 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 121.867 0.841 . . . . 0.0 111.279 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -57.47 107.18 0.28 Allowed 'Trans proline' 0 N--CA 1.532 3.744 1 C-N-CA 126.479 4.786 . . . . 0.0 114.741 175.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.13 -17.87 5.08 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.805 -1.184 . . . . 0.0 112.305 -173.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.07 169.89 14.17 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.364 -1.08 . . . . 0.0 110.996 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' CE1' ' CB ' ' A' ' 37' ' ' TYR . 26.6 p90 -164.04 177.93 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.269 1.033 . . . . 0.0 112.033 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.84 152.54 25.68 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -170.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -44.8 -36.02 10.26 Favored 'Trans proline' 0 N--CA 1.528 3.525 1 C-N-CA 126.436 4.757 . . . . 0.0 115.117 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.61 20.55 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.892 -0.505 . . . . 0.0 111.306 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 47.53 42.02 14.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.231 1.015 . . . . 0.0 110.618 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -84.36 -11.35 56.46 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.529 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CB ' ' CE1' ' A' ' 31' ' ' TYR . 51.9 m-85 -111.49 155.92 22.49 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.325 -0.86 . . . . 0.0 110.689 175.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -126.81 143.19 41.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.027 0.917 . . . . 0.0 111.02 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 121.794 0.807 . . . . 0.0 110.935 171.191 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 122.786 1.279 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.465 ' CB ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -76.09 137.31 40.07 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.791 -171.212 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.98 125.05 34.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.182 -170.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t70 30.24 -85.77 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.019 1.728 . . . . 0.0 113.926 -171.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.1 mtt -80.1 24.49 0.42 Allowed 'General case' 0 C--O 1.253 1.272 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -168.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 p 55.07 -163.78 0.13 Allowed 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.655 -1.278 . . . . 0.0 112.613 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.59 80.47 4.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.49 0.662 . . . . 0.0 111.295 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m 46.49 34.46 2.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.434 0.635 . . . . 0.0 111.027 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 58.37 36.98 25.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.739 0.781 . . . . 0.0 110.983 171.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -137.97 22.35 2.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.165 0.507 . . . . 0.0 111.739 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.64 155.96 13.84 Favored Glycine 0 C--N 1.32 -0.313 0 CA-C-O 122.326 0.959 . . . . 0.0 111.759 -171.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.11 121.2 42.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.782 0.801 . . . . 0.0 111.861 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' CB ' ' CD2' ' A' ' 22' ' ' TYR . 20.1 m -73.53 136.75 44.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 123.025 1.393 . . . . 0.0 111.57 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -134.66 111.02 9.66 Favored 'General case' 0 C--O 1.258 1.516 0 C-N-CA 123.888 0.875 . . . . 0.0 112.556 -166.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.3 145.39 29.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 127.056 3.313 . . . . 0.0 115.827 -166.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -120.36 -160.96 0.86 Allowed 'General case' 0 C--O 1.246 0.911 0 C-N-CA 127.256 2.222 . . . . 0.0 110.693 -163.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -11.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -171.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.38 40.43 0.09 OUTLIER Glycine 0 C--O 1.243 0.663 0 CA-C-N 116.52 -0.309 . . . . 0.0 112.628 170.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.17 143.31 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 O-C-N 121.512 -0.993 . . . . 0.0 111.262 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' CD2' ' CB ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -106.37 165.04 11.55 Favored 'General case' 0 C--N 1.356 0.856 1 CA-C-O 129.494 4.473 . . . . 0.0 115.073 170.368 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -121.83 -165.05 1.21 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 111.551 -2.568 . . . . 0.0 111.062 -167.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.4 m -123.85 129.87 51.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.79 1.281 . . . . 0.0 113.509 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -109.26 84.98 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.089 0.947 . . . . 0.0 110.399 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.29 128.5 37.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.437 1.113 . . . . 0.0 111.384 -170.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -43.63 160.28 0.22 Allowed Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 122.228 1.013 . . . . 0.0 111.697 170.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -76.64 26.08 0.44 Allowed 'Trans proline' 0 N--CA 1.533 3.832 1 C-N-CA 126.684 4.923 . . . . 0.0 116.905 -177.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.91 16.22 3.5 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 121.37 -0.831 . . . . 0.0 111.485 168.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -139.53 170.14 16.46 Favored 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.55 -0.971 . . . . 0.0 111.096 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -164.43 171.39 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.936 1.35 . . . . 0.0 112.512 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.3 148.44 23.12 Favored Glycine 0 N--CA 1.462 0.38 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -43.68 -26.13 1.11 Allowed 'Trans proline' 0 N--CA 1.53 3.635 1 C-N-CA 126.148 4.565 . . . . 0.0 115.605 -177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.53 20.37 8.69 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.548 -0.72 . . . . 0.0 111.029 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 44.45 53.01 7.22 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.951 0.882 . . . . 0.0 110.677 -169.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.36 4.62 41.68 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -116.16 136.21 53.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.215 -0.928 . . . . 0.0 110.74 171.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 137.06 41.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.415 0.626 . . . . 0.0 110.692 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 121.528 0.68 . . . . 0.0 110.885 -179.842 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.242 0.683 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 134.98 47.19 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.199 -0.938 . . . . 0.0 112.053 -166.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -136.75 -109.78 0.19 Allowed 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.714 169.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -109.08 -47.55 3.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 122.118 0.961 . . . . 0.0 109.836 -170.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.49 37.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.137 170.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -35.01 110.79 0.1 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.723 0.773 . . . . 0.0 112.883 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.5 m 64.78 41.81 4.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.384 0.611 . . . . 0.0 111.45 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 m 53.04 35.88 20.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 111.53 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.06 39.33 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.022 0.915 . . . . 0.0 111.345 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.42 ' C ' ' CD2' ' A' ' 27' ' ' TYR . 1.1 mt-30 -136.33 23.14 3.22 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.67 -0.644 . . . . 0.0 111.765 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.483 ' N ' ' CE2' ' A' ' 27' ' ' TYR . . . 169.65 159.61 15.87 Favored Glycine 0 N--CA 1.461 0.356 0 CA-C-O 121.995 0.775 . . . . 0.0 111.382 -171.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -102.8 141.0 36.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.715 0.769 . . . . 0.0 111.196 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.49 142.02 57.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.733 1.254 . . . . 0.0 110.729 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.8 mt -120.73 67.36 0.85 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.527 1.156 . . . . 0.0 109.757 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.34 126.06 19.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.19 0.995 . . . . 0.0 111.751 -169.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 p -105.93 -164.0 0.98 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.644 -0.66 . . . . 0.0 110.793 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -36.94 -90.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 124.729 1.212 . . . . 0.0 113.229 -175.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.98 50.35 0.78 Allowed Glycine 0 C--N 1.316 -0.577 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 171.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.96 -166.64 0.43 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.932 0.872 . . . . 0.0 111.158 170.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.35 174.4 12.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.454 1.121 . . . . 0.0 112.31 170.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 p -137.9 158.43 44.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.015 170.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.3 134.09 42.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.169 0.985 . . . . 0.0 111.794 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.2 p -104.8 81.64 1.78 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.997 0.903 . . . . 0.0 110.59 169.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.9 127.5 31.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.94 0.876 . . . . 0.0 111.807 -170.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CE2' ' N ' ' A' ' 13' ' ' GLY . 34.0 m-85 -52.69 155.31 4.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 122.036 0.922 . . . . 0.0 111.966 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -52.41 104.66 0.1 OUTLIER 'Trans proline' 0 N--CA 1.529 3.611 1 C-N-CA 126.748 4.966 . . . . 0.0 115.15 174.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' C ' ' CD ' ' A' ' 39' ' ' ARG . . . 136.09 -21.24 3.52 Favored Glycine 0 C--O 1.24 0.494 0 O-C-N 120.837 -1.165 . . . . 0.0 111.603 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -132.36 166.65 21.47 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.432 -1.04 . . . . 0.0 111.378 -169.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -162.04 176.12 11.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.078 0.942 . . . . 0.0 111.649 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.02 155.12 26.98 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -171.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.27 -12.61 10.71 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.085 4.523 . . . . 0.0 115.816 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -126.76 19.07 7.27 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.278 -0.889 . . . . 0.0 111.311 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m 41.75 45.63 3.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.931 0.872 . . . . 0.0 111.102 -169.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -95.96 -5.45 41.27 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -173.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -106.14 155.49 19.39 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.278 -0.889 . . . . 0.0 110.761 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -125.49 141.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.192 0.996 . . . . 0.0 111.411 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' CD ' ' C ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.301 171.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--O 1.244 0.815 0 CA-C-O 120.724 0.297 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.78 135.45 16.26 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.847 -1.158 . . . . 0.0 111.992 -167.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -110.58 -155.22 0.56 Allowed 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.034 170.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -58.94 5.32 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.443 1.116 . . . . 0.0 111.588 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.0 35.42 0.98 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 112.267 -171.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 134.9 57.25 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.17 -0.956 . . . . 0.0 111.192 170.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.21 37.63 4.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.2 0.524 . . . . 0.0 111.282 -171.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.92 -164.85 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.334 0.588 . . . . 0.0 110.711 -172.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -96.14 47.45 1.09 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.56 1.172 . . . . 0.0 110.727 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -116.47 -34.42 4.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.628 0.728 . . . . 0.0 111.725 171.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.4 156.44 25.18 Favored Glycine 0 N--CA 1.463 0.473 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.92 159.23 16.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.769 1.271 . . . . 0.0 112.347 -170.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 139.63 32.57 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.014 0.911 . . . . 0.0 111.52 -170.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.78 78.96 1.86 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 170.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -66.54 145.07 56.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.306 1.05 . . . . 0.0 110.7 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 p -146.81 -170.64 3.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.868 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.7 mt -27.63 -93.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 125.571 1.548 . . . . 0.0 113.691 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.62 47.64 1.02 Allowed Glycine 0 C--N 1.317 -0.511 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.599 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.07 176.23 0.14 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.586 0.708 . . . . 0.0 110.985 171.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -127.85 177.29 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.182 0.992 . . . . 0.0 112.261 171.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.92 -167.33 2.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.748 0.785 . . . . 0.0 111.366 -175.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.8 m -134.4 145.93 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.918 0.866 . . . . 0.0 111.068 169.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.8 p -112.04 78.89 1.16 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 110.518 169.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.7 121.44 7.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.552 0.691 . . . . 0.0 110.762 -175.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -53.37 168.67 0.36 Allowed Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 122.23 1.014 . . . . 0.0 111.147 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -78.52 29.11 0.46 Allowed 'Trans proline' 0 N--CA 1.529 3.577 1 C-N-CA 127.956 5.77 . . . . 0.0 116.074 -174.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.86 5.64 4.38 Favored Glycine 0 C--O 1.24 0.523 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 170.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -139.02 -172.12 3.25 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.418 -1.048 . . . . 0.0 111.27 -169.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 178.69 176.9 0.49 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.94 0.876 . . . . 0.0 111.28 170.319 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.62 155.89 26.48 Favored Glycine 0 C--N 1.32 -0.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -170.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -44.1 -37.95 10.18 Favored 'Trans proline' 0 N--CA 1.528 3.517 1 C-N-CA 126.237 4.625 . . . . 0.0 114.908 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -114.28 20.98 15.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.732 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.87 40.35 8.92 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.347 -0.845 . . . . 0.0 110.771 -170.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.51 -9.5 59.39 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.871 -0.518 . . . . 0.0 112.28 -174.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -119.81 136.08 54.61 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.41 -0.806 . . . . 0.0 110.464 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.6 146.87 12.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.555 0.693 . . . . 0.0 110.736 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.766 0.793 . . . . 0.0 111.264 -170.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 123.335 1.54 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t 40.7 80.92 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.996 1.318 . . . . 0.0 113.69 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.19 -164.09 0.98 Allowed 'General case' 0 C--N 1.318 -0.796 0 O-C-N 121.679 -0.638 . . . . 0.0 110.241 168.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.55 -62.42 0.88 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.46 1.124 . . . . 0.0 112.62 -170.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -118.54 60.74 0.79 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.59 1.662 . . . . 0.0 110.078 -178.682 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -37.98 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.163 -0.96 . . . . 0.0 112.859 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.12 68.63 0.67 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.701 0.762 . . . . 0.0 110.573 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p 56.85 -157.09 0.28 Allowed 'General case' 0 C--O 1.241 0.651 0 O-C-N 121.864 -0.522 . . . . 0.0 109.841 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -116.44 50.98 1.0 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.582 1.182 . . . . 0.0 110.412 170.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -133.4 13.38 4.16 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.205 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.66 161.98 34.3 Favored Glycine 0 C--N 1.319 -0.366 0 O-C-N 121.4 -0.812 . . . . 0.0 111.64 -170.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.12 -179.32 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.068 0.937 . . . . 0.0 111.375 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 120.87 42.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.488 0.661 . . . . 0.0 110.484 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.56 68.91 1.86 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.535 1.159 . . . . 0.0 110.423 170.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 121.46 14.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.088 0.947 . . . . 0.0 111.746 -169.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 p -98.36 -169.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.049 0.928 . . . . 0.0 111.32 -174.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.76 2.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -170.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.99 30.02 0.12 Allowed Glycine 0 C--N 1.319 -0.362 0 O-C-N 121.162 -0.961 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.479 ' ND2' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 178.95 -168.88 0.09 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.818 -0.813 . . . . 0.0 110.636 -170.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -148.86 168.55 22.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.491 1.138 . . . . 0.0 112.432 168.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.9 p -135.58 -173.17 3.28 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.721 169.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -134.53 128.18 32.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.274 1.035 . . . . 0.0 112.247 -170.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -100.71 90.34 4.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.604 0.716 . . . . 0.0 110.179 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -56.53 127.86 33.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.141 0.972 . . . . 0.0 111.303 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -47.32 163.31 0.26 Allowed Pre-proline 0 C--N 1.321 -0.644 0 CA-C-O 121.958 0.885 . . . . 0.0 111.315 171.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -67.82 109.84 1.99 Allowed 'Trans proline' 0 N--CA 1.531 3.718 1 C-N-CA 126.49 4.793 . . . . 0.0 114.51 -174.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.12 -8.57 31.22 Favored Glycine 0 C--O 1.24 0.493 0 O-C-N 120.804 -1.185 . . . . 0.0 111.509 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.83 151.19 28.12 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.463 -1.022 . . . . 0.0 110.687 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.76 -174.42 4.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.117 0.96 . . . . 0.0 111.64 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.31 151.35 27.36 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -39.25 -29.38 0.21 Allowed 'Trans proline' 0 N--CA 1.528 3.545 1 C-N-CA 126.321 4.681 . . . . 0.0 115.215 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -133.33 23.24 4.08 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.621 -0.674 . . . . 0.0 111.474 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.35 57.76 5.52 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.215 -0.928 . . . . 0.0 110.542 -170.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.04 -3.76 25.52 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -125.26 155.76 39.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.928 0.871 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -111.04 131.51 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.677 0.751 . . . . 0.0 110.636 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 121.978 0.894 . . . . 0.0 113.157 -177.009 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.439 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 17.6 p . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.901 0.858 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 t -109.16 132.52 54.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.211 1.005 . . . . 0.0 110.331 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -133.48 -174.87 3.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.951 0.881 . . . . 0.0 110.751 -169.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.25 -53.63 33.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.253 1.025 . . . . 0.0 110.709 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -126.97 74.91 1.53 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 124.543 2.116 . . . . 0.0 110.173 174.084 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -73.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 120.644 -1.285 . . . . 0.0 111.159 170.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.9 m -112.86 51.1 0.84 Allowed 'General case' 0 C--O 1.241 0.64 0 O-C-N 121.363 -0.836 . . . . 0.0 111.632 -171.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.72 27.29 16.04 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.186 -0.947 . . . . 0.0 111.849 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? 48.65 40.5 15.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.923 0.868 . . . . 0.0 111.118 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.33 24.74 4.49 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.759 0.79 . . . . 0.0 111.125 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.52 160.66 15.35 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -167.27 1.48 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.996 -0.708 . . . . 0.0 110.804 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 118.34 30.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.419 0.628 . . . . 0.0 110.361 -175.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -95.6 66.48 2.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.748 1.261 . . . . 0.0 110.467 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.31 123.96 18.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.977 -170.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -97.4 -170.08 1.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.66 0.743 . . . . 0.0 110.955 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.76 4.2 1.36 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -170.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.52 27.68 0.2 Allowed Glycine 0 N--CA 1.462 0.397 0 O-C-N 121.282 -0.886 . . . . 0.0 111.634 171.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.47 ' ND2' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 177.14 -167.12 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.902 -0.763 . . . . 0.0 110.507 -171.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.47 ' N ' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -148.09 174.5 11.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.746 1.26 . . . . 0.0 112.191 167.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 -164.37 1.58 Allowed 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.356 168.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.6 132.91 53.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.164 0.983 . . . . 0.0 111.766 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.4 p -105.07 87.33 2.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.617 0.722 . . . . 0.0 110.253 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -51.93 129.84 27.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.1 0.952 . . . . 0.0 111.583 -170.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -54.91 160.97 2.57 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.822 0.82 . . . . 0.0 110.658 172.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -62.25 100.02 0.21 Allowed 'Trans proline' 0 N--CA 1.531 3.686 1 C-N-CA 126.045 4.497 . . . . 0.0 114.375 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.65 -2.34 5.67 Favored Glycine 0 C--O 1.242 0.635 0 O-C-N 120.977 -1.077 . . . . 0.0 112.803 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -138.8 149.37 44.88 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.392 1.096 . . . . 0.0 111.521 -169.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -153.86 177.97 10.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.895 0.855 . . . . 0.0 111.404 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.7 155.66 31.7 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -170.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.36 -28.53 8.45 Favored 'Trans proline' 0 N--CA 1.526 3.422 1 C-N-CA 126.223 4.615 . . . . 0.0 114.759 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -118.1 18.52 13.83 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 112.275 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 45.61 37.4 3.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.791 0.805 . . . . 0.0 111.033 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -97.65 19.95 12.69 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.896 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -137.48 153.37 50.07 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.199 -0.938 . . . . 0.0 111.196 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.4 t -87.52 144.08 9.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.856 0.836 . . . . 0.0 110.391 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.848 0 CA-C-O 121.929 0.871 . . . . 0.0 112.661 -170.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.242 0.664 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t -173.15 119.98 0.34 Allowed 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.491 -0.756 . . . . 0.0 110.796 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -134.97 -108.2 0.22 Allowed 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.696 -0.628 . . . . 0.0 112.375 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -104.76 -55.1 2.39 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.364 1.078 . . . . 0.0 110.789 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.21 34.93 0.92 Allowed 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.637 -0.665 . . . . 0.0 112.205 170.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.43 100.39 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.48 -0.762 . . . . 0.0 111.177 170.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.7 m 57.95 61.9 2.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.857 0.836 . . . . 0.0 111.664 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.1 t 59.0 -90.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.697 -174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.32 36.25 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.508 1.146 . . . . 0.0 110.887 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -132.39 10.92 4.49 Favored 'General case' 0 C--O 1.242 0.692 0 O-C-N 121.652 -0.655 . . . . 0.0 112.685 -170.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.05 166.04 35.52 Favored Glycine 0 N--CA 1.462 0.373 0 CA-C-O 122.01 0.783 . . . . 0.0 111.981 -170.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.36 -174.37 2.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 110.872 -172.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 m -121.78 116.32 24.26 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.627 0.727 . . . . 0.0 111.531 -171.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.46 79.32 1.19 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.945 0.878 . . . . 0.0 110.829 171.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.68 137.8 48.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.77 1.272 . . . . 0.0 111.743 -170.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.3 p -112.0 -169.72 1.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.655 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mp -16.32 -96.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.059 1.744 . . . . 0.0 113.633 170.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.43 52.62 0.72 Allowed Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 170.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.15 -160.98 0.34 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.028 -0.69 . . . . 0.0 110.863 173.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.19 169.48 20.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 123.454 1.597 . . . . 0.0 113.708 169.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -120.53 -166.02 1.27 Allowed 'General case' 0 C--O 1.244 0.776 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.093 168.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 m -135.46 151.82 50.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.682 1.23 . . . . 0.0 112.329 170.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.3 p -112.09 82.61 1.66 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.806 168.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.4 m -51.82 134.41 31.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.942 0.877 . . . . 0.0 111.487 -170.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -56.05 158.06 7.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.869 0.842 . . . . 0.0 110.932 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.01 96.06 0.77 Allowed 'Trans proline' 0 N--CA 1.53 3.63 1 C-N-CA 126.2 4.6 . . . . 0.0 114.743 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.4 -23.59 2.2 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 120.989 -1.069 . . . . 0.0 111.365 -169.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -123.79 159.69 28.97 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.611 -0.935 . . . . 0.0 110.641 -171.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -155.98 179.75 8.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.91 0.862 . . . . 0.0 111.331 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.11 156.26 28.04 Favored Glycine 0 C--N 1.319 -0.369 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.98 -32.52 4.65 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.222 4.614 . . . . 0.0 114.975 175.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -117.31 19.07 14.26 Favored 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.882 -0.511 . . . . 0.0 112.074 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m 45.37 35.66 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.314 -0.866 . . . . 0.0 111.146 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -17.17 39.96 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -170.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.89 167.43 10.09 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.42 -0.8 . . . . 0.0 110.763 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -124.6 149.69 29.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.89 0.853 . . . . 0.0 111.024 -172.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 121.425 0.631 . . . . 0.0 111.034 177.07 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.4 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 21.0 p . . . . . 0 CA--C 1.511 -0.547 0 CA-C-O 121.381 0.61 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.9 t -96.88 54.53 1.29 Allowed 'General case' 0 C--O 1.243 0.762 0 CA-C-O 122.373 1.082 . . . . 0.0 113.025 -168.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 7' ' ' MET . 7.2 tt0 -138.95 177.33 7.97 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.922 -1.111 . . . . 0.0 110.942 170.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 36.17 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 125.72 1.608 . . . . 0.0 113.387 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 5' ' ' GLN . 2.1 ttm -93.69 46.53 1.19 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.41 90.62 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.837 0.827 . . . . 0.0 112.25 169.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 m 41.6 45.91 3.0 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 123.433 0.693 . . . . 0.0 112.35 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m 64.04 32.19 13.05 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.515 -0.74 . . . . 0.0 111.011 171.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.46 47.23 14.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.69 0.757 . . . . 0.0 111.595 -176.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -137.73 20.26 2.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.296 0.569 . . . . 0.0 112.021 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.45 -178.07 46.39 Favored Glycine 0 C--N 1.32 -0.335 0 O-C-N 121.433 -0.792 . . . . 0.0 111.353 -171.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.13 172.19 7.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.51 107.6 10.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.799 0.809 . . . . 0.0 110.823 -170.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.0 mt -102.3 91.23 4.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.51 0.671 . . . . 0.0 111.221 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.4 160.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.456 1.122 . . . . 0.0 111.035 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.2 p -159.08 -171.83 3.53 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.68 0.752 . . . . 0.0 110.704 -169.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.84 116.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.891 0.853 . . . . 0.0 111.322 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.91 22.39 57.43 Favored Glycine 0 C--O 1.24 0.516 0 O-C-N 121.894 -0.504 . . . . 0.0 112.112 171.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.94 -177.42 0.1 Allowed 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.623 -0.928 . . . . 0.0 111.057 -171.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.4 ' CE2' ' O ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -125.19 -174.92 3.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.822 0.82 . . . . 0.0 110.709 166.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.6 p -136.28 -175.25 3.93 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.956 -0.465 . . . . 0.0 110.717 170.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.2 m -131.89 129.43 40.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.35 1.072 . . . . 0.0 112.387 -171.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -104.98 81.98 1.8 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.931 0.872 . . . . 0.0 109.607 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.0 m -50.52 146.6 5.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 112.333 -169.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -62.58 166.17 7.86 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.944 0.878 . . . . 0.0 110.876 170.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -65.13 103.27 0.49 Allowed 'Trans proline' 0 N--CA 1.53 3.654 1 C-N-CA 126.736 4.958 . . . . 0.0 114.469 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.12 -18.64 5.0 Favored Glycine 0 C--O 1.241 0.561 0 O-C-N 120.854 -1.154 . . . . 0.0 112.324 -171.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -128.68 164.32 23.19 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.288 -1.125 . . . . 0.0 110.803 -174.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.87 160.98 14.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.115 0.96 . . . . 0.0 111.494 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.62 154.62 13.96 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -171.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -44.93 -32.05 5.99 Favored 'Trans proline' 0 N--CA 1.529 3.617 1 C-N-CA 126.282 4.655 . . . . 0.0 115.012 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -117.76 18.55 14.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.309 0.576 . . . . 0.0 112.045 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.3 m 46.74 39.51 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.915 0.865 . . . . 0.0 111.454 -171.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -9.66 48.21 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -102.95 134.83 45.73 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.295 -0.878 . . . . 0.0 110.775 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.94 138.55 32.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.992 0.901 . . . . 0.0 110.991 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 . . . . . 0 C--N 1.321 -0.65 0 CA-C-O 121.732 0.777 . . . . 0.0 110.988 -172.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 CA--C 1.515 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m 28.25 80.53 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.985 1.314 . . . . 0.0 113.023 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -100.4 -165.59 1.23 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.002 0.906 . . . . 0.0 110.876 176.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -54.33 22.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.293 1.044 . . . . 0.0 110.375 -176.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt -111.86 61.75 0.62 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.164 170.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -31.45 -87.98 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 124.718 1.207 . . . . 0.0 113.354 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 67.4 1.28 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.656 0.741 . . . . 0.0 110.544 -174.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 t 61.01 -85.01 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.193 0.521 . . . . 0.0 110.588 -170.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 40.84 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.608 1.194 . . . . 0.0 110.687 169.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -120.23 -18.6 7.96 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.592 -173.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.16 170.5 36.25 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-O 122.195 0.886 . . . . 0.0 111.677 -176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -110.38 165.3 11.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.515 1.15 . . . . 0.0 111.736 -170.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.85 143.84 31.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 123.003 1.383 . . . . 0.0 112.241 -170.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mt -130.42 71.34 1.46 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.463 1.125 . . . . 0.0 109.866 169.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 137.47 31.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.137 1.446 . . . . 0.0 113.176 -167.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -115.67 -170.58 1.81 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.091 0.948 . . . . 0.0 111.502 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mm -69.9 -5.03 4.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.48 24.21 0.24 Allowed Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.71 -0.619 . . . . 0.0 111.624 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.11 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.798 -0.825 . . . . 0.0 110.169 -170.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.69 164.27 29.97 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.682 1.229 . . . . 0.0 111.678 167.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -117.43 177.95 4.56 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.22 168.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -130.71 131.17 44.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.081 0.943 . . . . 0.0 111.612 -171.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -96.77 84.36 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.193 0.997 . . . . 0.0 109.946 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.4 m -62.37 124.98 22.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.062 0.934 . . . . 0.0 110.988 -170.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -48.32 161.57 0.38 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 122.017 0.913 . . . . 0.0 110.905 171.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.2 110.6 0.81 Allowed 'Trans proline' 0 N--CA 1.529 3.616 1 C-N-CA 126.266 4.644 . . . . 0.0 114.469 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.27 -4.64 6.77 Favored Glycine 0 C--O 1.241 0.593 0 O-C-N 120.925 -1.109 . . . . 0.0 112.379 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -132.91 169.08 17.29 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.219 -1.165 . . . . 0.0 111.051 -172.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -166.75 177.55 6.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.066 0.936 . . . . 0.0 111.337 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.99 151.12 27.56 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -170.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -44.08 -44.37 12.4 Favored 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.276 4.651 . . . . 0.0 114.912 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -99.95 20.31 14.59 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.809 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 44.11 31.61 0.56 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.256 -0.903 . . . . 0.0 110.418 -168.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.26 17.33 6.15 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.046 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -131.4 116.58 17.72 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.292 -0.88 . . . . 0.0 110.805 170.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -94.6 153.57 3.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.523 0.678 . . . . 0.0 110.713 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 . . . . . 0 C--O 1.245 0.82 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.993 170.153 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 p . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 122.375 1.083 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t -79.48 146.29 32.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.193 1.473 . . . . 0.0 114.128 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.95 -178.86 5.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.285 1.04 . . . . 0.0 109.961 167.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 -170.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -124.95 53.43 1.49 Allowed 'General case' 0 C--O 1.243 0.751 0 CA-C-O 121.389 0.614 . . . . 0.0 112.358 -175.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -63.73 143.39 57.88 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.188 0.994 . . . . 0.0 111.103 169.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' SER . 27.6 m 89.93 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 125.416 1.487 . . . . 0.0 112.515 169.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 1.1 m 144.29 11.25 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 125.196 1.398 . . . . 0.0 114.593 -167.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 73.26 12.67 4.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.361 1.437 . . . . 0.0 111.636 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.404 ' CB ' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -135.34 32.9 3.08 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.366 -0.834 . . . . 0.0 110.668 168.82 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.27 147.63 10.47 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-O 122.23 0.906 . . . . 0.0 111.283 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -166.63 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.412 1.101 . . . . 0.0 111.55 -170.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 123.46 49.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.459 0.704 . . . . 0.0 111.076 -170.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 107.21 19.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.947 0.88 . . . . 0.0 111.835 170.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 108.91 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.4 1.095 . . . . 0.0 111.478 -167.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.9 p -95.06 -174.19 3.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.761 0.791 . . . . 0.0 111.225 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 mm -73.07 107.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.777 0.799 . . . . 0.0 111.092 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.23 68.79 Favored Glycine 0 C--N 1.32 -0.336 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.53 175.06 0.25 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.978 -0.719 . . . . 0.0 110.996 171.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -141.61 -177.79 5.34 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.125 0.964 . . . . 0.0 112.928 170.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -134.9 -163.77 1.42 Allowed 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.666 -0.646 . . . . 0.0 111.007 171.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.11 132.44 56.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.486 1.136 . . . . 0.0 111.847 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.4 p -110.13 84.94 2.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.873 0.844 . . . . 0.0 110.476 170.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -53.45 144.25 17.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.796 0.808 . . . . 0.0 111.397 -170.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -71.8 164.38 58.82 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 122.153 0.977 . . . . 0.0 111.136 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -61.14 97.01 0.12 Allowed 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.549 4.832 . . . . 0.0 114.363 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.85 -7.94 5.19 Favored Glycine 0 N--CA 1.463 0.488 0 O-C-N 120.998 -1.064 . . . . 0.0 112.982 -171.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.42 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 2.6 m-85 -138.15 140.41 39.85 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.503 -0.998 . . . . 0.0 111.312 -167.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -150.17 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.794 1.283 . . . . 0.0 112.486 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 148.25 18.35 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -42.47 -31.78 2.01 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.228 4.619 . . . . 0.0 115.01 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.57 20.94 12.28 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.637 -0.664 . . . . 0.0 111.496 -177.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.24 45.78 13.11 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.071 0.939 . . . . 0.0 110.258 -169.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.01 5.61 50.12 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.325 -172.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -131.94 156.14 46.7 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.196 -0.94 . . . . 0.0 111.43 170.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.01 140.42 17.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.49 0.662 . . . . 0.0 109.705 169.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 . . . . . 0 C--N 1.315 -0.919 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -168.211 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 121.301 0.572 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.99 134.77 13.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.737 1.256 . . . . 0.0 111.382 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -133.58 156.95 46.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.58 170.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -17.58 0.73 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 112.413 -171.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.86 -67.71 0.65 Allowed 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.32 0.581 . . . . 0.0 111.971 168.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 85.67 -157.03 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.816 0 O-C-N 119.996 -1.69 . . . . 0.0 110.05 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.78 78.83 7.52 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 121.509 -0.744 . . . . 0.0 112.491 -169.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m 52.71 30.11 8.37 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.55 -0.719 . . . . 0.0 112.057 -171.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt 49.23 34.84 6.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.615 1.198 . . . . 0.0 110.854 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -133.98 25.71 3.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.727 0.775 . . . . 0.0 110.825 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.43 157.86 14.23 Favored Glycine 0 C--N 1.32 -0.354 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -98.08 138.59 35.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.033 -171.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 134.91 53.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.963 0.887 . . . . 0.0 110.752 171.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt -113.92 83.81 1.93 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.383 1.087 . . . . 0.0 110.36 170.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -74.63 104.95 5.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.545 1.164 . . . . 0.0 111.169 -170.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 p -98.58 -169.88 1.86 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.41 1.1 . . . . 0.0 111.713 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.43 115.85 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.948 0.88 . . . . 0.0 111.069 171.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 28.23 60.57 Favored Glycine 0 N--CA 1.462 0.399 0 O-C-N 121.872 -0.518 . . . . 0.0 112.783 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 170.98 172.74 0.07 Allowed 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.985 -0.715 . . . . 0.0 110.775 170.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -127.2 -171.85 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.873 1.32 . . . . 0.0 112.613 170.69 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.3 p -135.44 -168.62 2.23 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.405 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.7 m -127.92 124.05 36.42 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.389 -0.819 . . . . 0.0 110.585 170.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -96.62 74.59 2.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.838 0.828 . . . . 0.0 110.662 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -54.0 137.77 38.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.675 0.75 . . . . 0.0 111.231 -170.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -46.11 158.9 0.35 Allowed Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.367 0.603 . . . . 0.0 110.051 170.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -86.02 48.7 2.11 Favored 'Trans proline' 0 N--CA 1.533 3.813 1 C-N-CA 126.153 4.569 . . . . 0.0 117.097 -172.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.37 22.15 0.22 Allowed Glycine 0 N--CA 1.465 0.57 0 O-C-N 121.123 -0.986 . . . . 0.0 111.598 166.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -138.54 168.95 18.67 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.67 -0.9 . . . . 0.0 111.271 -171.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -163.14 169.68 18.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.412 1.101 . . . . 0.0 112.552 -173.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.99 152.48 26.71 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -170.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -40.66 -26.69 0.25 Allowed 'Trans proline' 0 N--CA 1.53 3.645 1 C-N-CA 126.509 4.806 . . . . 0.0 115.629 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -125.19 21.63 8.0 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.487 -0.758 . . . . 0.0 111.851 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 46.23 13.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.001 0.905 . . . . 0.0 110.434 -170.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CD ' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -96.07 -18.51 20.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 -172.721 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' CD ' ' A' ' 36' ' ' GLU . 97.9 m-85 -102.12 118.81 37.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.775 0.798 . . . . 0.0 110.478 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -86.67 148.83 4.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.504 171.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 170.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 p . . . . . 0 CA--C 1.512 -0.511 0 CA-C-O 122.147 0.975 . . . . 0.0 112.935 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 85.49 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 124.941 1.296 . . . . 0.0 112.413 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.67 -159.34 0.73 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.331 170.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.76 -56.09 24.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.259 1.028 . . . . 0.0 110.823 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 ptp -83.8 12.38 6.11 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -172.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 16.82 -92.48 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.381 1.472 . . . . 0.0 113.651 -168.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.21 63.43 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.972 0.891 . . . . 0.0 110.935 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m 59.64 29.72 19.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.571 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 57.17 33.86 23.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.701 0.763 . . . . 0.0 110.95 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -134.53 -0.17 2.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -172.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.02 169.26 42.37 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -171.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.91 179.34 4.83 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.546 -0.973 . . . . 0.0 111.156 -170.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.4 t -110.52 114.47 27.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.657 0.741 . . . . 0.0 111.557 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.65 75.26 2.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.889 0.852 . . . . 0.0 110.726 170.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -69.25 148.98 49.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.108 0.956 . . . . 0.0 111.233 -170.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -144.13 179.8 6.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.234 -170.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mm -9.36 -101.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 114.077 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.2 34.01 5.15 Favored Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.676 -0.64 . . . . 0.0 111.924 177.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -169.46 2.25 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.777 -0.837 . . . . 0.0 111.017 170.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -136.35 170.54 15.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.073 0.939 . . . . 0.0 110.998 168.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -137.13 -176.11 4.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.759 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.6 m -125.29 141.95 51.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.226 1.012 . . . . 0.0 111.937 -173.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.8 p -104.9 82.57 1.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.033 0.92 . . . . 0.0 109.702 168.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.13 127.9 34.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.08 0.943 . . . . 0.0 111.88 -169.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -49.74 156.12 1.29 Allowed Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 121.874 0.845 . . . . 0.0 110.756 170.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -62.28 108.95 0.75 Allowed 'Trans proline' 0 N--CA 1.531 3.693 1 C-N-CA 126.479 4.786 . . . . 0.0 114.639 -174.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.69 -4.46 8.61 Favored Glycine 0 C--O 1.243 0.693 0 O-C-N 120.841 -1.162 . . . . 0.0 112.368 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -129.82 164.01 25.03 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.14 -1.212 . . . . 0.0 110.893 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.61 176.44 12.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.331 1.062 . . . . 0.0 112.216 -176.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.04 151.24 27.02 Favored Glycine 0 N--CA 1.46 0.3 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -170.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -44.39 -36.37 9.46 Favored 'Trans proline' 0 N--CA 1.528 3.518 1 C-N-CA 126.263 4.642 . . . . 0.0 114.961 175.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -108.86 18.58 20.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.142 0.496 . . . . 0.0 111.865 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 m 45.17 36.97 2.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.913 0.863 . . . . 0.0 110.789 -170.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.39 0.91 43.98 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -173.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -122.65 139.52 53.85 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.305 -0.872 . . . . 0.0 110.845 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.1 t -111.98 152.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.306 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.416 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 8.9 p . . . . . 0 C--O 1.244 0.77 0 CA-C-O 120.496 0.189 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.29 109.46 12.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.252 1.025 . . . . 0.0 111.077 -169.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.21 -176.81 4.07 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.146 0.974 . . . . 0.0 110.259 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -25.69 47.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.933 -169.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -71.98 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 111.7 167.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 t 63.94 -102.83 0.1 Allowed 'General case' 0 C--N 1.318 -0.789 0 O-C-N 120.132 -1.605 . . . . 0.0 110.437 -172.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.8 m -115.81 57.64 0.75 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 110.978 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.31 30.14 1.43 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.253 -0.904 . . . . 0.0 111.435 -170.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 53.73 48.91 20.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.788 0.804 . . . . 0.0 111.169 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.63 14.11 2.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.203 171.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.81 172.19 45.08 Favored Glycine 0 C--N 1.32 -0.344 0 CA-C-O 122.088 0.827 . . . . 0.0 111.816 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.1 138.19 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.009 0.909 . . . . 0.0 111.298 -171.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.2 t -76.39 128.15 34.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.628 0.728 . . . . 0.0 111.447 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mt -118.3 73.74 0.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.051 0.929 . . . . 0.0 110.518 171.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -45.88 133.79 8.29 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.351 0.66 . . . . 0.0 111.864 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 p -117.8 -166.5 1.21 Allowed 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.51 -0.744 . . . . 0.0 110.88 170.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.6 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -169.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.73 20.24 0.17 Allowed Glycine 0 N--CA 1.464 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.942 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 173.34 118.21 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.648 -0.913 . . . . 0.0 110.983 -172.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 3' ' ' SER . 10.4 p90 -81.06 168.39 18.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 122.61 1.195 . . . . 0.0 111.87 -175.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -138.21 143.17 40.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.855 -176.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -96.31 135.49 38.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.424 1.107 . . . . 0.0 112.115 -168.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 p -103.84 81.9 1.93 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.829 0.823 . . . . 0.0 110.365 169.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.88 136.27 40.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.249 1.023 . . . . 0.0 111.863 -170.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.61 162.88 53.33 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.947 170.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -54.92 125.12 18.07 Favored 'Trans proline' 0 N--CA 1.533 3.809 1 C-N-CA 126.286 4.657 . . . . 0.0 114.535 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.87 8.4 39.63 Favored Glycine 0 C--O 1.24 0.53 0 O-C-N 120.702 -1.249 . . . . 0.0 112.041 174.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -138.91 155.23 48.22 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.507 -0.996 . . . . 0.0 111.153 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -155.78 175.51 13.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.301 1.048 . . . . 0.0 111.714 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.98 161.14 28.59 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 -170.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.69 -2.19 4.99 Favored 'Trans proline' 0 N--CA 1.529 3.582 1 C-N-CA 126.053 4.502 . . . . 0.0 116.235 -176.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.12 21.82 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.19 -0.944 . . . . 0.0 111.196 170.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.26 52.91 11.52 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.303 -0.873 . . . . 0.0 110.715 -170.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -92.98 -31.59 14.84 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.407 0.623 . . . . 0.0 111.568 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -104.86 139.7 39.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.754 0.788 . . . . 0.0 110.784 -171.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -112.05 145.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.769 0.795 . . . . 0.0 111.299 -171.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.664 0.745 . . . . 0.0 111.268 171.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 121.069 0.462 . . . . 0.0 111.525 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.9 t -159.99 131.14 5.84 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 120.662 -1.274 . . . . 0.0 112.235 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.93 -169.49 1.53 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.856 0.836 . . . . 0.0 110.673 170.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.09 -51.18 70.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.506 -170.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.3 mtt -116.81 48.23 1.33 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.027 -174.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.44 123.09 4.54 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.207 1.004 . . . . 0.0 112.265 170.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 m 67.06 48.59 1.21 Allowed 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 168.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 74.3 8.33 4.57 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.24 -0.913 . . . . 0.0 112.439 170.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt 60.06 40.6 18.37 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.126 -0.984 . . . . 0.0 110.914 -170.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -137.75 20.83 2.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.589 0.709 . . . . 0.0 110.944 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.74 163.21 28.13 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -170.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.37 -173.39 2.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.234 1.016 . . . . 0.0 111.493 -170.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.96 124.23 51.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.427 0.632 . . . . 0.0 110.778 -174.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.33 115.76 30.74 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.779 -0.576 . . . . 0.0 111.393 169.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -102.98 134.48 46.36 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.836 1.303 . . . . 0.0 110.42 -169.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -134.19 -170.18 2.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.951 1.358 . . . . 0.0 112.399 -166.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.42 0.1 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -167.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.75 32.4 0.09 OUTLIER Glycine 0 N--CA 1.463 0.438 0 O-C-N 121.5 -0.75 . . . . 0.0 112.266 171.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.84 178.47 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.834 0.826 . . . . 0.0 110.648 -175.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.414 ' CG ' ' O ' ' A' ' 3' ' ' SER . 1.4 p90 -123.77 167.77 13.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 123.084 1.421 . . . . 0.0 113.439 169.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.0 p -117.67 -166.1 1.16 Allowed 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.709 167.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.2 m -114.72 148.21 38.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.422 1.106 . . . . 0.0 111.972 170.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.0 p -115.58 83.75 1.98 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.943 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -49.28 142.52 7.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.874 0.845 . . . . 0.0 111.899 -169.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -62.65 157.42 58.05 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 121.547 0.689 . . . . 0.0 110.464 172.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -57.45 102.27 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.69 1 C-N-CA 126.486 4.791 . . . . 0.0 114.795 -174.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.43 9.37 Favored Glycine 0 C--O 1.242 0.609 0 O-C-N 120.8 -1.187 . . . . 0.0 111.631 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -138.82 149.81 45.34 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.411 -1.052 . . . . 0.0 111.244 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.41 156.22 20.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.206 1.003 . . . . 0.0 111.62 -173.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.63 160.32 13.8 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -170.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -42.96 -31.23 2.16 Favored 'Trans proline' 0 N--CA 1.528 3.523 1 C-N-CA 126.309 4.673 . . . . 0.0 115.118 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -127.54 21.44 6.56 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 121.759 -0.588 . . . . 0.0 111.821 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.425 -0.797 . . . . 0.0 110.984 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -91.78 -24.81 19.3 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.749 -0.594 . . . . 0.0 112.055 -170.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -98.42 158.37 15.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.661 0.743 . . . . 0.0 110.981 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.4 t -125.48 142.77 41.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.011 0.91 . . . . 0.0 111.069 -171.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.754 0.787 . . . . 0.0 111.086 172.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 122.475 1.131 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -26.7 131.89 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 125.463 1.505 . . . . 0.0 113.22 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -137.62 -93.8 0.21 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.358 0.599 . . . . 0.0 112.31 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.04 -39.05 7.91 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.389 -0.819 . . . . 0.0 110.845 -170.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 ttm -120.32 53.02 1.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.65 0.738 . . . . 0.0 111.49 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.96 103.06 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.683 0.754 . . . . 0.0 111.774 169.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m 51.43 50.29 19.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.256 173.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m 67.45 23.86 8.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.224 0.535 . . . . 0.0 111.589 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 45.74 45.91 11.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.82 0.819 . . . . 0.0 110.986 -171.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -136.85 20.27 3.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.252 0.549 . . . . 0.0 111.812 -170.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.72 162.68 28.65 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-O 122.163 0.868 . . . . 0.0 111.653 -170.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.46 126.37 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.81 0.815 . . . . 0.0 111.247 -171.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.84 129.14 38.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 111.466 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -117.15 75.19 0.96 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.183 0.992 . . . . 0.0 110.58 170.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 127.94 34.91 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.553 1.168 . . . . 0.0 111.379 -170.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 p -104.62 -173.88 2.41 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.997 0.919 . . . . 0.0 110.767 171.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.02 115.94 8.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.72 0.771 . . . . 0.0 110.748 171.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.04 31.08 78.32 Favored Glycine 0 C--O 1.239 0.427 0 O-C-N 121.968 -0.458 . . . . 0.0 112.251 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 173.85 -179.21 0.09 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.844 -0.798 . . . . 0.0 110.968 170.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.21 178.32 7.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.86 1.314 . . . . 0.0 112.763 169.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -138.13 138.3 38.53 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.037 170.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 m -97.82 126.43 43.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.858 0.837 . . . . 0.0 111.146 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.9 p -96.92 81.7 3.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.885 0.85 . . . . 0.0 110.654 170.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.49 139.68 36.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.261 1.029 . . . . 0.0 111.409 -170.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -53.01 156.4 3.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 122.007 0.908 . . . . 0.0 111.185 171.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -66.84 111.38 2.16 Favored 'Trans proline' 0 N--CA 1.531 3.711 1 C-N-CA 126.533 4.822 . . . . 0.0 114.565 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.16 -12.02 8.1 Favored Glycine 0 C--O 1.242 0.617 0 O-C-N 120.705 -1.247 . . . . 0.0 112.588 -170.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.18 153.28 49.6 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.264 -1.139 . . . . 0.0 110.877 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.57 172.43 17.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.232 1.015 . . . . 0.0 111.469 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.81 159.87 26.66 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.97 -24.5 2.26 Favored 'Trans proline' 0 N--CA 1.528 3.549 1 C-N-CA 126.33 4.687 . . . . 0.0 115.168 -177.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.78 20.12 4.62 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.494 -0.753 . . . . 0.0 111.608 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 45.72 48.72 11.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.223 1.011 . . . . 0.0 110.473 -169.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.38 -26.78 14.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -171.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -106.91 148.84 28.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.816 0.817 . . . . 0.0 110.7 -177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -108.99 145.85 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.447 0.642 . . . . 0.0 110.734 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 . . . . . 0 C--O 1.245 0.849 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.473 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 22' ' ' TYR . 20.7 m . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.562 0.696 . . . . 0.0 112.847 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.5 t -49.56 100.79 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.44 1.114 . . . . 0.0 112.257 -169.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -166.63 1.27 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.184 170.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -48.78 -65.85 0.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.317 1.056 . . . . 0.0 111.891 -170.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.8 41.51 1.11 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 111.105 -172.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -40.28 118.22 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.177 -0.952 . . . . 0.0 113.048 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 m 50.93 45.84 27.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.719 0.771 . . . . 0.0 111.486 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.36 36.62 20.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.321 0.581 . . . . 0.0 111.678 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 51.56 27.14 3.69 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.875 0.845 . . . . 0.0 111.322 173.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -129.79 28.17 5.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.549 0.69 . . . . 0.0 111.325 -170.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.87 158.05 13.15 Favored Glycine 0 N--CA 1.462 0.41 0 CA-C-O 121.873 0.707 . . . . 0.0 111.48 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -98.77 132.33 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.669 0.747 . . . . 0.0 111.252 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -70.28 119.55 14.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 122.363 1.077 . . . . 0.0 111.68 175.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -102.71 77.3 1.58 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.658 1.218 . . . . 0.0 110.115 170.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.82 156.77 36.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.613 1.197 . . . . 0.0 112.916 -168.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 p -146.33 -176.82 5.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.875 0.845 . . . . 0.0 110.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mm -77.84 9.26 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.941 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.75 20.8 0.11 Allowed Glycine 0 N--CA 1.463 0.496 0 O-C-N 121.445 -0.784 . . . . 0.0 112.423 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 164.43 -179.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.671 -0.9 . . . . 0.0 110.663 -170.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CG ' ' CB ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -127.87 178.34 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 123.425 1.583 . . . . 0.0 113.051 169.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -137.95 135.94 36.51 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.832 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.3 m -98.49 128.2 44.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.169 0.985 . . . . 0.0 111.192 -171.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.4 p -96.74 84.01 3.54 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.714 0.768 . . . . 0.0 110.966 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.5 m -57.9 124.42 19.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.958 0.885 . . . . 0.0 110.948 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -51.28 159.41 1.11 Allowed Pre-proline 0 CA--C 1.51 -0.559 0 CA-C-O 121.707 0.765 . . . . 0.0 110.74 170.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.72 120.61 8.06 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.128 4.552 . . . . 0.0 114.436 -174.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.73 -2.0 36.26 Favored Glycine 0 C--O 1.24 0.521 0 O-C-N 120.729 -1.232 . . . . 0.0 111.773 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.11 161.07 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.469 -1.018 . . . . 0.0 110.645 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -155.56 175.87 13.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.356 1.074 . . . . 0.0 111.942 -178.591 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.52 150.5 25.39 Favored Glycine 0 N--CA 1.462 0.391 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -170.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.18 -29.29 1.07 Allowed 'Trans proline' 0 N--CA 1.53 3.619 1 C-N-CA 126.255 4.637 . . . . 0.0 115.177 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -126.31 22.35 7.15 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.615 -0.678 . . . . 0.0 111.848 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.012 0.91 . . . . 0.0 110.617 -170.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.47 17.21 24.56 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -138.39 140.25 39.29 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.351 -0.843 . . . . 0.0 111.227 171.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -101.15 136.15 34.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 0.0 110.794 176.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 . . . . . 0 C--N 1.319 -0.72 0 CA-C-O 121.683 0.754 . . . . 0.0 111.115 178.668 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.494 ' CB ' ' CG ' ' A' ' 17' ' ' GLU . 83.5 p . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 122.61 1.195 . . . . 0.0 113.581 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 35.31 89.54 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.135 1.774 . . . . 0.0 114.025 168.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -127.16 -154.12 0.61 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.681 -0.637 . . . . 0.0 109.838 168.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -69.43 0.13 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.387 1.089 . . . . 0.0 111.928 -171.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 ttp -92.11 48.63 1.44 Allowed 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.311 -0.868 . . . . 0.0 112.16 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.12 108.87 0.85 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.049 0.928 . . . . 0.0 110.638 170.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.39 42.9 31.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 111.589 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.09 29.78 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.67 0.748 . . . . 0.0 111.096 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt 43.58 42.6 4.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.587 0.708 . . . . 0.0 111.396 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.42 16.17 3.42 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.2 38.91 Favored Glycine 0 N--CA 1.463 0.437 0 O-C-N 121.479 -0.763 . . . . 0.0 111.259 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -98.34 139.11 34.59 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.633 -0.922 . . . . 0.0 111.799 -170.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 128.86 33.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.018 0.913 . . . . 0.0 111.293 -176.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.15 75.4 0.93 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.938 0.875 . . . . 0.0 110.428 169.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' CG ' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -66.56 153.88 41.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.675 1.226 . . . . 0.0 112.36 -169.166 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.0 p -143.89 -176.12 4.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.685 -170.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.53 108.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 0.0 110.721 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.55 82.25 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 173.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -177.08 176.55 1.38 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.56 1.171 . . . . 0.0 111.301 172.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.15 157.53 44.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.299 1.047 . . . . 0.0 111.28 170.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.1 p -118.97 170.64 8.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.735 170.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 m -118.3 140.72 49.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.659 1.219 . . . . 0.0 112.416 174.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.3 p -103.84 78.19 1.53 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.48 167.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.25 133.68 28.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.55 0.69 . . . . 0.0 111.379 -169.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -52.96 163.42 0.85 Allowed Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.807 0.813 . . . . 0.0 110.762 -177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.05 104.68 0.6 Allowed 'Trans proline' 0 N--CA 1.53 3.647 1 C-N-CA 126.615 4.877 . . . . 0.0 114.484 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.66 -15.75 6.63 Favored Glycine 0 C--O 1.242 0.607 0 O-C-N 120.884 -1.135 . . . . 0.0 112.449 -172.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -126.01 163.68 22.5 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.246 -1.149 . . . . 0.0 110.748 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.95 177.62 6.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.868 0.842 . . . . 0.0 111.27 -174.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.45 162.11 37.62 Favored Glycine 0 C--N 1.321 -0.285 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -171.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.88 -57.66 1.63 Allowed 'Trans proline' 0 N--CA 1.528 3.512 1 C-N-CA 126.481 4.787 . . . . 0.0 114.989 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -99.77 22.34 11.18 Favored 'General case' 0 C--O 1.242 0.675 0 O-C-N 121.663 -0.648 . . . . 0.0 111.338 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 54.07 48.92 19.98 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.217 -0.927 . . . . 0.0 110.521 -170.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -83.48 -21.8 32.72 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.247 -177.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.26 145.18 27.55 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.634 -175.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.67 138.32 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.124 -178.293 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.491 0.662 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.94 -163.32 0.16 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.032 0.92 . . . . 0.0 111.539 -170.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 p -53.35 106.0 0.16 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.962 0.887 . . . . 0.0 112.358 -169.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 25.32 91.13 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 125.762 1.625 . . . . 0.0 114.055 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -121.33 -165.44 1.23 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.669 0.747 . . . . 0.0 111.442 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.51 -52.22 55.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.015 0.912 . . . . 0.0 111.306 -170.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -111.23 59.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.635 0.731 . . . . 0.0 111.499 178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.542 0.687 . . . . 0.0 111.501 169.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.39 62.95 1.35 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.947 0.879 . . . . 0.0 110.981 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.88 24.88 14.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.487 0.661 . . . . 0.0 111.323 -173.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp 44.62 47.7 8.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.928 0.87 . . . . 0.0 111.233 -171.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.87 29.28 3.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.067 0.937 . . . . 0.0 111.353 -173.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.6 170.5 36.44 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.66 145.05 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.052 0.929 . . . . 0.0 111.109 -172.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.27 131.97 37.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.613 0.721 . . . . 0.0 110.984 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.43 77.36 1.05 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.179 0.99 . . . . 0.0 110.673 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.23 163.48 1.62 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.617 1.198 . . . . 0.0 112.019 -170.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.8 -170.66 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.796 -170.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -4.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -171.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.68 31.16 0.07 OUTLIER Glycine 0 C--N 1.319 -0.403 0 N-CA-C 110.724 -0.951 . . . . 0.0 110.724 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.35 -154.93 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.93 -0.747 . . . . 0.0 110.607 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.8 -179.69 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.55 1.167 . . . . 0.0 112.461 169.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 p -137.09 -163.96 1.51 Allowed 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.49 169.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.1 m -136.05 131.48 34.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.41 1.1 . . . . 0.0 111.936 -170.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 p -105.56 86.53 2.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.883 0.849 . . . . 0.0 110.775 170.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.93 130.66 38.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.939 0.876 . . . . 0.0 111.702 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -51.89 156.43 2.52 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 121.829 0.824 . . . . 0.0 111.012 171.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.73 102.83 1.47 Allowed 'Trans proline' 0 N--CA 1.531 3.735 1 C-N-CA 126.214 4.609 . . . . 0.0 114.701 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.96 -22.59 3.6 Favored Glycine 0 C--N 1.318 -0.436 0 O-C-N 120.818 -1.176 . . . . 0.0 110.712 -169.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -114.65 167.62 10.59 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.895 -0.768 . . . . 0.0 111.106 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -159.86 177.66 10.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.223 1.011 . . . . 0.0 111.779 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.9 159.66 30.56 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -170.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.3 -0.08 2.61 Favored 'Trans proline' 0 N--CA 1.53 3.631 1 C-N-CA 125.985 4.457 . . . . 0.0 116.3 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.37 18.87 2.75 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.274 -0.891 . . . . 0.0 111.346 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 49.83 10.56 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.791 0.805 . . . . 0.0 111.251 -171.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.81 -10.67 21.54 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -104.81 163.84 12.21 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.349 -0.844 . . . . 0.0 110.936 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.42 137.88 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 111.014 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -75.37 -170.4 1.2 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.547 0.689 . . . . 0.0 111.07 171.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--O 1.27 2.177 0 CA-C-O 122.083 0.944 . . . . 0.0 111.093 175.635 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.24 0.58 0 CA-C-O 121.232 0.539 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.42 153.01 39.64 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.47 1.129 . . . . 0.0 111.544 -171.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p 63.22 81.29 0.21 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 123.191 1.472 . . . . 0.0 111.784 169.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 30.25 89.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 126.142 1.777 . . . . 0.0 114.061 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -106.28 -130.62 0.29 Allowed 'General case' 0 C--O 1.25 1.092 0 O-C-N 121.915 -0.49 . . . . 0.0 110.163 169.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.2 -39.36 10.13 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.889 -1.132 . . . . 0.0 110.571 -169.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.62 42.41 1.18 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.402 171.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.19 117.42 0.98 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.421 -0.799 . . . . 0.0 111.552 169.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 40.93 75.77 0.08 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.363 0.602 . . . . 0.0 111.378 -170.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.45 -96.45 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.247 0.619 . . . . 0.0 111.189 -174.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -166.3 32.21 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.339 1.066 . . . . 0.0 110.728 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -8.81 8.26 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.708 -0.62 . . . . 0.0 112.438 -173.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.39 172.3 34.77 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-O 122.313 0.952 . . . . 0.0 112.271 -170.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -105.91 -177.99 3.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.739 0.781 . . . . 0.0 111.149 -171.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.97 139.97 45.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.69 0.757 . . . . 0.0 111.848 -170.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -128.0 68.62 1.33 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.358 1.075 . . . . 0.0 110.347 169.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.18 163.28 0.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.331 1.062 . . . . 0.0 111.526 -170.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -145.31 -177.04 5.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.473 0.654 . . . . 0.0 110.665 -170.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -170.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.61 29.42 0.19 Allowed Glycine 0 C--N 1.317 -0.521 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.95 -160.59 0.06 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 110.749 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.2 163.35 40.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.583 1.183 . . . . 0.0 111.979 170.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 p -124.55 -179.01 4.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.668 170.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -127.76 128.81 45.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.236 1.017 . . . . 0.0 112.12 -170.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 p -103.75 76.34 1.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.99 0.9 . . . . 0.0 109.429 169.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.3 m -70.27 152.89 43.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.596 1.189 . . . . 0.0 112.613 -168.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -59.33 152.65 52.62 Favored Pre-proline 0 CA--C 1.51 -0.584 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.472 170.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -61.95 118.26 5.13 Favored 'Trans proline' 0 N--CA 1.533 3.804 1 C-N-CA 126.038 4.492 . . . . 0.0 114.514 -174.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.59 21.91 8.02 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.682 -1.261 . . . . 0.0 111.796 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -138.81 151.42 47.03 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.499 -1.001 . . . . 0.0 111.18 170.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.1 171.9 19.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.32 1.057 . . . . 0.0 112.005 -172.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.58 161.07 25.01 Favored Glycine 0 N--CA 1.46 0.269 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -170.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -43.96 -52.3 5.65 Favored 'Trans proline' 0 N--CA 1.528 3.529 1 C-N-CA 126.309 4.672 . . . . 0.0 114.838 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -100.38 19.97 15.69 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.279 0.561 . . . . 0.0 111.551 172.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m 46.38 40.67 8.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.029 0.918 . . . . 0.0 110.678 -168.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.02 20.49 4.22 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.899 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -133.44 141.4 47.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.907 0.861 . . . . 0.0 110.749 170.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.27 138.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.422 0.629 . . . . 0.0 110.459 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -50.2 161.13 0.3 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.779 0.8 . . . . 0.0 111.566 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.269 2.127 0 CA-C-O 122.009 0.909 . . . . 0.0 110.931 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.239 0.538 0 CA-C-O 121.123 0.487 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -43.82 -62.12 1.21 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.203 1.001 . . . . 0.0 111.778 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.432 ' CB ' ' CG ' ' A' ' 17' ' ' GLU . 93.8 p -125.87 -137.88 0.27 Allowed 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.62 -167.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.6 m -87.1 143.45 27.31 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.264 -0.897 . . . . 0.0 111.57 -169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.69 -163.48 1.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.496 0.665 . . . . 0.0 110.903 171.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.12 -54.4 10.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.255 1.026 . . . . 0.0 111.057 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -99.3 68.56 1.64 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 170.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.01 0.433 . . . . 0.0 112.139 171.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 m -122.63 46.69 2.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.518 0.675 . . . . 0.0 111.359 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m 66.03 26.09 10.86 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.612 -0.68 . . . . 0.0 111.242 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt 47.74 35.88 5.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.031 0.92 . . . . 0.0 111.0 -173.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -133.24 30.1 3.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.303 0.573 . . . . 0.0 111.698 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.78 164.26 30.85 Favored Glycine 0 N--CA 1.462 0.388 0 CA-C-O 122.014 0.785 . . . . 0.0 111.19 173.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -99.99 150.03 22.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.945 0.878 . . . . 0.0 111.325 -170.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -72.96 140.67 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.15 0.976 . . . . 0.0 111.81 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mt -131.86 71.06 1.46 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.918 0.866 . . . . 0.0 111.001 170.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' CG ' ' CB ' ' A' ' 3' ' ' SER . 12.7 mp0 -63.9 152.86 38.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.042 0.925 . . . . 0.0 110.958 -171.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -139.63 -171.27 3.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.43 0.633 . . . . 0.0 110.76 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.17 102.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.838 0.828 . . . . 0.0 110.885 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.13 36.64 92.15 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 171.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 178.81 -167.74 0.08 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.899 0.857 . . . . 0.0 111.101 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.15 170.64 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.539 1.161 . . . . 0.0 112.378 170.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -132.95 -171.17 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.627 170.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 m -127.64 150.85 49.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.575 1.178 . . . . 0.0 111.787 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -109.19 78.59 1.15 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.036 169.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.9 m -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.81 0.814 . . . . 0.0 111.67 -170.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -51.68 158.48 1.56 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 121.867 0.841 . . . . 0.0 111.279 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -57.47 107.18 0.28 Allowed 'Trans proline' 0 N--CA 1.532 3.744 1 C-N-CA 126.479 4.786 . . . . 0.0 114.741 175.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.13 -17.87 5.08 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.805 -1.184 . . . . 0.0 112.305 -173.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.07 169.89 14.17 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.364 -1.08 . . . . 0.0 110.996 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' CE1' ' CB ' ' A' ' 37' ' ' TYR . 26.6 p90 -164.04 177.93 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.269 1.033 . . . . 0.0 112.033 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.84 152.54 25.68 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -170.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -44.8 -36.02 10.26 Favored 'Trans proline' 0 N--CA 1.528 3.525 1 C-N-CA 126.436 4.757 . . . . 0.0 115.117 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.61 20.55 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.892 -0.505 . . . . 0.0 111.306 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 47.53 42.02 14.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.231 1.015 . . . . 0.0 110.618 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -84.36 -11.35 56.46 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.529 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CB ' ' CE1' ' A' ' 31' ' ' TYR . 51.9 m-85 -111.49 155.92 22.49 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.325 -0.86 . . . . 0.0 110.689 175.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -126.81 143.19 41.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.027 0.917 . . . . 0.0 111.02 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -65.53 149.77 49.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.794 0.807 . . . . 0.0 110.935 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--O 1.27 2.177 0 CA-C-O 122.133 0.968 . . . . 0.0 110.945 -171.475 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 121.52 0.676 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -178.04 96.88 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.539 0.685 . . . . 0.0 111.438 172.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -47.33 -65.06 0.62 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.786 1.279 . . . . 0.0 110.019 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.465 ' CB ' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -76.09 137.31 40.07 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.791 -171.212 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.98 125.05 34.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.182 -170.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t70 30.24 -85.77 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.019 1.728 . . . . 0.0 113.926 -171.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.1 mtt -80.1 24.49 0.42 Allowed 'General case' 0 C--O 1.253 1.272 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -168.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 p 55.07 -163.78 0.13 Allowed 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.655 -1.278 . . . . 0.0 112.613 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.59 80.47 4.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.49 0.662 . . . . 0.0 111.295 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m 46.49 34.46 2.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.434 0.635 . . . . 0.0 111.027 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 58.37 36.98 25.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.739 0.781 . . . . 0.0 110.983 171.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -137.97 22.35 2.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.165 0.507 . . . . 0.0 111.739 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.64 155.96 13.84 Favored Glycine 0 C--N 1.32 -0.313 0 CA-C-O 122.326 0.959 . . . . 0.0 111.759 -171.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.11 121.2 42.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.782 0.801 . . . . 0.0 111.861 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' CB ' ' CD2' ' A' ' 22' ' ' TYR . 20.1 m -73.53 136.75 44.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 123.025 1.393 . . . . 0.0 111.57 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -134.66 111.02 9.66 Favored 'General case' 0 C--O 1.258 1.516 0 C-N-CA 123.888 0.875 . . . . 0.0 112.556 -166.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.3 145.39 29.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 127.056 3.313 . . . . 0.0 115.827 -166.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -120.36 -160.96 0.86 Allowed 'General case' 0 C--O 1.246 0.911 0 C-N-CA 127.256 2.222 . . . . 0.0 110.693 -163.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -11.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -171.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.38 40.43 0.09 OUTLIER Glycine 0 C--O 1.243 0.663 0 CA-C-N 116.52 -0.309 . . . . 0.0 112.628 170.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.17 143.31 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 O-C-N 121.512 -0.993 . . . . 0.0 111.262 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' CD2' ' CB ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -106.37 165.04 11.55 Favored 'General case' 0 C--N 1.356 0.856 1 CA-C-O 129.494 4.473 . . . . 0.0 115.073 170.368 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -121.83 -165.05 1.21 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 111.551 -2.568 . . . . 0.0 111.062 -167.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.4 m -123.85 129.87 51.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.79 1.281 . . . . 0.0 113.509 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -109.26 84.98 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.089 0.947 . . . . 0.0 110.399 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.29 128.5 37.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.437 1.113 . . . . 0.0 111.384 -170.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -43.63 160.28 0.22 Allowed Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 122.228 1.013 . . . . 0.0 111.697 170.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -76.64 26.08 0.44 Allowed 'Trans proline' 0 N--CA 1.533 3.832 1 C-N-CA 126.684 4.923 . . . . 0.0 116.905 -177.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.91 16.22 3.5 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 121.37 -0.831 . . . . 0.0 111.485 168.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -139.53 170.14 16.46 Favored 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.55 -0.971 . . . . 0.0 111.096 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -164.43 171.39 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.936 1.35 . . . . 0.0 112.512 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.3 148.44 23.12 Favored Glycine 0 N--CA 1.462 0.38 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -43.68 -26.13 1.11 Allowed 'Trans proline' 0 N--CA 1.53 3.635 1 C-N-CA 126.148 4.565 . . . . 0.0 115.605 -177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.53 20.37 8.69 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.548 -0.72 . . . . 0.0 111.029 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 44.45 53.01 7.22 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.951 0.882 . . . . 0.0 110.677 -169.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.36 4.62 41.68 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -116.16 136.21 53.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.215 -0.928 . . . . 0.0 110.74 171.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 137.06 41.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.415 0.626 . . . . 0.0 110.692 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -51.63 161.11 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.528 0.68 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.27 2.155 0 CA-C-O 121.966 0.889 . . . . 0.0 110.826 -170.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.773 0.796 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.85 -66.99 0.86 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.58 0.705 . . . . 0.0 112.527 -171.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -138.7 -103.17 0.17 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -165.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 134.98 47.19 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.199 -0.938 . . . . 0.0 112.053 -166.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -136.75 -109.78 0.19 Allowed 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.714 169.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -109.08 -47.55 3.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 122.118 0.961 . . . . 0.0 109.836 -170.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.49 37.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.137 170.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -35.01 110.79 0.1 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.723 0.773 . . . . 0.0 112.883 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.5 m 64.78 41.81 4.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.384 0.611 . . . . 0.0 111.45 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 m 53.04 35.88 20.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 111.53 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.06 39.33 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.022 0.915 . . . . 0.0 111.345 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.42 ' C ' ' CD2' ' A' ' 27' ' ' TYR . 1.1 mt-30 -136.33 23.14 3.22 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.67 -0.644 . . . . 0.0 111.765 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.483 ' N ' ' CE2' ' A' ' 27' ' ' TYR . . . 169.65 159.61 15.87 Favored Glycine 0 N--CA 1.461 0.356 0 CA-C-O 121.995 0.775 . . . . 0.0 111.382 -171.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -102.8 141.0 36.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.715 0.769 . . . . 0.0 111.196 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.49 142.02 57.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.733 1.254 . . . . 0.0 110.729 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.8 mt -120.73 67.36 0.85 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.527 1.156 . . . . 0.0 109.757 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.34 126.06 19.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.19 0.995 . . . . 0.0 111.751 -169.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 p -105.93 -164.0 0.98 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.644 -0.66 . . . . 0.0 110.793 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -36.94 -90.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 124.729 1.212 . . . . 0.0 113.229 -175.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.98 50.35 0.78 Allowed Glycine 0 C--N 1.316 -0.577 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 171.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.96 -166.64 0.43 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.932 0.872 . . . . 0.0 111.158 170.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.35 174.4 12.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.454 1.121 . . . . 0.0 112.31 170.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 p -137.9 158.43 44.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.015 170.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.3 134.09 42.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.169 0.985 . . . . 0.0 111.794 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.2 p -104.8 81.64 1.78 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.997 0.903 . . . . 0.0 110.59 169.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.9 127.5 31.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.94 0.876 . . . . 0.0 111.807 -170.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CE2' ' N ' ' A' ' 13' ' ' GLY . 34.0 m-85 -52.69 155.31 4.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 122.036 0.922 . . . . 0.0 111.966 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -52.41 104.66 0.1 OUTLIER 'Trans proline' 0 N--CA 1.529 3.611 1 C-N-CA 126.748 4.966 . . . . 0.0 115.15 174.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' C ' ' CD ' ' A' ' 39' ' ' ARG . . . 136.09 -21.24 3.52 Favored Glycine 0 C--O 1.24 0.494 0 O-C-N 120.837 -1.165 . . . . 0.0 111.603 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -132.36 166.65 21.47 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.432 -1.04 . . . . 0.0 111.378 -169.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -162.04 176.12 11.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.078 0.942 . . . . 0.0 111.649 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.02 155.12 26.98 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -171.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.27 -12.61 10.71 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.085 4.523 . . . . 0.0 115.816 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -126.76 19.07 7.27 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.278 -0.889 . . . . 0.0 111.311 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m 41.75 45.63 3.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.931 0.872 . . . . 0.0 111.102 -169.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -95.96 -5.45 41.27 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -173.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -106.14 155.49 19.39 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.278 -0.889 . . . . 0.0 110.761 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -125.49 141.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.192 0.996 . . . . 0.0 111.411 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' CD ' ' C ' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -64.67 -152.78 0.01 OUTLIER 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.301 171.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--O 1.27 2.168 0 O-C-N 120.987 -1.071 . . . . 0.0 111.296 -169.522 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 121.719 0.771 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.79 -61.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.9 0.857 . . . . 0.0 111.501 -170.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -147.96 -139.1 0.09 Allowed 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.24 -169.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.78 135.45 16.26 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.847 -1.158 . . . . 0.0 111.992 -167.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -110.58 -155.22 0.56 Allowed 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.034 170.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -58.94 5.32 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.443 1.116 . . . . 0.0 111.588 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.0 35.42 0.98 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 112.267 -171.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 134.9 57.25 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.17 -0.956 . . . . 0.0 111.192 170.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.21 37.63 4.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.2 0.524 . . . . 0.0 111.282 -171.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.92 -164.85 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.334 0.588 . . . . 0.0 110.711 -172.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -96.14 47.45 1.09 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.56 1.172 . . . . 0.0 110.727 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -116.47 -34.42 4.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.628 0.728 . . . . 0.0 111.725 171.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.4 156.44 25.18 Favored Glycine 0 N--CA 1.463 0.473 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.92 159.23 16.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.769 1.271 . . . . 0.0 112.347 -170.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 139.63 32.57 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.014 0.911 . . . . 0.0 111.52 -170.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.78 78.96 1.86 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 170.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -66.54 145.07 56.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.306 1.05 . . . . 0.0 110.7 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 p -146.81 -170.64 3.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.868 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.7 mt -27.63 -93.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 125.571 1.548 . . . . 0.0 113.691 177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.62 47.64 1.02 Allowed Glycine 0 C--N 1.317 -0.511 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.599 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.07 176.23 0.14 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.586 0.708 . . . . 0.0 110.985 171.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -127.85 177.29 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.182 0.992 . . . . 0.0 112.261 171.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.92 -167.33 2.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.748 0.785 . . . . 0.0 111.366 -175.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.8 m -134.4 145.93 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.918 0.866 . . . . 0.0 111.068 169.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.8 p -112.04 78.89 1.16 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 110.518 169.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.7 121.44 7.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.552 0.691 . . . . 0.0 110.762 -175.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -53.37 168.67 0.36 Allowed Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 122.23 1.014 . . . . 0.0 111.147 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -78.52 29.11 0.46 Allowed 'Trans proline' 0 N--CA 1.529 3.577 1 C-N-CA 127.956 5.77 . . . . 0.0 116.074 -174.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.86 5.64 4.38 Favored Glycine 0 C--O 1.24 0.523 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 170.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -139.02 -172.12 3.25 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.418 -1.048 . . . . 0.0 111.27 -169.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 178.69 176.9 0.49 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.94 0.876 . . . . 0.0 111.28 170.319 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.62 155.89 26.48 Favored Glycine 0 C--N 1.32 -0.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -170.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -44.1 -37.95 10.18 Favored 'Trans proline' 0 N--CA 1.528 3.517 1 C-N-CA 126.237 4.625 . . . . 0.0 114.908 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -114.28 20.98 15.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.732 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.87 40.35 8.92 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.347 -0.845 . . . . 0.0 110.771 -170.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.51 -9.5 59.39 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.871 -0.518 . . . . 0.0 112.28 -174.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -119.81 136.08 54.61 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.41 -0.806 . . . . 0.0 110.464 -175.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.6 146.87 12.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.555 0.693 . . . . 0.0 110.736 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -53.69 141.13 27.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.766 0.793 . . . . 0.0 111.264 -170.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.216 0 CA-C-O 121.882 0.848 . . . . 0.0 110.959 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 121.906 0.86 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.24 36.2 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.389 0.614 . . . . 0.0 111.295 170.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -163.87 84.56 0.46 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.335 1.54 . . . . 0.0 110.666 169.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t 40.7 80.92 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.996 1.318 . . . . 0.0 113.69 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.19 -164.09 0.98 Allowed 'General case' 0 C--N 1.318 -0.796 0 O-C-N 121.679 -0.638 . . . . 0.0 110.241 168.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.55 -62.42 0.88 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.46 1.124 . . . . 0.0 112.62 -170.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -118.54 60.74 0.79 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.59 1.662 . . . . 0.0 110.078 -178.682 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -37.98 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.163 -0.96 . . . . 0.0 112.859 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.12 68.63 0.67 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.701 0.762 . . . . 0.0 110.573 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p 56.85 -157.09 0.28 Allowed 'General case' 0 C--O 1.241 0.651 0 O-C-N 121.864 -0.522 . . . . 0.0 109.841 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -116.44 50.98 1.0 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.582 1.182 . . . . 0.0 110.412 170.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -133.4 13.38 4.16 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.205 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.66 161.98 34.3 Favored Glycine 0 C--N 1.319 -0.366 0 O-C-N 121.4 -0.812 . . . . 0.0 111.64 -170.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.12 -179.32 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.068 0.937 . . . . 0.0 111.375 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 120.87 42.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.488 0.661 . . . . 0.0 110.484 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.56 68.91 1.86 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.535 1.159 . . . . 0.0 110.423 170.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 121.46 14.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.088 0.947 . . . . 0.0 111.746 -169.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 p -98.36 -169.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.049 0.928 . . . . 0.0 111.32 -174.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.76 2.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -170.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.99 30.02 0.12 Allowed Glycine 0 C--N 1.319 -0.362 0 O-C-N 121.162 -0.961 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.479 ' ND2' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 178.95 -168.88 0.09 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.818 -0.813 . . . . 0.0 110.636 -170.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -148.86 168.55 22.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.491 1.138 . . . . 0.0 112.432 168.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.9 p -135.58 -173.17 3.28 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.721 169.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -134.53 128.18 32.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.274 1.035 . . . . 0.0 112.247 -170.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -100.71 90.34 4.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.604 0.716 . . . . 0.0 110.179 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -56.53 127.86 33.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.141 0.972 . . . . 0.0 111.303 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -47.32 163.31 0.26 Allowed Pre-proline 0 C--N 1.321 -0.644 0 CA-C-O 121.958 0.885 . . . . 0.0 111.315 171.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -67.82 109.84 1.99 Allowed 'Trans proline' 0 N--CA 1.531 3.718 1 C-N-CA 126.49 4.793 . . . . 0.0 114.51 -174.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.12 -8.57 31.22 Favored Glycine 0 C--O 1.24 0.493 0 O-C-N 120.804 -1.185 . . . . 0.0 111.509 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -110.83 151.19 28.12 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.463 -1.022 . . . . 0.0 110.687 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.76 -174.42 4.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.117 0.96 . . . . 0.0 111.64 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.31 151.35 27.36 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -39.25 -29.38 0.21 Allowed 'Trans proline' 0 N--CA 1.528 3.545 1 C-N-CA 126.321 4.681 . . . . 0.0 115.215 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -133.33 23.24 4.08 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.621 -0.674 . . . . 0.0 111.474 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.35 57.76 5.52 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.215 -0.928 . . . . 0.0 110.542 -170.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.04 -3.76 25.52 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -125.26 155.76 39.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.928 0.871 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -111.04 131.51 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.677 0.751 . . . . 0.0 110.636 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -52.31 -25.64 10.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.978 0.894 . . . . 0.0 113.157 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.272 2.238 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.771 -171.61 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.511 -0.533 0 CA-C-O 121.546 0.688 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.09 162.01 0.25 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.342 0.591 . . . . 0.0 110.792 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.439 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 17.6 p 49.95 -151.39 0.18 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.901 0.858 . . . . 0.0 110.092 169.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 t -109.16 132.52 54.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.211 1.005 . . . . 0.0 110.331 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -133.48 -174.87 3.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.951 0.881 . . . . 0.0 110.751 -169.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.25 -53.63 33.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.253 1.025 . . . . 0.0 110.709 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -126.97 74.91 1.53 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 124.543 2.116 . . . . 0.0 110.173 174.084 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -73.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 120.644 -1.285 . . . . 0.0 111.159 170.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.9 m -112.86 51.1 0.84 Allowed 'General case' 0 C--O 1.241 0.64 0 O-C-N 121.363 -0.836 . . . . 0.0 111.632 -171.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.72 27.29 16.04 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.186 -0.947 . . . . 0.0 111.849 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? 48.65 40.5 15.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.923 0.868 . . . . 0.0 111.118 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.33 24.74 4.49 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.759 0.79 . . . . 0.0 111.125 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.52 160.66 15.35 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -167.27 1.48 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.996 -0.708 . . . . 0.0 110.804 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 118.34 30.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.419 0.628 . . . . 0.0 110.361 -175.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -95.6 66.48 2.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.748 1.261 . . . . 0.0 110.467 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.31 123.96 18.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.977 -170.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -97.4 -170.08 1.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.66 0.743 . . . . 0.0 110.955 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.76 4.2 1.36 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -170.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.52 27.68 0.2 Allowed Glycine 0 N--CA 1.462 0.397 0 O-C-N 121.282 -0.886 . . . . 0.0 111.634 171.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.47 ' ND2' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 177.14 -167.12 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.902 -0.763 . . . . 0.0 110.507 -171.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.47 ' N ' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -148.09 174.5 11.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.746 1.26 . . . . 0.0 112.191 167.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 -164.37 1.58 Allowed 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.356 168.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.6 132.91 53.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.164 0.983 . . . . 0.0 111.766 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.4 p -105.07 87.33 2.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.617 0.722 . . . . 0.0 110.253 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -51.93 129.84 27.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.1 0.952 . . . . 0.0 111.583 -170.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -54.91 160.97 2.57 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.822 0.82 . . . . 0.0 110.658 172.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -62.25 100.02 0.21 Allowed 'Trans proline' 0 N--CA 1.531 3.686 1 C-N-CA 126.045 4.497 . . . . 0.0 114.375 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.65 -2.34 5.67 Favored Glycine 0 C--O 1.242 0.635 0 O-C-N 120.977 -1.077 . . . . 0.0 112.803 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -138.8 149.37 44.88 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.392 1.096 . . . . 0.0 111.521 -169.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -153.86 177.97 10.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.895 0.855 . . . . 0.0 111.404 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.7 155.66 31.7 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -170.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.36 -28.53 8.45 Favored 'Trans proline' 0 N--CA 1.526 3.422 1 C-N-CA 126.223 4.615 . . . . 0.0 114.759 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -118.1 18.52 13.83 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 112.275 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 45.61 37.4 3.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.791 0.805 . . . . 0.0 111.033 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -97.65 19.95 12.69 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.896 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -137.48 153.37 50.07 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.199 -0.938 . . . . 0.0 111.196 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.4 t -87.52 144.08 9.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.856 0.836 . . . . 0.0 110.391 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.54 -17.28 20.58 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.929 0.871 . . . . 0.0 112.661 -170.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.192 0 CA-C-O 121.917 0.865 . . . . 0.0 111.042 -169.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.189 0.519 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.92 -163.64 1.79 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.525 -0.734 . . . . 0.0 110.852 -173.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 62.47 -92.75 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t -173.15 119.98 0.34 Allowed 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.491 -0.756 . . . . 0.0 110.796 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -134.97 -108.2 0.22 Allowed 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.696 -0.628 . . . . 0.0 112.375 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -104.76 -55.1 2.39 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.364 1.078 . . . . 0.0 110.789 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.21 34.93 0.92 Allowed 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.637 -0.665 . . . . 0.0 112.205 170.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.43 100.39 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.48 -0.762 . . . . 0.0 111.177 170.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.7 m 57.95 61.9 2.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.857 0.836 . . . . 0.0 111.664 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.1 t 59.0 -90.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.697 -174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.32 36.25 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.508 1.146 . . . . 0.0 110.887 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -132.39 10.92 4.49 Favored 'General case' 0 C--O 1.242 0.692 0 O-C-N 121.652 -0.655 . . . . 0.0 112.685 -170.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.05 166.04 35.52 Favored Glycine 0 N--CA 1.462 0.373 0 CA-C-O 122.01 0.783 . . . . 0.0 111.981 -170.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.36 -174.37 2.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 110.872 -172.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 m -121.78 116.32 24.26 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.627 0.727 . . . . 0.0 111.531 -171.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.46 79.32 1.19 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.945 0.878 . . . . 0.0 110.829 171.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.68 137.8 48.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.77 1.272 . . . . 0.0 111.743 -170.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.3 p -112.0 -169.72 1.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.655 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mp -16.32 -96.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.059 1.744 . . . . 0.0 113.633 170.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.43 52.62 0.72 Allowed Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 170.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.15 -160.98 0.34 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.028 -0.69 . . . . 0.0 110.863 173.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.19 169.48 20.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 123.454 1.597 . . . . 0.0 113.708 169.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -120.53 -166.02 1.27 Allowed 'General case' 0 C--O 1.244 0.776 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.093 168.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 m -135.46 151.82 50.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.682 1.23 . . . . 0.0 112.329 170.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.3 p -112.09 82.61 1.66 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.806 168.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.4 m -51.82 134.41 31.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.942 0.877 . . . . 0.0 111.487 -170.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -56.05 158.06 7.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.869 0.842 . . . . 0.0 110.932 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.01 96.06 0.77 Allowed 'Trans proline' 0 N--CA 1.53 3.63 1 C-N-CA 126.2 4.6 . . . . 0.0 114.743 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.4 -23.59 2.2 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 120.989 -1.069 . . . . 0.0 111.365 -169.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -123.79 159.69 28.97 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.611 -0.935 . . . . 0.0 110.641 -171.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -155.98 179.75 8.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.91 0.862 . . . . 0.0 111.331 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.11 156.26 28.04 Favored Glycine 0 C--N 1.319 -0.369 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.98 -32.52 4.65 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.222 4.614 . . . . 0.0 114.975 175.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -117.31 19.07 14.26 Favored 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.882 -0.511 . . . . 0.0 112.074 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m 45.37 35.66 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.314 -0.866 . . . . 0.0 111.146 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -17.17 39.96 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -170.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.89 167.43 10.09 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.42 -0.8 . . . . 0.0 110.763 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -124.6 149.69 29.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.89 0.853 . . . . 0.0 111.024 -172.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -67.09 -175.59 0.46 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.425 0.631 . . . . 0.0 111.034 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--O 1.274 2.361 0 CA-C-O 121.709 0.766 . . . . 0.0 111.187 -175.509 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 121.258 0.551 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.21 -91.13 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.672 0.749 . . . . 0.0 112.164 170.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.4 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 21.0 p -173.83 -153.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.381 0.61 . . . . 0.0 111.155 -168.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.9 t -96.88 54.53 1.29 Allowed 'General case' 0 C--O 1.243 0.762 0 CA-C-O 122.373 1.082 . . . . 0.0 113.025 -168.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 7' ' ' MET . 7.2 tt0 -138.95 177.33 7.97 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.922 -1.111 . . . . 0.0 110.942 170.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 36.17 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 125.72 1.608 . . . . 0.0 113.387 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 5' ' ' GLN . 2.1 ttm -93.69 46.53 1.19 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.41 90.62 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.837 0.827 . . . . 0.0 112.25 169.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 m 41.6 45.91 3.0 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 123.433 0.693 . . . . 0.0 112.35 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m 64.04 32.19 13.05 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.515 -0.74 . . . . 0.0 111.011 171.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.46 47.23 14.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.69 0.757 . . . . 0.0 111.595 -176.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -137.73 20.26 2.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.296 0.569 . . . . 0.0 112.021 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.45 -178.07 46.39 Favored Glycine 0 C--N 1.32 -0.335 0 O-C-N 121.433 -0.792 . . . . 0.0 111.353 -171.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.13 172.19 7.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.51 107.6 10.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.799 0.809 . . . . 0.0 110.823 -170.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.0 mt -102.3 91.23 4.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.51 0.671 . . . . 0.0 111.221 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.4 160.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.456 1.122 . . . . 0.0 111.035 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.2 p -159.08 -171.83 3.53 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.68 0.752 . . . . 0.0 110.704 -169.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.84 116.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.891 0.853 . . . . 0.0 111.322 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.91 22.39 57.43 Favored Glycine 0 C--O 1.24 0.516 0 O-C-N 121.894 -0.504 . . . . 0.0 112.112 171.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.94 -177.42 0.1 Allowed 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.623 -0.928 . . . . 0.0 111.057 -171.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.4 ' CE2' ' O ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -125.19 -174.92 3.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.822 0.82 . . . . 0.0 110.709 166.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.6 p -136.28 -175.25 3.93 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.956 -0.465 . . . . 0.0 110.717 170.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.2 m -131.89 129.43 40.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.35 1.072 . . . . 0.0 112.387 -171.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -104.98 81.98 1.8 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.931 0.872 . . . . 0.0 109.607 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.0 m -50.52 146.6 5.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 112.333 -169.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -62.58 166.17 7.86 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.944 0.878 . . . . 0.0 110.876 170.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -65.13 103.27 0.49 Allowed 'Trans proline' 0 N--CA 1.53 3.654 1 C-N-CA 126.736 4.958 . . . . 0.0 114.469 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.12 -18.64 5.0 Favored Glycine 0 C--O 1.241 0.561 0 O-C-N 120.854 -1.154 . . . . 0.0 112.324 -171.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -128.68 164.32 23.19 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.288 -1.125 . . . . 0.0 110.803 -174.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.87 160.98 14.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.115 0.96 . . . . 0.0 111.494 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.62 154.62 13.96 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -171.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -44.93 -32.05 5.99 Favored 'Trans proline' 0 N--CA 1.529 3.617 1 C-N-CA 126.282 4.655 . . . . 0.0 115.012 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -117.76 18.55 14.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.309 0.576 . . . . 0.0 112.045 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.3 m 46.74 39.51 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.915 0.865 . . . . 0.0 111.454 -171.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -9.66 48.21 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -102.95 134.83 45.73 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.295 -0.878 . . . . 0.0 110.775 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.94 138.55 32.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.992 0.901 . . . . 0.0 110.991 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -64.47 -172.94 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.732 0.777 . . . . 0.0 110.988 -172.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.27 2.183 0 CA-C-O 121.971 0.891 . . . . 0.0 111.049 173.68 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 121.906 0.86 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.19 108.34 9.2 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.744 -0.598 . . . . 0.0 111.238 -172.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -158.13 111.19 2.4 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.308 0.575 . . . . 0.0 111.7 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m 28.25 80.53 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.985 1.314 . . . . 0.0 113.023 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -100.4 -165.59 1.23 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.002 0.906 . . . . 0.0 110.876 176.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -54.33 22.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.293 1.044 . . . . 0.0 110.375 -176.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt -111.86 61.75 0.62 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.164 170.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -31.45 -87.98 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 124.718 1.207 . . . . 0.0 113.354 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 67.4 1.28 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.656 0.741 . . . . 0.0 110.544 -174.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 t 61.01 -85.01 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.193 0.521 . . . . 0.0 110.588 -170.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 40.84 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.608 1.194 . . . . 0.0 110.687 169.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -120.23 -18.6 7.96 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.592 -173.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.16 170.5 36.25 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-O 122.195 0.886 . . . . 0.0 111.677 -176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -110.38 165.3 11.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.515 1.15 . . . . 0.0 111.736 -170.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.85 143.84 31.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 123.003 1.383 . . . . 0.0 112.241 -170.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mt -130.42 71.34 1.46 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.463 1.125 . . . . 0.0 109.866 169.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 137.47 31.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.137 1.446 . . . . 0.0 113.176 -167.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -115.67 -170.58 1.81 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.091 0.948 . . . . 0.0 111.502 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mm -69.9 -5.03 4.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.48 24.21 0.24 Allowed Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.71 -0.619 . . . . 0.0 111.624 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.11 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.798 -0.825 . . . . 0.0 110.169 -170.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.69 164.27 29.97 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.682 1.229 . . . . 0.0 111.678 167.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -117.43 177.95 4.56 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.22 168.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -130.71 131.17 44.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.081 0.943 . . . . 0.0 111.612 -171.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -96.77 84.36 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.193 0.997 . . . . 0.0 109.946 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.4 m -62.37 124.98 22.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.062 0.934 . . . . 0.0 110.988 -170.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -48.32 161.57 0.38 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 122.017 0.913 . . . . 0.0 110.905 171.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.2 110.6 0.81 Allowed 'Trans proline' 0 N--CA 1.529 3.616 1 C-N-CA 126.266 4.644 . . . . 0.0 114.469 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.27 -4.64 6.77 Favored Glycine 0 C--O 1.241 0.593 0 O-C-N 120.925 -1.109 . . . . 0.0 112.379 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -132.91 169.08 17.29 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.219 -1.165 . . . . 0.0 111.051 -172.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -166.75 177.55 6.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.066 0.936 . . . . 0.0 111.337 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.99 151.12 27.56 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -170.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -44.08 -44.37 12.4 Favored 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.276 4.651 . . . . 0.0 114.912 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -99.95 20.31 14.59 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.809 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 44.11 31.61 0.56 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.256 -0.903 . . . . 0.0 110.418 -168.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.26 17.33 6.15 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.046 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -131.4 116.58 17.72 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.292 -0.88 . . . . 0.0 110.805 170.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -94.6 153.57 3.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.523 0.678 . . . . 0.0 110.713 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -66.61 -139.62 0.0 OUTLIER 'General case' 0 C--O 1.245 0.82 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.993 170.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--O 1.27 2.153 0 O-C-N 121.128 -0.982 . . . . 0.0 111.249 170.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 CA--C 1.513 -0.454 0 CA-C-O 121.416 0.627 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.27 -93.87 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 170.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 p -132.33 -156.36 0.75 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.375 1.083 . . . . 0.0 111.726 -166.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t -79.48 146.29 32.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.193 1.473 . . . . 0.0 114.128 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.95 -178.86 5.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.285 1.04 . . . . 0.0 109.961 167.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 -170.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -124.95 53.43 1.49 Allowed 'General case' 0 C--O 1.243 0.751 0 CA-C-O 121.389 0.614 . . . . 0.0 112.358 -175.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -63.73 143.39 57.88 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.188 0.994 . . . . 0.0 111.103 169.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' SER . 27.6 m 89.93 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 125.416 1.487 . . . . 0.0 112.515 169.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 1.1 m 144.29 11.25 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 125.196 1.398 . . . . 0.0 114.593 -167.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mttt 73.26 12.67 4.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.361 1.437 . . . . 0.0 111.636 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.404 ' CB ' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -135.34 32.9 3.08 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.366 -0.834 . . . . 0.0 110.668 168.82 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.27 147.63 10.47 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-O 122.23 0.906 . . . . 0.0 111.283 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -166.63 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.412 1.101 . . . . 0.0 111.55 -170.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 123.46 49.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.459 0.704 . . . . 0.0 111.076 -170.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.82 107.21 19.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.947 0.88 . . . . 0.0 111.835 170.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 108.91 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.4 1.095 . . . . 0.0 111.478 -167.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.9 p -95.06 -174.19 3.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.761 0.791 . . . . 0.0 111.225 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 mm -73.07 107.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.777 0.799 . . . . 0.0 111.092 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.23 68.79 Favored Glycine 0 C--N 1.32 -0.336 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.53 175.06 0.25 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.978 -0.719 . . . . 0.0 110.996 171.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -141.61 -177.79 5.34 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.125 0.964 . . . . 0.0 112.928 170.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -134.9 -163.77 1.42 Allowed 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.666 -0.646 . . . . 0.0 111.007 171.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.11 132.44 56.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.486 1.136 . . . . 0.0 111.847 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.4 p -110.13 84.94 2.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.873 0.844 . . . . 0.0 110.476 170.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -53.45 144.25 17.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.796 0.808 . . . . 0.0 111.397 -170.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -71.8 164.38 58.82 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 122.153 0.977 . . . . 0.0 111.136 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -61.14 97.01 0.12 Allowed 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.549 4.832 . . . . 0.0 114.363 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.85 -7.94 5.19 Favored Glycine 0 N--CA 1.463 0.488 0 O-C-N 120.998 -1.064 . . . . 0.0 112.982 -171.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 2.6 m-85 -138.15 140.41 39.85 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.503 -0.998 . . . . 0.0 111.312 -167.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -150.17 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.794 1.283 . . . . 0.0 112.486 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 148.25 18.35 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -42.47 -31.78 2.01 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.228 4.619 . . . . 0.0 115.01 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.57 20.94 12.28 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.637 -0.664 . . . . 0.0 111.496 -177.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.24 45.78 13.11 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.071 0.939 . . . . 0.0 110.258 -169.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.01 5.61 50.12 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.325 -172.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -131.94 156.14 46.7 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.196 -0.94 . . . . 0.0 111.43 170.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.01 140.42 17.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.49 0.662 . . . . 0.0 109.705 169.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -86.78 -5.09 59.22 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -168.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.274 2.382 0 O-C-N 121.208 -0.932 . . . . 0.0 111.723 -171.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.479 0 CA-C-O 121.809 0.814 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.447 ' CB ' ' CG ' ' A' ' 17' ' ' GLU . . . -78.68 -73.38 0.33 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.365 0.602 . . . . 0.0 110.522 170.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 t -178.75 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.301 0.572 . . . . 0.0 111.739 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.99 134.77 13.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.737 1.256 . . . . 0.0 111.382 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -133.58 156.95 46.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.58 170.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -17.58 0.73 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 112.413 -171.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.86 -67.71 0.65 Allowed 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.32 0.581 . . . . 0.0 111.971 168.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 85.67 -157.03 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.816 0 O-C-N 119.996 -1.69 . . . . 0.0 110.05 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.78 78.83 7.52 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 121.509 -0.744 . . . . 0.0 112.491 -169.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m 52.71 30.11 8.37 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.55 -0.719 . . . . 0.0 112.057 -171.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt 49.23 34.84 6.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.615 1.198 . . . . 0.0 110.854 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -133.98 25.71 3.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.727 0.775 . . . . 0.0 110.825 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.43 157.86 14.23 Favored Glycine 0 C--N 1.32 -0.354 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -98.08 138.59 35.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.033 -171.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 134.91 53.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.963 0.887 . . . . 0.0 110.752 171.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt -113.92 83.81 1.93 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.383 1.087 . . . . 0.0 110.36 170.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' CG ' ' CB ' ' A' ' 2' ' ' ALA . 6.2 tt0 -74.63 104.95 5.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.545 1.164 . . . . 0.0 111.169 -170.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 p -98.58 -169.88 1.86 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.41 1.1 . . . . 0.0 111.713 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.43 115.85 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.948 0.88 . . . . 0.0 111.069 171.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 28.23 60.57 Favored Glycine 0 N--CA 1.462 0.399 0 O-C-N 121.872 -0.518 . . . . 0.0 112.783 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 170.98 172.74 0.07 Allowed 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.985 -0.715 . . . . 0.0 110.775 170.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -127.2 -171.85 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.873 1.32 . . . . 0.0 112.613 170.69 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.3 p -135.44 -168.62 2.23 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.405 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.7 m -127.92 124.05 36.42 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.389 -0.819 . . . . 0.0 110.585 170.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -96.62 74.59 2.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.838 0.828 . . . . 0.0 110.662 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -54.0 137.77 38.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.675 0.75 . . . . 0.0 111.231 -170.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -46.11 158.9 0.35 Allowed Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.367 0.603 . . . . 0.0 110.051 170.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -86.02 48.7 2.11 Favored 'Trans proline' 0 N--CA 1.533 3.813 1 C-N-CA 126.153 4.569 . . . . 0.0 117.097 -172.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.37 22.15 0.22 Allowed Glycine 0 N--CA 1.465 0.57 0 O-C-N 121.123 -0.986 . . . . 0.0 111.598 166.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -138.54 168.95 18.67 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.67 -0.9 . . . . 0.0 111.271 -171.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -163.14 169.68 18.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.412 1.101 . . . . 0.0 112.552 -173.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.99 152.48 26.71 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -170.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -40.66 -26.69 0.25 Allowed 'Trans proline' 0 N--CA 1.53 3.645 1 C-N-CA 126.509 4.806 . . . . 0.0 115.629 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -125.19 21.63 8.0 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.487 -0.758 . . . . 0.0 111.851 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 46.23 13.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.001 0.905 . . . . 0.0 110.434 -170.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CD ' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -96.07 -18.51 20.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 -172.721 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' CD ' ' A' ' 36' ' ' GLU . 97.9 m-85 -102.12 118.81 37.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.775 0.798 . . . . 0.0 110.478 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -86.67 148.83 4.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.504 171.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -9.37 31.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 170.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.18 0 CA-C-O 122.105 0.955 . . . . 0.0 111.074 -173.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 121.657 0.741 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.25 -96.94 0.05 OUTLIER 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.013 0.525 . . . . 0.0 112.303 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 p -167.62 116.01 0.78 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.147 0.975 . . . . 0.0 112.935 -169.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 85.49 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 124.941 1.296 . . . . 0.0 112.413 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.67 -159.34 0.73 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.331 170.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.76 -56.09 24.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.259 1.028 . . . . 0.0 110.823 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 ptp -83.8 12.38 6.11 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -172.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 16.82 -92.48 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.381 1.472 . . . . 0.0 113.651 -168.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.21 63.43 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.972 0.891 . . . . 0.0 110.935 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m 59.64 29.72 19.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.571 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 57.17 33.86 23.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.701 0.763 . . . . 0.0 110.95 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -134.53 -0.17 2.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -172.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.02 169.26 42.37 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -171.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.91 179.34 4.83 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.546 -0.973 . . . . 0.0 111.156 -170.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.4 t -110.52 114.47 27.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.657 0.741 . . . . 0.0 111.557 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.65 75.26 2.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.889 0.852 . . . . 0.0 110.726 170.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -69.25 148.98 49.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.108 0.956 . . . . 0.0 111.233 -170.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -144.13 179.8 6.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.234 -170.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mm -9.36 -101.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 114.077 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.2 34.01 5.15 Favored Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.676 -0.64 . . . . 0.0 111.924 177.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -169.46 2.25 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.777 -0.837 . . . . 0.0 111.017 170.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -136.35 170.54 15.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.073 0.939 . . . . 0.0 110.998 168.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -137.13 -176.11 4.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.759 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.6 m -125.29 141.95 51.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.226 1.012 . . . . 0.0 111.937 -173.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.8 p -104.9 82.57 1.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.033 0.92 . . . . 0.0 109.702 168.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.13 127.9 34.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.08 0.943 . . . . 0.0 111.88 -169.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 m-30 -49.74 156.12 1.29 Allowed Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 121.874 0.845 . . . . 0.0 110.756 170.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -62.28 108.95 0.75 Allowed 'Trans proline' 0 N--CA 1.531 3.693 1 C-N-CA 126.479 4.786 . . . . 0.0 114.639 -174.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.69 -4.46 8.61 Favored Glycine 0 C--O 1.243 0.693 0 O-C-N 120.841 -1.162 . . . . 0.0 112.368 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -129.82 164.01 25.03 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.14 -1.212 . . . . 0.0 110.893 -177.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.61 176.44 12.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.331 1.062 . . . . 0.0 112.216 -176.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.04 151.24 27.02 Favored Glycine 0 N--CA 1.46 0.3 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -170.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -44.39 -36.37 9.46 Favored 'Trans proline' 0 N--CA 1.528 3.518 1 C-N-CA 126.263 4.642 . . . . 0.0 114.961 175.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -108.86 18.58 20.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.142 0.496 . . . . 0.0 111.865 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 m 45.17 36.97 2.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.913 0.863 . . . . 0.0 110.789 -170.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.39 0.91 43.98 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -173.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -122.65 139.52 53.85 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.305 -0.872 . . . . 0.0 110.845 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.1 t -111.98 152.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -70.53 -4.48 23.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.271 2.212 0 CA-C-O 121.841 0.829 . . . . 0.0 111.827 170.751 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 52.8 m . . . . . 0 CA--C 1.511 -0.525 0 CA-C-O 121.659 0.742 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.53 -173.95 3.53 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.703 0.763 . . . . 0.0 111.187 170.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.416 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 8.9 p -152.66 -110.35 0.04 OUTLIER 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.219 171.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.29 109.46 12.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.252 1.025 . . . . 0.0 111.077 -169.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.21 -176.81 4.07 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.146 0.974 . . . . 0.0 110.259 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -25.69 47.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.933 -169.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -71.98 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 111.7 167.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 t 63.94 -102.83 0.1 Allowed 'General case' 0 C--N 1.318 -0.789 0 O-C-N 120.132 -1.605 . . . . 0.0 110.437 -172.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.8 m -115.81 57.64 0.75 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 110.978 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.31 30.14 1.43 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.253 -0.904 . . . . 0.0 111.435 -170.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 53.73 48.91 20.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.788 0.804 . . . . 0.0 111.169 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.63 14.11 2.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.203 171.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.81 172.19 45.08 Favored Glycine 0 C--N 1.32 -0.344 0 CA-C-O 122.088 0.827 . . . . 0.0 111.816 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.1 138.19 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.009 0.909 . . . . 0.0 111.298 -171.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.2 t -76.39 128.15 34.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.628 0.728 . . . . 0.0 111.447 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mt -118.3 73.74 0.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.051 0.929 . . . . 0.0 110.518 171.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -45.88 133.79 8.29 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.351 0.66 . . . . 0.0 111.864 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 p -117.8 -166.5 1.21 Allowed 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.51 -0.744 . . . . 0.0 110.88 170.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.6 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -169.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.73 20.24 0.17 Allowed Glycine 0 N--CA 1.464 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.942 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 173.34 118.21 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.648 -0.913 . . . . 0.0 110.983 -172.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 3' ' ' SER . 10.4 p90 -81.06 168.39 18.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 122.61 1.195 . . . . 0.0 111.87 -175.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -138.21 143.17 40.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.855 -176.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -96.31 135.49 38.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.424 1.107 . . . . 0.0 112.115 -168.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 p -103.84 81.9 1.93 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.829 0.823 . . . . 0.0 110.365 169.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.88 136.27 40.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.249 1.023 . . . . 0.0 111.863 -170.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.61 162.88 53.33 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.947 170.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -54.92 125.12 18.07 Favored 'Trans proline' 0 N--CA 1.533 3.809 1 C-N-CA 126.286 4.657 . . . . 0.0 114.535 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.87 8.4 39.63 Favored Glycine 0 C--O 1.24 0.53 0 O-C-N 120.702 -1.249 . . . . 0.0 112.041 174.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -138.91 155.23 48.22 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.507 -0.996 . . . . 0.0 111.153 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -155.78 175.51 13.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.301 1.048 . . . . 0.0 111.714 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.98 161.14 28.59 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 -170.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.69 -2.19 4.99 Favored 'Trans proline' 0 N--CA 1.529 3.582 1 C-N-CA 126.053 4.502 . . . . 0.0 116.235 -176.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.12 21.82 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.19 -0.944 . . . . 0.0 111.196 170.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.26 52.91 11.52 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.303 -0.873 . . . . 0.0 110.715 -170.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -92.98 -31.59 14.84 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.407 0.623 . . . . 0.0 111.568 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -104.86 139.7 39.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.754 0.788 . . . . 0.0 110.784 -171.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -112.05 145.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.769 0.795 . . . . 0.0 111.299 -171.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.12 167.16 20.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.664 0.745 . . . . 0.0 111.268 171.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.27 2.157 0 CA-C-O 122.282 1.039 . . . . 0.0 111.333 172.082 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.325 0.583 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.91 -34.44 0.01 OUTLIER 'General case' 0 C--O 1.251 1.151 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -171.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -178.53 -75.41 0.01 OUTLIER 'General case' 0 C--O 1.248 1.006 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.525 -170.343 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.9 t -159.99 131.14 5.84 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 120.662 -1.274 . . . . 0.0 112.235 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.93 -169.49 1.53 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.856 0.836 . . . . 0.0 110.673 170.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.09 -51.18 70.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.506 -170.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 29.3 mtt -116.81 48.23 1.33 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.027 -174.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.44 123.09 4.54 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.207 1.004 . . . . 0.0 112.265 170.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 m 67.06 48.59 1.21 Allowed 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 168.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 74.3 8.33 4.57 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.24 -0.913 . . . . 0.0 112.439 170.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt 60.06 40.6 18.37 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.126 -0.984 . . . . 0.0 110.914 -170.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -137.75 20.83 2.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.589 0.709 . . . . 0.0 110.944 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.74 163.21 28.13 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -170.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.37 -173.39 2.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.234 1.016 . . . . 0.0 111.493 -170.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.96 124.23 51.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.427 0.632 . . . . 0.0 110.778 -174.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.33 115.76 30.74 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.779 -0.576 . . . . 0.0 111.393 169.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -102.98 134.48 46.36 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.836 1.303 . . . . 0.0 110.42 -169.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -134.19 -170.18 2.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.951 1.358 . . . . 0.0 112.399 -166.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.42 0.1 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -167.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.75 32.4 0.09 OUTLIER Glycine 0 N--CA 1.463 0.438 0 O-C-N 121.5 -0.75 . . . . 0.0 112.266 171.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.84 178.47 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.834 0.826 . . . . 0.0 110.648 -175.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.414 ' CG ' ' O ' ' A' ' 3' ' ' SER . 1.4 p90 -123.77 167.77 13.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 123.084 1.421 . . . . 0.0 113.439 169.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.0 p -117.67 -166.1 1.16 Allowed 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.709 167.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.2 m -114.72 148.21 38.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.422 1.106 . . . . 0.0 111.972 170.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.0 p -115.58 83.75 1.98 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.943 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -49.28 142.52 7.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.874 0.845 . . . . 0.0 111.899 -169.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -62.65 157.42 58.05 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 121.547 0.689 . . . . 0.0 110.464 172.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -57.45 102.27 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.69 1 C-N-CA 126.486 4.791 . . . . 0.0 114.795 -174.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.43 9.37 Favored Glycine 0 C--O 1.242 0.609 0 O-C-N 120.8 -1.187 . . . . 0.0 111.631 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -138.82 149.81 45.34 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.411 -1.052 . . . . 0.0 111.244 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.41 156.22 20.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.206 1.003 . . . . 0.0 111.62 -173.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.63 160.32 13.8 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -170.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -42.96 -31.23 2.16 Favored 'Trans proline' 0 N--CA 1.528 3.523 1 C-N-CA 126.309 4.673 . . . . 0.0 115.118 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -127.54 21.44 6.56 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 121.759 -0.588 . . . . 0.0 111.821 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.425 -0.797 . . . . 0.0 110.984 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -91.78 -24.81 19.3 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.749 -0.594 . . . . 0.0 112.055 -170.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -98.42 158.37 15.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.661 0.743 . . . . 0.0 110.981 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.4 t -125.48 142.77 41.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.011 0.91 . . . . 0.0 111.069 -171.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.72 -174.03 2.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.754 0.787 . . . . 0.0 111.086 172.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.27 2.17 0 CA-C-O 122.034 0.921 . . . . 0.0 111.011 171.087 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.702 0.763 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.53 -92.02 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.493 0.664 . . . . 0.0 111.6 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -119.03 122.53 42.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.475 1.131 . . . . 0.0 111.159 -169.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -26.7 131.89 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 125.463 1.505 . . . . 0.0 113.22 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -137.62 -93.8 0.21 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.358 0.599 . . . . 0.0 112.31 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.04 -39.05 7.91 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.389 -0.819 . . . . 0.0 110.845 -170.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 ttm -120.32 53.02 1.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.65 0.738 . . . . 0.0 111.49 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.96 103.06 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.683 0.754 . . . . 0.0 111.774 169.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m 51.43 50.29 19.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.256 173.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m 67.45 23.86 8.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.224 0.535 . . . . 0.0 111.589 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 45.74 45.91 11.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.82 0.819 . . . . 0.0 110.986 -171.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -136.85 20.27 3.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.252 0.549 . . . . 0.0 111.812 -170.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.72 162.68 28.65 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-O 122.163 0.868 . . . . 0.0 111.653 -170.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.46 126.37 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.81 0.815 . . . . 0.0 111.247 -171.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.84 129.14 38.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 111.466 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -117.15 75.19 0.96 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.183 0.992 . . . . 0.0 110.58 170.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 127.94 34.91 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.553 1.168 . . . . 0.0 111.379 -170.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 p -104.62 -173.88 2.41 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.997 0.919 . . . . 0.0 110.767 171.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.02 115.94 8.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.72 0.771 . . . . 0.0 110.748 171.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.04 31.08 78.32 Favored Glycine 0 C--O 1.239 0.427 0 O-C-N 121.968 -0.458 . . . . 0.0 112.251 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 173.85 -179.21 0.09 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.844 -0.798 . . . . 0.0 110.968 170.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.21 178.32 7.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.86 1.314 . . . . 0.0 112.763 169.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -138.13 138.3 38.53 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.037 170.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 m -97.82 126.43 43.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.858 0.837 . . . . 0.0 111.146 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.9 p -96.92 81.7 3.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.885 0.85 . . . . 0.0 110.654 170.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.49 139.68 36.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.261 1.029 . . . . 0.0 111.409 -170.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -53.01 156.4 3.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 122.007 0.908 . . . . 0.0 111.185 171.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -66.84 111.38 2.16 Favored 'Trans proline' 0 N--CA 1.531 3.711 1 C-N-CA 126.533 4.822 . . . . 0.0 114.565 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.16 -12.02 8.1 Favored Glycine 0 C--O 1.242 0.617 0 O-C-N 120.705 -1.247 . . . . 0.0 112.588 -170.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.18 153.28 49.6 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.264 -1.139 . . . . 0.0 110.877 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.57 172.43 17.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.232 1.015 . . . . 0.0 111.469 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.81 159.87 26.66 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.97 -24.5 2.26 Favored 'Trans proline' 0 N--CA 1.528 3.549 1 C-N-CA 126.33 4.687 . . . . 0.0 115.168 -177.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.78 20.12 4.62 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.494 -0.753 . . . . 0.0 111.608 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 45.72 48.72 11.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.223 1.011 . . . . 0.0 110.473 -169.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.38 -26.78 14.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -171.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -106.91 148.84 28.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.816 0.817 . . . . 0.0 110.7 -177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -108.99 145.85 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.447 0.642 . . . . 0.0 110.734 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -70.94 -126.65 0.0 OUTLIER 'General case' 0 C--O 1.245 0.849 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.473 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.269 2.095 0 O-C-N 121.085 -1.009 . . . . 0.0 111.861 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.487 0.661 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.14 -71.99 0.14 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.803 0.811 . . . . 0.0 111.141 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 22' ' ' TYR . 20.7 m -167.05 -58.97 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.562 0.696 . . . . 0.0 112.847 -168.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.5 t -49.56 100.79 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.44 1.114 . . . . 0.0 112.257 -169.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -166.63 1.27 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.184 170.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -48.78 -65.85 0.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.317 1.056 . . . . 0.0 111.891 -170.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.8 41.51 1.11 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 111.105 -172.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -40.28 118.22 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.177 -0.952 . . . . 0.0 113.048 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 m 50.93 45.84 27.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.719 0.771 . . . . 0.0 111.486 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.36 36.62 20.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.321 0.581 . . . . 0.0 111.678 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 51.56 27.14 3.69 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.875 0.845 . . . . 0.0 111.322 173.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -129.79 28.17 5.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.549 0.69 . . . . 0.0 111.325 -170.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.87 158.05 13.15 Favored Glycine 0 N--CA 1.462 0.41 0 CA-C-O 121.873 0.707 . . . . 0.0 111.48 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -98.77 132.33 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.669 0.747 . . . . 0.0 111.252 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -70.28 119.55 14.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 122.363 1.077 . . . . 0.0 111.68 175.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -102.71 77.3 1.58 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.658 1.218 . . . . 0.0 110.115 170.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.82 156.77 36.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.613 1.197 . . . . 0.0 112.916 -168.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 p -146.33 -176.82 5.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.875 0.845 . . . . 0.0 110.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mm -77.84 9.26 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.941 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.75 20.8 0.11 Allowed Glycine 0 N--CA 1.463 0.496 0 O-C-N 121.445 -0.784 . . . . 0.0 112.423 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 164.43 -179.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.671 -0.9 . . . . 0.0 110.663 -170.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CG ' ' CB ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -127.87 178.34 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 123.425 1.583 . . . . 0.0 113.051 169.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -137.95 135.94 36.51 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.832 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.3 m -98.49 128.2 44.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.169 0.985 . . . . 0.0 111.192 -171.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.4 p -96.74 84.01 3.54 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.714 0.768 . . . . 0.0 110.966 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.5 m -57.9 124.42 19.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.958 0.885 . . . . 0.0 110.948 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -51.28 159.41 1.11 Allowed Pre-proline 0 CA--C 1.51 -0.559 0 CA-C-O 121.707 0.765 . . . . 0.0 110.74 170.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.72 120.61 8.06 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.128 4.552 . . . . 0.0 114.436 -174.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.73 -2.0 36.26 Favored Glycine 0 C--O 1.24 0.521 0 O-C-N 120.729 -1.232 . . . . 0.0 111.773 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.11 161.07 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.469 -1.018 . . . . 0.0 110.645 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -155.56 175.87 13.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.356 1.074 . . . . 0.0 111.942 -178.591 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.52 150.5 25.39 Favored Glycine 0 N--CA 1.462 0.391 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -170.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.18 -29.29 1.07 Allowed 'Trans proline' 0 N--CA 1.53 3.619 1 C-N-CA 126.255 4.637 . . . . 0.0 115.177 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -126.31 22.35 7.15 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.615 -0.678 . . . . 0.0 111.848 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.012 0.91 . . . . 0.0 110.617 -170.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.47 17.21 24.56 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -138.39 140.25 39.29 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.351 -0.843 . . . . 0.0 111.227 171.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -101.15 136.15 34.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 0.0 110.794 176.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -50.12 132.4 23.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.683 0.754 . . . . 0.0 111.115 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 . . . . . 0 C--O 1.27 2.153 0 CA-C-O 121.99 0.9 . . . . 0.0 111.072 176.352 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 121.556 0.693 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.81 -96.26 0.03 OUTLIER 'General case' 0 C--O 1.243 0.715 0 C-N-CA 123.325 0.65 . . . . 0.0 112.075 171.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.494 ' CB ' ' CG ' ' A' ' 17' ' ' GLU . 83.5 p -138.25 123.68 19.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.61 1.195 . . . . 0.0 113.581 -167.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 35.31 89.54 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.135 1.774 . . . . 0.0 114.025 168.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -127.16 -154.12 0.61 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.681 -0.637 . . . . 0.0 109.838 168.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -69.43 0.13 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.387 1.089 . . . . 0.0 111.928 -171.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 ttp -92.11 48.63 1.44 Allowed 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.311 -0.868 . . . . 0.0 112.16 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.12 108.87 0.85 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.049 0.928 . . . . 0.0 110.638 170.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.39 42.9 31.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 111.589 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.09 29.78 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.67 0.748 . . . . 0.0 111.096 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt 43.58 42.6 4.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.587 0.708 . . . . 0.0 111.396 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.42 16.17 3.42 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.2 38.91 Favored Glycine 0 N--CA 1.463 0.437 0 O-C-N 121.479 -0.763 . . . . 0.0 111.259 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -98.34 139.11 34.59 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.633 -0.922 . . . . 0.0 111.799 -170.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 128.86 33.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.018 0.913 . . . . 0.0 111.293 -176.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.15 75.4 0.93 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.938 0.875 . . . . 0.0 110.428 169.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' CG ' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -66.56 153.88 41.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.675 1.226 . . . . 0.0 112.36 -169.166 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.0 p -143.89 -176.12 4.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.685 -170.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.53 108.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 0.0 110.721 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.55 82.25 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 173.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -177.08 176.55 1.38 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.56 1.171 . . . . 0.0 111.301 172.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.15 157.53 44.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.299 1.047 . . . . 0.0 111.28 170.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.1 p -118.97 170.64 8.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.735 170.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 m -118.3 140.72 49.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.659 1.219 . . . . 0.0 112.416 174.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.3 p -103.84 78.19 1.53 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.48 167.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.25 133.68 28.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.55 0.69 . . . . 0.0 111.379 -169.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -52.96 163.42 0.85 Allowed Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.807 0.813 . . . . 0.0 110.762 -177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.05 104.68 0.6 Allowed 'Trans proline' 0 N--CA 1.53 3.647 1 C-N-CA 126.615 4.877 . . . . 0.0 114.484 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.66 -15.75 6.63 Favored Glycine 0 C--O 1.242 0.607 0 O-C-N 120.884 -1.135 . . . . 0.0 112.449 -172.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -126.01 163.68 22.5 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.246 -1.149 . . . . 0.0 110.748 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.95 177.62 6.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.868 0.842 . . . . 0.0 111.27 -174.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.45 162.11 37.62 Favored Glycine 0 C--N 1.321 -0.285 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -171.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.88 -57.66 1.63 Allowed 'Trans proline' 0 N--CA 1.528 3.512 1 C-N-CA 126.481 4.787 . . . . 0.0 114.989 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -99.77 22.34 11.18 Favored 'General case' 0 C--O 1.242 0.675 0 O-C-N 121.663 -0.648 . . . . 0.0 111.338 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 54.07 48.92 19.98 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.217 -0.927 . . . . 0.0 110.521 -170.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -83.48 -21.8 32.72 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.247 -177.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.26 145.18 27.55 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.634 -175.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.67 138.32 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -71.72 -118.92 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.124 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.271 2.195 0 CA-C-O 121.909 0.861 . . . . 0.0 110.725 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 39.7 p . . . . . 0 CA--C 1.513 -0.465 0 CA-C-O 121.962 0.887 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 25.32 91.13 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 125.762 1.625 . . . . 0.0 114.055 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -121.33 -165.44 1.23 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.669 0.747 . . . . 0.0 111.442 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.51 -52.22 55.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.015 0.912 . . . . 0.0 111.306 -170.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -111.23 59.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.635 0.731 . . . . 0.0 111.499 178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.542 0.687 . . . . 0.0 111.501 169.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.39 62.95 1.35 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.947 0.879 . . . . 0.0 110.981 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.88 24.88 14.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.487 0.661 . . . . 0.0 111.323 -173.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp 44.62 47.7 8.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.928 0.87 . . . . 0.0 111.233 -171.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 3.2 tt0 -133.87 29.28 3.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.067 0.937 . . . . 0.0 111.353 -173.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.6 170.5 36.44 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.66 145.05 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.052 0.929 . . . . 0.0 111.109 -172.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.27 131.97 37.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.613 0.721 . . . . 0.0 110.984 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.43 77.36 1.05 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.179 0.99 . . . . 0.0 110.673 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 22' ' ' TYR . 1.5 mt-10 -56.23 163.48 1.62 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.617 1.198 . . . . 0.0 112.019 -170.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.8 -170.66 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.796 -170.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -65.51 -4.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -171.569 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.68 31.16 0.07 OUTLIER Glycine 0 C--N 1.319 -0.403 0 N-CA-C 110.724 -0.951 . . . . 0.0 110.724 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -168.35 -154.93 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.93 -0.747 . . . . 0.0 110.607 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.453 ' CB ' ' HA ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -160.8 -179.69 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.55 1.167 . . . . 0.0 112.461 169.357 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 p -137.09 -163.96 1.51 Allowed 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.49 169.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.1 m -136.05 131.48 34.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.41 1.1 . . . . 0.0 111.936 -170.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 p -105.56 86.53 2.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.883 0.849 . . . . 0.0 110.775 170.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.93 130.66 38.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.939 0.876 . . . . 0.0 111.702 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 20.3 m-85 -51.89 156.43 2.52 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 121.829 0.824 . . . . 0.0 111.012 171.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 91.0 Cg_endo -72.73 102.83 1.47 Allowed 'Trans proline' 0 N--CA 1.531 3.735 1 C-N-CA 126.214 4.609 . . . . 0.0 114.701 -178.239 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.96 -22.59 3.6 Favored Glycine 0 C--N 1.318 -0.436 0 O-C-N 120.818 -1.176 . . . . 0.0 110.712 -169.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 13.9 m-85 -114.65 167.62 10.59 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.895 -0.768 . . . . 0.0 111.106 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.403 ' CE1' ' HG2' ' A' ' 39' ' ' ARG . 2.1 p90 -159.86 177.66 10.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.223 1.011 . . . . 0.0 111.779 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.9 159.66 30.56 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -170.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.3 -0.08 2.61 Favored 'Trans proline' 0 N--CA 1.53 3.631 1 C-N-CA 125.985 4.457 . . . . 0.0 116.3 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.37 18.87 2.75 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.274 -0.891 . . . . 0.0 111.346 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 49.83 10.56 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.791 0.805 . . . . 0.0 111.251 -171.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.81 -10.67 21.54 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -104.81 163.84 12.21 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.349 -0.844 . . . . 0.0 110.936 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.42 137.88 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 111.014 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 1.2 mtm105 . . . . . 0 C--N 1.32 -0.705 0 CA-C-O 121.547 0.689 . . . . 0.0 111.07 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 33.2 p . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 123.191 1.472 . . . . 0.0 111.784 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 30.25 89.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 126.142 1.777 . . . . 0.0 114.061 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -106.28 -130.62 0.29 Allowed 'General case' 0 C--O 1.25 1.092 0 O-C-N 121.915 -0.49 . . . . 0.0 110.163 169.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.2 -39.36 10.13 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.889 -1.132 . . . . 0.0 110.571 -169.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.62 42.41 1.18 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.402 171.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.19 117.42 0.98 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.421 -0.799 . . . . 0.0 111.552 169.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 40.93 75.77 0.08 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.363 0.602 . . . . 0.0 111.378 -170.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.45 -96.45 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.247 0.619 . . . . 0.0 111.189 -174.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -166.3 32.21 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.339 1.066 . . . . 0.0 110.728 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -8.81 8.26 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.708 -0.62 . . . . 0.0 112.438 -173.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 26' ' ' CYS . . . -157.39 172.3 34.77 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-O 122.313 0.952 . . . . 0.0 112.271 -170.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -105.91 -177.99 3.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.739 0.781 . . . . 0.0 111.149 -171.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.97 139.97 45.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.69 0.757 . . . . 0.0 111.848 -170.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 25' ' ' SER . 7.6 mt -128.0 68.62 1.33 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.358 1.075 . . . . 0.0 110.347 169.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 0.4 OUTLIER -54.18 163.28 0.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.331 1.062 . . . . 0.0 111.526 -170.549 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -145.31 -177.04 5.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.473 0.654 . . . . 0.0 110.665 -170.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -170.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.61 29.42 0.19 Allowed Glycine 0 C--N 1.317 -0.521 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.95 -160.59 0.06 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 110.749 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.2 163.35 40.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.583 1.183 . . . . 0.0 111.979 170.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 p -124.55 -179.01 4.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.668 170.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -127.76 128.81 45.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.236 1.017 . . . . 0.0 112.12 -170.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.607 ' HB3' HD11 ' A' ' 16' ' ' LEU . 19.3 p -103.75 76.34 1.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.99 0.9 . . . . 0.0 109.429 169.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . 56.3 m -70.27 152.89 43.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.596 1.189 . . . . 0.0 112.613 -168.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.413 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 3.5 m-30 -59.33 152.65 52.62 Favored Pre-proline 0 CA--C 1.51 -0.584 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.472 170.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 43.7 Cg_endo -61.95 118.26 5.13 Favored 'Trans proline' 0 N--CA 1.533 3.804 1 C-N-CA 126.038 4.492 . . . . 0.0 114.514 -174.235 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.523 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 106.59 21.91 8.02 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.682 -1.261 . . . . 0.0 111.796 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -138.81 151.42 47.03 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.499 -1.001 . . . . 0.0 111.18 170.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.1 171.9 19.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.32 1.057 . . . . 0.0 112.005 -172.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.58 161.07 25.01 Favored Glycine 0 N--CA 1.46 0.269 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -170.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -43.96 -52.3 5.65 Favored 'Trans proline' 0 N--CA 1.528 3.529 1 C-N-CA 126.309 4.672 . . . . 0.0 114.838 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -100.38 19.97 15.69 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.279 0.561 . . . . 0.0 111.551 172.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m 46.38 40.67 8.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.029 0.918 . . . . 0.0 110.678 -168.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.02 20.49 4.22 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.899 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -133.44 141.4 47.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.907 0.861 . . . . 0.0 110.749 170.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.27 138.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.422 0.629 . . . . 0.0 110.459 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.523 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 10.5 mtp180 . . . . . 0 C--N 1.319 -0.737 0 CA-C-O 121.779 0.8 . . . . 0.0 111.566 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.574 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 93.8 p . . . . . 0 C--O 1.242 0.674 0 CA-C-O 121.009 0.433 . . . . 0.0 111.62 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.442 ' HB3' ' HB3' ' A' ' 8' ' ' SER . 53.6 m -87.1 143.45 27.31 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.264 -0.897 . . . . 0.0 111.57 -169.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.69 -163.48 1.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.496 0.665 . . . . 0.0 110.903 171.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.12 -54.4 10.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.255 1.026 . . . . 0.0 111.057 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -99.3 68.56 1.64 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 170.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -44.19 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.01 0.433 . . . . 0.0 112.139 171.164 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 m -122.63 46.69 2.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.518 0.675 . . . . 0.0 111.359 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m 66.03 26.09 10.86 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.612 -0.68 . . . . 0.0 111.242 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt 47.74 35.88 5.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.031 0.92 . . . . 0.0 111.0 -173.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.51 ' NE2' ' CD1' ' A' ' 30' ' ' PHE . 6.1 tt0 -133.24 30.1 3.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.303 0.573 . . . . 0.0 111.698 -177.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.427 ' HA2' ' CD1' ' A' ' 27' ' ' TYR . . . 177.78 164.26 30.85 Favored Glycine 0 N--CA 1.462 0.388 0 CA-C-O 122.014 0.785 . . . . 0.0 111.19 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -99.99 150.03 22.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.945 0.878 . . . . 0.0 111.325 -170.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -72.96 140.67 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.15 0.976 . . . . 0.0 111.81 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.021 HD11 ' HB3' ' A' ' 25' ' ' SER . 9.3 mt -131.86 71.06 1.46 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.918 0.866 . . . . 0.0 111.001 170.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.574 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 12.7 mp0 -63.9 152.86 38.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.042 0.925 . . . . 0.0 110.958 -171.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -139.63 -171.27 3.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.43 0.633 . . . . 0.0 110.76 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.17 102.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.838 0.828 . . . . 0.0 110.885 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.13 36.64 92.15 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 171.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 178.81 -167.74 0.08 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.899 0.857 . . . . 0.0 111.101 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.524 ' CG ' ' HA ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -151.15 170.64 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.539 1.161 . . . . 0.0 112.378 170.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -132.95 -171.17 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.627 170.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 m -127.64 150.85 49.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.575 1.178 . . . . 0.0 111.787 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 1.021 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.2 p -109.19 78.59 1.15 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.036 169.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.9 m -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.81 0.814 . . . . 0.0 111.67 -170.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.427 ' CD1' ' HA2' ' A' ' 13' ' ' GLY . 13.6 m-30 -51.68 158.48 1.56 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 121.867 0.841 . . . . 0.0 111.279 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -57.47 107.18 0.28 Allowed 'Trans proline' 0 N--CA 1.532 3.744 1 C-N-CA 126.479 4.786 . . . . 0.0 114.741 175.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.13 -17.87 5.08 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.805 -1.184 . . . . 0.0 112.305 -173.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 8.5 m-85 -129.07 169.89 14.17 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.364 -1.08 . . . . 0.0 110.996 -173.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 26.6 p90 -164.04 177.93 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.269 1.033 . . . . 0.0 112.033 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.84 152.54 25.68 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -170.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -44.8 -36.02 10.26 Favored 'Trans proline' 0 N--CA 1.528 3.525 1 C-N-CA 126.436 4.757 . . . . 0.0 115.117 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.61 20.55 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.892 -0.505 . . . . 0.0 111.306 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 47.53 42.02 14.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.231 1.015 . . . . 0.0 110.618 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -84.36 -11.35 56.46 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.529 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 51.9 m-85 -111.49 155.92 22.49 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.325 -0.86 . . . . 0.0 110.689 175.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -126.81 143.19 41.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.027 0.917 . . . . 0.0 111.02 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 121.794 0.807 . . . . 0.0 110.935 171.191 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 122.786 1.279 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -76.09 137.31 40.07 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.791 -171.212 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.98 125.05 34.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.182 -170.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t70 30.24 -85.77 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.019 1.728 . . . . 0.0 113.926 -171.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.454 ' HG2' ' HE3' ' A' ' 11' ' ' LYS . 2.1 mtt -80.1 24.49 0.42 Allowed 'General case' 0 C--O 1.253 1.272 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -168.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 p 55.07 -163.78 0.13 Allowed 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.655 -1.278 . . . . 0.0 112.613 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.59 80.47 4.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.49 0.662 . . . . 0.0 111.295 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m 46.49 34.46 2.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.434 0.635 . . . . 0.0 111.027 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HE3' ' HG2' ' A' ' 7' ' ' MET . 2.8 mtmp? 58.37 36.98 25.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.739 0.781 . . . . 0.0 110.983 171.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -137.97 22.35 2.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.165 0.507 . . . . 0.0 111.739 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.64 155.96 13.84 Favored Glycine 0 C--N 1.32 -0.313 0 CA-C-O 122.326 0.959 . . . . 0.0 111.759 -171.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.11 121.2 42.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.782 0.801 . . . . 0.0 111.861 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.764 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 20.1 m -73.53 136.75 44.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 123.025 1.393 . . . . 0.0 111.57 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.461 ' C ' ' HB3' ' A' ' 22' ' ' TYR . 15.1 mt -134.66 111.02 9.66 Favored 'General case' 0 C--O 1.258 1.516 0 C-N-CA 123.888 0.875 . . . . 0.0 112.556 -166.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.722 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -102.3 145.39 29.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 127.056 3.313 . . . . 0.0 115.827 -166.554 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -120.36 -160.96 0.86 Allowed 'General case' 0 C--O 1.246 0.911 0 C-N-CA 127.256 2.222 . . . . 0.0 110.693 -163.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -11.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -171.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.38 40.43 0.09 OUTLIER Glycine 0 C--O 1.243 0.663 0 CA-C-N 116.52 -0.309 . . . . 0.0 112.628 170.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.17 143.31 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 O-C-N 121.512 -0.993 . . . . 0.0 111.262 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.764 ' CD2' ' HB3' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -106.37 165.04 11.55 Favored 'General case' 0 C--N 1.356 0.856 1 CA-C-O 129.494 4.473 . . . . 0.0 115.073 170.368 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -121.83 -165.05 1.21 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 111.551 -2.568 . . . . 0.0 111.062 -167.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.4 m -123.85 129.87 51.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.79 1.281 . . . . 0.0 113.509 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -109.26 84.98 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.089 0.947 . . . . 0.0 110.399 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.29 128.5 37.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.437 1.113 . . . . 0.0 111.384 -170.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 8.5 m-85 -43.63 160.28 0.22 Allowed Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 122.228 1.013 . . . . 0.0 111.697 170.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 30.9 Cg_endo -76.64 26.08 0.44 Allowed 'Trans proline' 0 N--CA 1.533 3.832 1 C-N-CA 126.684 4.923 . . . . 0.0 116.905 -177.447 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . -137.91 16.22 3.5 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 121.37 -0.831 . . . . 0.0 111.485 168.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -139.53 170.14 16.46 Favored 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.55 -0.971 . . . . 0.0 111.096 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -164.43 171.39 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.936 1.35 . . . . 0.0 112.512 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.3 148.44 23.12 Favored Glycine 0 N--CA 1.462 0.38 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -43.68 -26.13 1.11 Allowed 'Trans proline' 0 N--CA 1.53 3.635 1 C-N-CA 126.148 4.565 . . . . 0.0 115.605 -177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.53 20.37 8.69 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.548 -0.72 . . . . 0.0 111.029 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 44.45 53.01 7.22 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.951 0.882 . . . . 0.0 110.677 -169.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 10.4 pt-20 -101.36 4.62 41.68 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 8.7 m-85 -116.16 136.21 53.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.215 -0.928 . . . . 0.0 110.74 171.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 137.06 41.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.415 0.626 . . . . 0.0 110.692 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.515 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 64.0 mtp180 . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 121.528 0.68 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.517 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . 4.0 p . . . . . 0 C--O 1.242 0.683 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 134.98 47.19 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.199 -0.938 . . . . 0.0 112.053 -166.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -136.75 -109.78 0.19 Allowed 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.714 169.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -109.08 -47.55 3.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 122.118 0.961 . . . . 0.0 109.836 -170.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.49 37.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.137 170.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -35.01 110.79 0.1 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.723 0.773 . . . . 0.0 112.883 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.5 m 64.78 41.81 4.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.384 0.611 . . . . 0.0 111.45 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 m 53.04 35.88 20.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 111.53 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.06 39.33 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.022 0.915 . . . . 0.0 111.345 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.42 ' C ' ' CD2' ' A' ' 27' ' ' TYR . 1.3 mt-30 -136.33 23.14 3.22 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.67 -0.644 . . . . 0.0 111.765 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.483 ' N ' ' CE2' ' A' ' 27' ' ' TYR . . . 169.65 159.61 15.87 Favored Glycine 0 N--CA 1.461 0.356 0 CA-C-O 121.995 0.775 . . . . 0.0 111.382 -171.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -102.8 141.0 36.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.715 0.769 . . . . 0.0 111.196 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.49 142.02 57.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.733 1.254 . . . . 0.0 110.729 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.8 mt -120.73 67.36 0.85 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.527 1.156 . . . . 0.0 109.757 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 3' ' ' SER . 1.8 tm-20 -53.34 126.06 19.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.19 0.995 . . . . 0.0 111.751 -169.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 p -105.93 -164.0 0.98 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.644 -0.66 . . . . 0.0 110.793 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -36.94 -90.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 124.729 1.212 . . . . 0.0 113.229 -175.383 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -111.98 50.35 0.78 Allowed Glycine 0 C--N 1.316 -0.577 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 171.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.96 -166.64 0.43 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.932 0.872 . . . . 0.0 111.158 170.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.517 ' CD1' ' HA ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -148.35 174.4 12.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.454 1.121 . . . . 0.0 112.31 170.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 p -137.9 158.43 44.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.015 170.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.3 134.09 42.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.169 0.985 . . . . 0.0 111.794 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.2 p -104.8 81.64 1.78 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.997 0.903 . . . . 0.0 110.59 169.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.9 127.5 31.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.94 0.876 . . . . 0.0 111.807 -170.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CE2' ' N ' ' A' ' 13' ' ' GLY . 34.0 m-85 -52.69 155.31 4.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 122.036 0.922 . . . . 0.0 111.966 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -52.41 104.66 0.1 OUTLIER 'Trans proline' 0 N--CA 1.529 3.611 1 C-N-CA 126.748 4.966 . . . . 0.0 115.15 174.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.584 ' HA2' ' HD3' ' A' ' 39' ' ' ARG . . . 136.09 -21.24 3.52 Favored Glycine 0 C--O 1.24 0.494 0 O-C-N 120.837 -1.165 . . . . 0.0 111.603 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HD1' HG22 ' A' ' 38' ' ' VAL . 7.2 m-85 -132.36 166.65 21.47 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.432 -1.04 . . . . 0.0 111.378 -169.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 11.4 p90 -162.04 176.12 11.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.078 0.942 . . . . 0.0 111.649 176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.02 155.12 26.98 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -171.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.27 -12.61 10.71 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.085 4.523 . . . . 0.0 115.816 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -126.76 19.07 7.27 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.278 -0.889 . . . . 0.0 111.311 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m 41.75 45.63 3.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.931 0.872 . . . . 0.0 111.102 -169.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 9.9 pt-20 -95.96 -5.45 41.27 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -173.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.4 m-85 -106.14 155.49 19.39 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.278 -0.889 . . . . 0.0 110.761 171.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 ' HD1' ' A' ' 30' ' ' PHE . 39.9 t -125.49 141.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.192 0.996 . . . . 0.0 111.411 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HD3' ' HA2' ' A' ' 29' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.301 171.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 94.6 p . . . . . 0 C--O 1.244 0.815 0 CA-C-O 120.724 0.297 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.78 135.45 16.26 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.847 -1.158 . . . . 0.0 111.992 -167.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.58 -155.22 0.56 Allowed 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.034 170.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -58.94 5.32 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.443 1.116 . . . . 0.0 111.588 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.0 35.42 0.98 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 112.267 -171.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 134.9 57.25 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.17 -0.956 . . . . 0.0 111.192 170.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.21 37.63 4.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.2 0.524 . . . . 0.0 111.282 -171.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.92 -164.85 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.334 0.588 . . . . 0.0 110.711 -172.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -96.14 47.45 1.09 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.56 1.172 . . . . 0.0 110.727 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -116.47 -34.42 4.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.628 0.728 . . . . 0.0 111.725 171.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.4 156.44 25.18 Favored Glycine 0 N--CA 1.463 0.473 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.92 159.23 16.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.769 1.271 . . . . 0.0 112.347 -170.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' C ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -83.79 139.63 32.57 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.014 0.911 . . . . 0.0 111.52 -170.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.619 HD12 ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -127.78 78.96 1.86 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 170.551 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 7.1 tm-20 -66.54 145.07 56.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.306 1.05 . . . . 0.0 110.7 175.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.4 p -146.81 -170.64 3.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.868 -170.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 20' ' ' GLY . 8.7 mt -27.63 -93.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 125.571 1.548 . . . . 0.0 113.691 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.537 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -114.62 47.64 1.02 Allowed Glycine 0 C--N 1.317 -0.511 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.599 175.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 174.07 176.23 0.14 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.586 0.708 . . . . 0.0 110.985 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 1.8 p90 -127.85 177.29 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.182 0.992 . . . . 0.0 112.261 171.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.619 ' OG1' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -137.92 -167.33 2.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.748 0.785 . . . . 0.0 111.366 -175.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.8 m -134.4 145.93 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.918 0.866 . . . . 0.0 111.068 169.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.559 ' N ' HD21 ' A' ' 16' ' ' LEU . 11.8 p -112.04 78.89 1.16 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 110.518 169.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.7 121.44 7.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.552 0.691 . . . . 0.0 110.762 -175.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.508 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 9.4 m-30 -53.37 168.67 0.36 Allowed Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 122.23 1.014 . . . . 0.0 111.147 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.508 ' CD ' ' HB3' ' A' ' 27' ' ' TYR . 4.2 Cg_exo -78.52 29.11 0.46 Allowed 'Trans proline' 0 N--CA 1.529 3.577 1 C-N-CA 127.956 5.77 . . . . 0.0 116.074 -174.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.442 ' HA2' ' HD2' ' A' ' 39' ' ' ARG . . . -134.86 5.64 4.38 Favored Glycine 0 C--O 1.24 0.523 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 170.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -139.02 -172.12 3.25 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.418 -1.048 . . . . 0.0 111.27 -169.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 178.69 176.9 0.49 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.94 0.876 . . . . 0.0 111.28 170.319 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.62 155.89 26.48 Favored Glycine 0 C--N 1.32 -0.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -170.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -44.1 -37.95 10.18 Favored 'Trans proline' 0 N--CA 1.528 3.517 1 C-N-CA 126.237 4.625 . . . . 0.0 114.908 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -114.28 20.98 15.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.732 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.87 40.35 8.92 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.347 -0.845 . . . . 0.0 110.771 -170.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.458 ' HG3' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -82.51 -9.5 59.39 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.871 -0.518 . . . . 0.0 112.28 -174.364 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CD2' ' HG3' ' A' ' 36' ' ' GLU . 87.9 m-85 -119.81 136.08 54.61 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.41 -0.806 . . . . 0.0 110.464 -175.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.6 146.87 12.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.555 0.693 . . . . 0.0 110.736 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HD2' ' HA2' ' A' ' 29' ' ' GLY . 56.6 mtt180 . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.766 0.793 . . . . 0.0 111.264 -170.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 24.6 p . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 123.335 1.54 . . . . 0.0 110.666 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t 40.7 80.92 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.996 1.318 . . . . 0.0 113.69 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.19 -164.09 0.98 Allowed 'General case' 0 C--N 1.318 -0.796 0 O-C-N 121.679 -0.638 . . . . 0.0 110.241 168.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.55 -62.42 0.88 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.46 1.124 . . . . 0.0 112.62 -170.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -118.54 60.74 0.79 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.59 1.662 . . . . 0.0 110.078 -178.682 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -37.98 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.163 -0.96 . . . . 0.0 112.859 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.12 68.63 0.67 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.701 0.762 . . . . 0.0 110.573 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p 56.85 -157.09 0.28 Allowed 'General case' 0 C--O 1.241 0.651 0 O-C-N 121.864 -0.522 . . . . 0.0 109.841 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -116.44 50.98 1.0 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.582 1.182 . . . . 0.0 110.412 170.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 5.0 mt-30 -133.4 13.38 4.16 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.205 176.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.66 161.98 34.3 Favored Glycine 0 C--N 1.319 -0.366 0 O-C-N 121.4 -0.812 . . . . 0.0 111.64 -170.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.12 -179.32 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.068 0.937 . . . . 0.0 111.375 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 120.87 42.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.488 0.661 . . . . 0.0 110.484 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.56 68.91 1.86 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.535 1.159 . . . . 0.0 110.423 170.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 0.3 OUTLIER -65.5 121.46 14.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.088 0.947 . . . . 0.0 111.746 -169.843 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 p -98.36 -169.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.049 0.928 . . . . 0.0 111.32 -174.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -73.76 2.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -170.223 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.99 30.02 0.12 Allowed Glycine 0 C--N 1.319 -0.362 0 O-C-N 121.162 -0.961 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 178.95 -168.88 0.09 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.818 -0.813 . . . . 0.0 110.636 -170.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -148.86 168.55 22.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.491 1.138 . . . . 0.0 112.432 168.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.9 p -135.58 -173.17 3.28 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.721 169.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -134.53 128.18 32.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.274 1.035 . . . . 0.0 112.247 -170.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -100.71 90.34 4.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.604 0.716 . . . . 0.0 110.179 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -56.53 127.86 33.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.141 0.972 . . . . 0.0 111.303 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -47.32 163.31 0.26 Allowed Pre-proline 0 C--N 1.321 -0.644 0 CA-C-O 121.958 0.885 . . . . 0.0 111.315 171.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -67.82 109.84 1.99 Allowed 'Trans proline' 0 N--CA 1.531 3.718 1 C-N-CA 126.49 4.793 . . . . 0.0 114.51 -174.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 110.12 -8.57 31.22 Favored Glycine 0 C--O 1.24 0.493 0 O-C-N 120.804 -1.185 . . . . 0.0 111.509 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' ' HG2' ' A' ' 12' ' ' GLN . 16.7 m-85 -110.83 151.19 28.12 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.463 -1.022 . . . . 0.0 110.687 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.76 -174.42 4.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.117 0.96 . . . . 0.0 111.64 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.31 151.35 27.36 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -39.25 -29.38 0.21 Allowed 'Trans proline' 0 N--CA 1.528 3.545 1 C-N-CA 126.321 4.681 . . . . 0.0 115.215 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -133.33 23.24 4.08 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.621 -0.674 . . . . 0.0 111.474 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.35 57.76 5.52 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.215 -0.928 . . . . 0.0 110.542 -170.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -103.04 -3.76 25.52 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.713 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 7.6 m-85 -125.26 155.76 39.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.928 0.871 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -111.04 131.51 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.677 0.751 . . . . 0.0 110.636 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.517 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 16.5 mtp180 . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 121.978 0.894 . . . . 0.0 113.157 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 17.6 p . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.901 0.858 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 t -109.16 132.52 54.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.211 1.005 . . . . 0.0 110.331 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -133.48 -174.87 3.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.951 0.881 . . . . 0.0 110.751 -169.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.25 -53.63 33.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.253 1.025 . . . . 0.0 110.709 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -126.97 74.91 1.53 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 124.543 2.116 . . . . 0.0 110.173 174.084 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -47.62 -73.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 120.644 -1.285 . . . . 0.0 111.159 170.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.9 m -112.86 51.1 0.84 Allowed 'General case' 0 C--O 1.241 0.64 0 O-C-N 121.363 -0.836 . . . . 0.0 111.632 -171.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.72 27.29 16.04 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.186 -0.947 . . . . 0.0 111.849 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? 48.65 40.5 15.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.923 0.868 . . . . 0.0 111.118 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.491 ' NE2' ' CE1' ' A' ' 30' ' ' PHE . 2.1 tt0 -132.33 24.74 4.49 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.759 0.79 . . . . 0.0 111.125 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 27' ' ' TYR . . . 167.52 160.66 15.35 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -167.27 1.48 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.996 -0.708 . . . . 0.0 110.804 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 118.34 30.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.419 0.628 . . . . 0.0 110.361 -175.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -95.6 66.48 2.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.748 1.261 . . . . 0.0 110.467 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 1.8 tt0 -59.31 123.96 18.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.977 -170.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -97.4 -170.08 1.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.66 0.743 . . . . 0.0 110.955 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -77.76 4.2 1.36 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -170.483 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.52 27.68 0.2 Allowed Glycine 0 N--CA 1.462 0.397 0 O-C-N 121.282 -0.886 . . . . 0.0 111.634 171.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 177.14 -167.12 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.902 -0.763 . . . . 0.0 110.507 -171.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.451 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -148.09 174.5 11.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.746 1.26 . . . . 0.0 112.191 167.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 -164.37 1.58 Allowed 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.356 168.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.6 132.91 53.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.164 0.983 . . . . 0.0 111.766 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.4 p -105.07 87.33 2.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.617 0.722 . . . . 0.0 110.253 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -51.93 129.84 27.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.1 0.952 . . . . 0.0 111.583 -170.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CD1' ' HA2' ' A' ' 13' ' ' GLY . 16.5 m-30 -54.91 160.97 2.57 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.822 0.82 . . . . 0.0 110.658 172.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -62.25 100.02 0.21 Allowed 'Trans proline' 0 N--CA 1.531 3.686 1 C-N-CA 126.045 4.497 . . . . 0.0 114.375 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.65 -2.34 5.67 Favored Glycine 0 C--O 1.242 0.635 0 O-C-N 120.977 -1.077 . . . . 0.0 112.803 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CE1' ' NE2' ' A' ' 12' ' ' GLN . 34.9 m-85 -138.8 149.37 44.88 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.392 1.096 . . . . 0.0 111.521 -169.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -153.86 177.97 10.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.895 0.855 . . . . 0.0 111.404 -179.509 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.7 155.66 31.7 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -170.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.36 -28.53 8.45 Favored 'Trans proline' 0 N--CA 1.526 3.422 1 C-N-CA 126.223 4.615 . . . . 0.0 114.759 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -118.1 18.52 13.83 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 112.275 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 45.61 37.4 3.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.791 0.805 . . . . 0.0 111.033 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 8.5 pt-20 -97.65 19.95 12.69 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.896 -171.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 11.0 m-85 -137.48 153.37 50.07 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.199 -0.938 . . . . 0.0 111.196 171.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.4 t -87.52 144.08 9.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.856 0.836 . . . . 0.0 110.391 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.848 0 CA-C-O 121.929 0.871 . . . . 0.0 112.661 -170.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.481 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 1.2 t . . . . . 0 C--O 1.242 0.664 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 11.9 t -173.15 119.98 0.34 Allowed 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.491 -0.756 . . . . 0.0 110.796 174.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -134.97 -108.2 0.22 Allowed 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.696 -0.628 . . . . 0.0 112.375 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -104.76 -55.1 2.39 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.364 1.078 . . . . 0.0 110.789 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.21 34.93 0.92 Allowed 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.637 -0.665 . . . . 0.0 112.205 170.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.43 100.39 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.48 -0.762 . . . . 0.0 111.177 170.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HG3' ' A' ' 34' ' ' GLU . 3.7 m 57.95 61.9 2.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.857 0.836 . . . . 0.0 111.664 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 28.1 t 59.0 -90.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.697 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.32 36.25 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.508 1.146 . . . . 0.0 110.887 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.503 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 1.3 mt-30 -132.39 10.92 4.49 Favored 'General case' 0 C--O 1.242 0.692 0 O-C-N 121.652 -0.655 . . . . 0.0 112.685 -170.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.05 166.04 35.52 Favored Glycine 0 N--CA 1.462 0.373 0 CA-C-O 122.01 0.783 . . . . 0.0 111.981 -170.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.36 -174.37 2.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 110.872 -172.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 4' ' ' CYS . 3.1 m -121.78 116.32 24.26 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.627 0.727 . . . . 0.0 111.531 -171.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 25' ' ' SER . 0.2 OUTLIER -110.46 79.32 1.19 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.945 0.878 . . . . 0.0 110.829 171.132 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' CA ' ' A' ' 3' ' ' SER . 1.1 mp0 -71.68 137.8 48.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.77 1.272 . . . . 0.0 111.743 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.3 p -112.0 -169.72 1.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.655 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 20' ' ' GLY . 3.4 mp -16.32 -96.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.059 1.744 . . . . 0.0 113.633 170.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -120.43 52.62 0.72 Allowed Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 170.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.15 -160.98 0.34 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.028 -0.69 . . . . 0.0 110.863 173.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.481 ' HB3' ' CA ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -149.19 169.48 20.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 123.454 1.597 . . . . 0.0 113.708 169.368 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -120.53 -166.02 1.27 Allowed 'General case' 0 C--O 1.244 0.776 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.093 168.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 m -135.46 151.82 50.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.682 1.23 . . . . 0.0 112.329 170.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HD11 ' A' ' 16' ' ' LEU . 61.3 p -112.09 82.61 1.66 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.806 168.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.4 m -51.82 134.41 31.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.942 0.877 . . . . 0.0 111.487 -170.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 12.0 m-30 -56.05 158.06 7.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.869 0.842 . . . . 0.0 110.932 173.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 87.5 Cg_endo -72.01 96.06 0.77 Allowed 'Trans proline' 0 N--CA 1.53 3.63 1 C-N-CA 126.2 4.6 . . . . 0.0 114.743 -178.723 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.4 -23.59 2.2 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 120.989 -1.069 . . . . 0.0 111.365 -169.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 7.5 m-85 -123.79 159.69 28.97 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.611 -0.935 . . . . 0.0 110.641 -171.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -155.98 179.75 8.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.91 0.862 . . . . 0.0 111.331 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.11 156.26 28.04 Favored Glycine 0 C--N 1.319 -0.369 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.98 -32.52 4.65 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.222 4.614 . . . . 0.0 114.975 175.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' ' HA ' ' A' ' 9' ' ' CYS . 29.8 tt0 -117.31 19.07 14.26 Favored 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.882 -0.511 . . . . 0.0 112.074 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m 45.37 35.66 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.314 -0.866 . . . . 0.0 111.146 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -17.17 39.96 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -170.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.89 167.43 10.09 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.42 -0.8 . . . . 0.0 110.763 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 30' ' ' PHE . 48.4 t -124.6 149.69 29.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.89 0.853 . . . . 0.0 111.024 -172.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 121.425 0.631 . . . . 0.0 111.034 177.07 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.4 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 21.0 p . . . . . 0 CA--C 1.511 -0.547 0 CA-C-O 121.381 0.61 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 13.9 t -96.88 54.53 1.29 Allowed 'General case' 0 C--O 1.243 0.762 0 CA-C-O 122.373 1.082 . . . . 0.0 113.025 -168.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 7' ' ' MET . 7.2 tt0 -138.95 177.33 7.97 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.922 -1.111 . . . . 0.0 110.942 170.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 36.17 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 125.72 1.608 . . . . 0.0 113.387 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 5' ' ' GLN . 2.1 ttm -93.69 46.53 1.19 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.41 90.62 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.837 0.827 . . . . 0.0 112.25 169.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 m 41.6 45.91 3.0 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 123.433 0.693 . . . . 0.0 112.35 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m 64.04 32.19 13.05 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.515 -0.74 . . . . 0.0 111.011 171.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.46 47.23 14.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.69 0.757 . . . . 0.0 111.595 -176.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 35.5 tt0 -137.73 20.26 2.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.296 0.569 . . . . 0.0 112.021 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.45 -178.07 46.39 Favored Glycine 0 C--N 1.32 -0.335 0 O-C-N 121.433 -0.792 . . . . 0.0 111.353 -171.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.13 172.19 7.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -126.51 107.6 10.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.799 0.809 . . . . 0.0 110.823 -170.116 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.0 mt -102.3 91.23 4.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.51 0.671 . . . . 0.0 111.221 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.4 160.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.456 1.122 . . . . 0.0 111.035 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.607 HG21 HG23 ' A' ' 23' ' ' THR . 21.2 p -159.08 -171.83 3.53 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.68 0.752 . . . . 0.0 110.704 -169.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.84 116.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.891 0.853 . . . . 0.0 111.322 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.91 22.39 57.43 Favored Glycine 0 C--O 1.24 0.516 0 O-C-N 121.894 -0.504 . . . . 0.0 112.112 171.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.94 -177.42 0.1 Allowed 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.623 -0.928 . . . . 0.0 111.057 -171.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.4 ' CE2' ' O ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -125.19 -174.92 3.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.822 0.82 . . . . 0.0 110.709 166.815 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.607 HG23 HG21 ' A' ' 18' ' ' THR . 80.6 p -136.28 -175.25 3.93 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.956 -0.465 . . . . 0.0 110.717 170.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.2 m -131.89 129.43 40.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.35 1.072 . . . . 0.0 112.387 -171.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -104.98 81.98 1.8 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.931 0.872 . . . . 0.0 109.607 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.0 m -50.52 146.6 5.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 112.333 -169.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -62.58 166.17 7.86 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.944 0.878 . . . . 0.0 110.876 170.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -65.13 103.27 0.49 Allowed 'Trans proline' 0 N--CA 1.53 3.654 1 C-N-CA 126.736 4.958 . . . . 0.0 114.469 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.12 -18.64 5.0 Favored Glycine 0 C--O 1.241 0.561 0 O-C-N 120.854 -1.154 . . . . 0.0 112.324 -171.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 5.2 m-85 -128.68 164.32 23.19 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.288 -1.125 . . . . 0.0 110.803 -174.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.87 160.98 14.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.115 0.96 . . . . 0.0 111.494 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.62 154.62 13.96 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -171.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -44.93 -32.05 5.99 Favored 'Trans proline' 0 N--CA 1.529 3.617 1 C-N-CA 126.282 4.655 . . . . 0.0 115.012 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -117.76 18.55 14.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.309 0.576 . . . . 0.0 112.045 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.3 m 46.74 39.51 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.915 0.865 . . . . 0.0 111.454 -171.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -9.66 48.21 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -102.95 134.83 45.73 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.295 -0.878 . . . . 0.0 110.775 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.94 138.55 32.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.992 0.901 . . . . 0.0 110.991 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 . . . . . 0 C--N 1.321 -0.65 0 CA-C-O 121.732 0.777 . . . . 0.0 110.988 -172.942 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 66.5 m . . . . . 0 CA--C 1.515 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 111.7 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m 28.25 80.53 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.985 1.314 . . . . 0.0 113.023 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -100.4 -165.59 1.23 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.002 0.906 . . . . 0.0 110.876 176.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -54.33 22.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.293 1.044 . . . . 0.0 110.375 -176.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt -111.86 61.75 0.62 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.164 170.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -31.45 -87.98 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 124.718 1.207 . . . . 0.0 113.354 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 67.4 1.28 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.656 0.741 . . . . 0.0 110.544 -174.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 t 61.01 -85.01 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.193 0.521 . . . . 0.0 110.588 -170.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 40.84 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.608 1.194 . . . . 0.0 110.687 169.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.415 ' NE2' ' CD1' ' A' ' 30' ' ' PHE . 43.6 mt-30 -120.23 -18.6 7.96 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.592 -173.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.16 170.5 36.25 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-O 122.195 0.886 . . . . 0.0 111.677 -176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -110.38 165.3 11.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.515 1.15 . . . . 0.0 111.736 -170.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.85 143.84 31.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 123.003 1.383 . . . . 0.0 112.241 -170.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 25' ' ' SER . 3.9 mt -130.42 71.34 1.46 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.463 1.125 . . . . 0.0 109.866 169.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' HB3' ' A' ' 3' ' ' SER . 0.0 OUTLIER -52.68 137.47 31.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.137 1.446 . . . . 0.0 113.176 -167.66 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -115.67 -170.58 1.81 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.091 0.948 . . . . 0.0 111.502 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mm -69.9 -5.03 4.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.48 24.21 0.24 Allowed Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.71 -0.619 . . . . 0.0 111.624 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.11 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.798 -0.825 . . . . 0.0 110.169 -170.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.453 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -138.69 164.27 29.97 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.682 1.229 . . . . 0.0 111.678 167.436 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -117.43 177.95 4.56 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.22 168.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -130.71 131.17 44.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.081 0.943 . . . . 0.0 111.612 -171.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.585 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.0 p -96.77 84.36 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.193 0.997 . . . . 0.0 109.946 169.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.4 m -62.37 124.98 22.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.062 0.934 . . . . 0.0 110.988 -170.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -48.32 161.57 0.38 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 122.017 0.913 . . . . 0.0 110.905 171.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.2 110.6 0.81 Allowed 'Trans proline' 0 N--CA 1.529 3.616 1 C-N-CA 126.266 4.644 . . . . 0.0 114.469 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 128.27 -4.64 6.77 Favored Glycine 0 C--O 1.241 0.593 0 O-C-N 120.925 -1.109 . . . . 0.0 112.379 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.415 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 16.4 m-85 -132.91 169.08 17.29 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.219 -1.165 . . . . 0.0 111.051 -172.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.434 ' CE1' ' HB3' ' A' ' 37' ' ' TYR . 6.7 p90 -166.75 177.55 6.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.066 0.936 . . . . 0.0 111.337 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.99 151.12 27.56 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -170.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -44.08 -44.37 12.4 Favored 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.276 4.651 . . . . 0.0 114.912 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -99.95 20.31 14.59 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.809 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 44.11 31.61 0.56 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.256 -0.903 . . . . 0.0 110.418 -168.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.26 17.33 6.15 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.046 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 20.1 m-85 -131.4 116.58 17.72 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.292 -0.88 . . . . 0.0 110.805 170.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -94.6 153.57 3.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.523 0.678 . . . . 0.0 110.713 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.515 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 3.6 mtp-105 . . . . . 0 C--O 1.245 0.82 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.993 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 p . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 122.375 1.083 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t -79.48 146.29 32.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.193 1.473 . . . . 0.0 114.128 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.95 -178.86 5.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.285 1.04 . . . . 0.0 109.961 167.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 -170.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.478 ' HB3' ' CG ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -124.95 53.43 1.49 Allowed 'General case' 0 C--O 1.243 0.751 0 CA-C-O 121.389 0.614 . . . . 0.0 112.358 -175.466 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -63.73 143.39 57.88 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.188 0.994 . . . . 0.0 111.103 169.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' SER . 27.6 m 89.93 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 125.416 1.487 . . . . 0.0 112.515 169.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 1.1 m 144.29 11.25 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 125.196 1.398 . . . . 0.0 114.593 -167.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 28.5 mttt 73.26 12.67 4.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.361 1.437 . . . . 0.0 111.636 175.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -135.34 32.9 3.08 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.366 -0.834 . . . . 0.0 110.668 168.82 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.27 147.63 10.47 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-O 122.23 0.906 . . . . 0.0 111.283 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -166.63 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.412 1.101 . . . . 0.0 111.55 -170.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 123.46 49.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.459 0.704 . . . . 0.0 111.076 -170.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 25' ' ' SER . 0.6 OUTLIER -99.82 107.21 19.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.947 0.88 . . . . 0.0 111.835 170.384 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 108.91 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.4 1.095 . . . . 0.0 111.478 -167.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.9 p -95.06 -174.19 3.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.761 0.791 . . . . 0.0 111.225 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 mm -73.07 107.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.777 0.799 . . . . 0.0 111.092 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.23 68.79 Favored Glycine 0 C--N 1.32 -0.336 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.53 175.06 0.25 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.978 -0.719 . . . . 0.0 110.996 171.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -141.61 -177.79 5.34 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.125 0.964 . . . . 0.0 112.928 170.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -134.9 -163.77 1.42 Allowed 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.666 -0.646 . . . . 0.0 111.007 171.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.11 132.44 56.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.486 1.136 . . . . 0.0 111.847 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.516 ' HB3' HD23 ' A' ' 16' ' ' LEU . 87.4 p -110.13 84.94 2.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.873 0.844 . . . . 0.0 110.476 170.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -53.45 144.25 17.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.796 0.808 . . . . 0.0 111.397 -170.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -71.8 164.38 58.82 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 122.153 0.977 . . . . 0.0 111.136 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -61.14 97.01 0.12 Allowed 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.549 4.832 . . . . 0.0 114.363 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.85 -7.94 5.19 Favored Glycine 0 N--CA 1.463 0.488 0 O-C-N 120.998 -1.064 . . . . 0.0 112.982 -171.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 2.6 m-85 -138.15 140.41 39.85 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.503 -0.998 . . . . 0.0 111.312 -167.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -150.17 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.794 1.283 . . . . 0.0 112.486 -178.711 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 148.25 18.35 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -42.47 -31.78 2.01 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.228 4.619 . . . . 0.0 115.01 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.57 20.94 12.28 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.637 -0.664 . . . . 0.0 111.496 -177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.24 45.78 13.11 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.071 0.939 . . . . 0.0 110.258 -169.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 2.9 pt-20 -97.01 5.61 50.12 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.325 -172.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.488 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 12.2 m-85 -131.94 156.14 46.7 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.196 -0.94 . . . . 0.0 111.43 170.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.01 140.42 17.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.49 0.662 . . . . 0.0 109.705 169.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 31' ' ' TYR . 1.7 ptt85 . . . . . 0 C--N 1.315 -0.919 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -168.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.609 ' HB3' ' CD1' ' A' ' 22' ' ' TYR . 38.3 t . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 121.301 0.572 . . . . 0.0 111.739 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.99 134.77 13.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.737 1.256 . . . . 0.0 111.382 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -133.58 156.95 46.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.58 170.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -17.58 0.73 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 112.413 -171.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.86 -67.71 0.65 Allowed 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.32 0.581 . . . . 0.0 111.971 168.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 85.67 -157.03 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.816 0 O-C-N 119.996 -1.69 . . . . 0.0 110.05 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.78 78.83 7.52 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 121.509 -0.744 . . . . 0.0 112.491 -169.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m 52.71 30.11 8.37 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.55 -0.719 . . . . 0.0 112.057 -171.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt 49.23 34.84 6.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.615 1.198 . . . . 0.0 110.854 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.436 HE22 HG22 ' A' ' 38' ' ' VAL . 4.0 tt0 -133.98 25.71 3.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.727 0.775 . . . . 0.0 110.825 -171.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.43 157.86 14.23 Favored Glycine 0 C--N 1.32 -0.354 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -98.08 138.59 35.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.033 -171.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 134.91 53.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.963 0.887 . . . . 0.0 110.752 171.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 16' ' ' LEU . 5.4 mt -113.92 83.81 1.93 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.383 1.087 . . . . 0.0 110.36 170.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -74.63 104.95 5.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.545 1.164 . . . . 0.0 111.169 -170.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 p -98.58 -169.88 1.86 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.41 1.1 . . . . 0.0 111.713 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.43 115.85 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.948 0.88 . . . . 0.0 111.069 171.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 28.23 60.57 Favored Glycine 0 N--CA 1.462 0.399 0 O-C-N 121.872 -0.518 . . . . 0.0 112.783 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 170.98 172.74 0.07 Allowed 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.985 -0.715 . . . . 0.0 110.775 170.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CD1' ' HB3' ' A' ' 3' ' ' SER . 0.0 OUTLIER -127.2 -171.85 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.873 1.32 . . . . 0.0 112.613 170.69 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.3 p -135.44 -168.62 2.23 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.405 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.7 m -127.92 124.05 36.42 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.389 -0.819 . . . . 0.0 110.585 170.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -96.62 74.59 2.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.838 0.828 . . . . 0.0 110.662 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -54.0 137.77 38.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.675 0.75 . . . . 0.0 111.231 -170.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 23.9 m-85 -46.11 158.9 0.35 Allowed Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.367 0.603 . . . . 0.0 110.051 170.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 10.2 Cg_endo -86.02 48.7 2.11 Favored 'Trans proline' 0 N--CA 1.533 3.813 1 C-N-CA 126.153 4.569 . . . . 0.0 117.097 -172.591 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.37 22.15 0.22 Allowed Glycine 0 N--CA 1.465 0.57 0 O-C-N 121.123 -0.986 . . . . 0.0 111.598 166.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CE1' HG13 ' A' ' 38' ' ' VAL . 13.9 m-85 -138.54 168.95 18.67 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.67 -0.9 . . . . 0.0 111.271 -171.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 39' ' ' ARG . 1.7 p90 -163.14 169.68 18.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.412 1.101 . . . . 0.0 112.552 -173.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.99 152.48 26.71 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -170.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -40.66 -26.69 0.25 Allowed 'Trans proline' 0 N--CA 1.53 3.645 1 C-N-CA 126.509 4.806 . . . . 0.0 115.629 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -125.19 21.63 8.0 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.487 -0.758 . . . . 0.0 111.851 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 46.23 13.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.001 0.905 . . . . 0.0 110.434 -170.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CD ' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -96.07 -18.51 20.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 -172.721 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' CD ' ' A' ' 36' ' ' GLU . 97.9 m-85 -102.12 118.81 37.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.775 0.798 . . . . 0.0 110.478 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.677 HG13 ' CE1' ' A' ' 30' ' ' PHE . 2.8 t -86.67 148.83 4.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.504 171.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 170.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.438 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 16.7 p . . . . . 0 CA--C 1.512 -0.511 0 CA-C-O 122.147 0.975 . . . . 0.0 112.935 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 85.49 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 124.941 1.296 . . . . 0.0 112.413 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.67 -159.34 0.73 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.331 170.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.76 -56.09 24.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.259 1.028 . . . . 0.0 110.823 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 ptp -83.8 12.38 6.11 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -172.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 16.82 -92.48 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.381 1.472 . . . . 0.0 113.651 -168.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.21 63.43 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.972 0.891 . . . . 0.0 110.935 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m 59.64 29.72 19.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.571 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 57.17 33.86 23.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.701 0.763 . . . . 0.0 110.95 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.462 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 1.3 tt0 -134.53 -0.17 2.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -172.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.02 169.26 42.37 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -171.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.91 179.34 4.83 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.546 -0.973 . . . . 0.0 111.156 -170.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.4 t -110.52 114.47 27.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.657 0.741 . . . . 0.0 111.557 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 25' ' ' SER . 6.6 mt -98.65 75.26 2.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.889 0.852 . . . . 0.0 110.726 170.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 8.8 tm-20 -69.25 148.98 49.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.108 0.956 . . . . 0.0 111.233 -170.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -144.13 179.8 6.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.234 -170.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 20' ' ' GLY . 49.1 mm -9.36 -101.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 114.077 170.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -114.2 34.01 5.15 Favored Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.676 -0.64 . . . . 0.0 111.924 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -161.74 -169.46 2.25 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.777 -0.837 . . . . 0.0 111.017 170.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.438 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 2.2 p90 -136.35 170.54 15.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.073 0.939 . . . . 0.0 110.998 168.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -137.13 -176.11 4.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.759 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.6 m -125.29 141.95 51.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.226 1.012 . . . . 0.0 111.937 -173.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB3' HD11 ' A' ' 16' ' ' LEU . 59.8 p -104.9 82.57 1.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.033 0.92 . . . . 0.0 109.702 168.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.13 127.9 34.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.08 0.943 . . . . 0.0 111.88 -169.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 11.2 m-30 -49.74 156.12 1.29 Allowed Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 121.874 0.845 . . . . 0.0 110.756 170.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 55.7 Cg_endo -62.28 108.95 0.75 Allowed 'Trans proline' 0 N--CA 1.531 3.693 1 C-N-CA 126.479 4.786 . . . . 0.0 114.639 -174.79 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.69 -4.46 8.61 Favored Glycine 0 C--O 1.243 0.693 0 O-C-N 120.841 -1.162 . . . . 0.0 112.368 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.462 ' CE2' ' HG2' ' A' ' 12' ' ' GLN . 20.1 m-85 -129.82 164.01 25.03 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.14 -1.212 . . . . 0.0 110.893 -177.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.61 176.44 12.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.331 1.062 . . . . 0.0 112.216 -176.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.04 151.24 27.02 Favored Glycine 0 N--CA 1.46 0.3 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -170.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -44.39 -36.37 9.46 Favored 'Trans proline' 0 N--CA 1.528 3.518 1 C-N-CA 126.263 4.642 . . . . 0.0 114.961 175.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -108.86 18.58 20.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.142 0.496 . . . . 0.0 111.865 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 m 45.17 36.97 2.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.913 0.863 . . . . 0.0 110.789 -170.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.39 0.91 43.98 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -173.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -122.65 139.52 53.85 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.305 -0.872 . . . . 0.0 110.845 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.1 t -111.98 152.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.306 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.483 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 8.9 p . . . . . 0 C--O 1.244 0.77 0 CA-C-O 120.496 0.189 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.29 109.46 12.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.252 1.025 . . . . 0.0 111.077 -169.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.21 -176.81 4.07 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.146 0.974 . . . . 0.0 110.259 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -25.69 47.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.933 -169.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -71.98 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 111.7 167.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 t 63.94 -102.83 0.1 Allowed 'General case' 0 C--N 1.318 -0.789 0 O-C-N 120.132 -1.605 . . . . 0.0 110.437 -172.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.8 m -115.81 57.64 0.75 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 110.978 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.31 30.14 1.43 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.253 -0.904 . . . . 0.0 111.435 -170.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 53.73 48.91 20.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.788 0.804 . . . . 0.0 111.169 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.63 14.11 2.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.203 171.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.81 172.19 45.08 Favored Glycine 0 C--N 1.32 -0.344 0 CA-C-O 122.088 0.827 . . . . 0.0 111.816 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.1 138.19 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.009 0.909 . . . . 0.0 111.298 -171.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.2 t -76.39 128.15 34.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.628 0.728 . . . . 0.0 111.447 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 25' ' ' SER . 6.8 mt -118.3 73.74 0.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.051 0.929 . . . . 0.0 110.518 171.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 22' ' ' TYR . 4.1 tm-20 -45.88 133.79 8.29 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.351 0.66 . . . . 0.0 111.864 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 p -117.8 -166.5 1.21 Allowed 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.51 -0.744 . . . . 0.0 110.88 170.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.6 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -169.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.73 20.24 0.17 Allowed Glycine 0 N--CA 1.464 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.942 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 173.34 118.21 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.648 -0.913 . . . . 0.0 110.983 -172.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.491 ' CB ' ' HA ' ' A' ' 17' ' ' GLU . 10.4 p90 -81.06 168.39 18.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 122.61 1.195 . . . . 0.0 111.87 -175.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -138.21 143.17 40.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.855 -176.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -96.31 135.49 38.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.424 1.107 . . . . 0.0 112.115 -168.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.631 ' HB3' HD11 ' A' ' 16' ' ' LEU . 7.9 p -103.84 81.9 1.93 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.829 0.823 . . . . 0.0 110.365 169.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.88 136.27 40.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.249 1.023 . . . . 0.0 111.863 -170.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.61 162.88 53.33 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.947 170.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -54.92 125.12 18.07 Favored 'Trans proline' 0 N--CA 1.533 3.809 1 C-N-CA 126.286 4.657 . . . . 0.0 114.535 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.87 8.4 39.63 Favored Glycine 0 C--O 1.24 0.53 0 O-C-N 120.702 -1.249 . . . . 0.0 112.041 174.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -138.91 155.23 48.22 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.507 -0.996 . . . . 0.0 111.153 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 2.1 p90 -155.78 175.51 13.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.301 1.048 . . . . 0.0 111.714 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.98 161.14 28.59 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 -170.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.69 -2.19 4.99 Favored 'Trans proline' 0 N--CA 1.529 3.582 1 C-N-CA 126.053 4.502 . . . . 0.0 116.235 -176.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.12 21.82 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.19 -0.944 . . . . 0.0 111.196 170.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.26 52.91 11.52 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.303 -0.873 . . . . 0.0 110.715 -170.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -92.98 -31.59 14.84 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.407 0.623 . . . . 0.0 111.568 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 40.2 m-85 -104.86 139.7 39.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.754 0.788 . . . . 0.0 110.784 -171.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -112.05 145.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.769 0.795 . . . . 0.0 111.299 -171.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.664 0.745 . . . . 0.0 111.268 171.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.599 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 121.069 0.462 . . . . 0.0 111.525 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 44.9 t -159.99 131.14 5.84 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 120.662 -1.274 . . . . 0.0 112.235 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.93 -169.49 1.53 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.856 0.836 . . . . 0.0 110.673 170.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.09 -51.18 70.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.506 -170.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.492 ' HG2' ' CD ' ' A' ' 11' ' ' LYS . 29.3 mtt -116.81 48.23 1.33 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.027 -174.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.44 123.09 4.54 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.207 1.004 . . . . 0.0 112.265 170.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 m 67.06 48.59 1.21 Allowed 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 168.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 74.3 8.33 4.57 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.24 -0.913 . . . . 0.0 112.439 170.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' CD ' ' HG2' ' A' ' 7' ' ' MET . 22.2 mtmt 60.06 40.6 18.37 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.126 -0.984 . . . . 0.0 110.914 -170.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -137.75 20.83 2.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.589 0.709 . . . . 0.0 110.944 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.74 163.21 28.13 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -170.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.37 -173.39 2.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.234 1.016 . . . . 0.0 111.493 -170.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -114.96 124.23 51.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.427 0.632 . . . . 0.0 110.778 -174.554 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.33 115.76 30.74 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.779 -0.576 . . . . 0.0 111.393 169.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.599 ' HG2' ' CB ' ' A' ' 3' ' ' SER . 12.1 mp0 -102.98 134.48 46.36 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.836 1.303 . . . . 0.0 110.42 -169.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -134.19 -170.18 2.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.951 1.358 . . . . 0.0 112.399 -166.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -69.42 0.1 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -167.478 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.75 32.4 0.09 OUTLIER Glycine 0 N--CA 1.463 0.438 0 O-C-N 121.5 -0.75 . . . . 0.0 112.266 171.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 163.84 178.47 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.834 0.826 . . . . 0.0 110.648 -175.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.491 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 1.4 p90 -123.77 167.77 13.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 123.084 1.421 . . . . 0.0 113.439 169.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.0 p -117.67 -166.1 1.16 Allowed 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.709 167.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.2 m -114.72 148.21 38.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.422 1.106 . . . . 0.0 111.972 170.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.0 p -115.58 83.75 1.98 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.943 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -49.28 142.52 7.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.874 0.845 . . . . 0.0 111.899 -169.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 6.7 m-30 -62.65 157.42 58.05 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 121.547 0.689 . . . . 0.0 110.464 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 26.8 Cg_endo -57.45 102.27 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.69 1 C-N-CA 126.486 4.791 . . . . 0.0 114.795 -174.225 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.43 9.37 Favored Glycine 0 C--O 1.242 0.609 0 O-C-N 120.8 -1.187 . . . . 0.0 111.631 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -138.82 149.81 45.34 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.411 -1.052 . . . . 0.0 111.244 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -162.41 156.22 20.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.206 1.003 . . . . 0.0 111.62 -173.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.63 160.32 13.8 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -170.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -42.96 -31.23 2.16 Favored 'Trans proline' 0 N--CA 1.528 3.523 1 C-N-CA 126.309 4.673 . . . . 0.0 115.118 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -127.54 21.44 6.56 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 121.759 -0.588 . . . . 0.0 111.821 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.425 -0.797 . . . . 0.0 110.984 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 4.5 pt-20 -91.78 -24.81 19.3 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.749 -0.594 . . . . 0.0 112.055 -170.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 48.9 m-85 -98.42 158.37 15.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.661 0.743 . . . . 0.0 110.981 174.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.4 t -125.48 142.77 41.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.011 0.91 . . . . 0.0 111.069 -171.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HG2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.754 0.787 . . . . 0.0 111.086 172.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 122.475 1.131 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 1.8 p -26.7 131.89 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 125.463 1.505 . . . . 0.0 113.22 169.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -137.62 -93.8 0.21 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.358 0.599 . . . . 0.0 112.31 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.04 -39.05 7.91 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.389 -0.819 . . . . 0.0 110.845 -170.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 ttm -120.32 53.02 1.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.65 0.738 . . . . 0.0 111.49 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -42.96 103.06 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.683 0.754 . . . . 0.0 111.774 169.811 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m 51.43 50.29 19.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.256 173.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m 67.45 23.86 8.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.224 0.535 . . . . 0.0 111.589 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 45.74 45.91 11.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.82 0.819 . . . . 0.0 110.986 -171.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -136.85 20.27 3.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.252 0.549 . . . . 0.0 111.812 -170.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.72 162.68 28.65 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-O 122.163 0.868 . . . . 0.0 111.653 -170.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.46 126.37 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.81 0.815 . . . . 0.0 111.247 -171.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.84 129.14 38.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 111.466 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -117.15 75.19 0.96 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.183 0.992 . . . . 0.0 110.58 170.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 127.94 34.91 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.553 1.168 . . . . 0.0 111.379 -170.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 p -104.62 -173.88 2.41 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.997 0.919 . . . . 0.0 110.767 171.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.02 115.94 8.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.72 0.771 . . . . 0.0 110.748 171.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.04 31.08 78.32 Favored Glycine 0 C--O 1.239 0.427 0 O-C-N 121.968 -0.458 . . . . 0.0 112.251 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 173.85 -179.21 0.09 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.844 -0.798 . . . . 0.0 110.968 170.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.21 178.32 7.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.86 1.314 . . . . 0.0 112.763 169.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -138.13 138.3 38.53 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.037 170.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 m -97.82 126.43 43.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.858 0.837 . . . . 0.0 111.146 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.9 p -96.92 81.7 3.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.885 0.85 . . . . 0.0 110.654 170.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.49 139.68 36.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.261 1.029 . . . . 0.0 111.409 -170.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.412 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 24.2 m-85 -53.01 156.4 3.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 122.007 0.908 . . . . 0.0 111.185 171.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 72.5 Cg_endo -66.84 111.38 2.16 Favored 'Trans proline' 0 N--CA 1.531 3.711 1 C-N-CA 126.533 4.822 . . . . 0.0 114.565 -178.186 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.16 -12.02 8.1 Favored Glycine 0 C--O 1.242 0.617 0 O-C-N 120.705 -1.247 . . . . 0.0 112.588 -170.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.18 153.28 49.6 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.264 -1.139 . . . . 0.0 110.877 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.57 172.43 17.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.232 1.015 . . . . 0.0 111.469 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.81 159.87 26.66 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.97 -24.5 2.26 Favored 'Trans proline' 0 N--CA 1.528 3.549 1 C-N-CA 126.33 4.687 . . . . 0.0 115.168 -177.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.78 20.12 4.62 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.494 -0.753 . . . . 0.0 111.608 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 45.72 48.72 11.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.223 1.011 . . . . 0.0 110.473 -169.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 5.3 pt-20 -98.38 -26.78 14.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -171.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 10.9 m-85 -106.91 148.84 28.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.816 0.817 . . . . 0.0 110.7 -177.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -108.99 145.85 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.447 0.642 . . . . 0.0 110.734 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 . . . . . 0 C--O 1.245 0.849 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.473 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 22' ' ' TYR . 20.7 m . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.562 0.696 . . . . 0.0 112.847 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 32.5 t -49.56 100.79 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.44 1.114 . . . . 0.0 112.257 -169.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -166.63 1.27 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.184 170.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -48.78 -65.85 0.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.317 1.056 . . . . 0.0 111.891 -170.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.8 41.51 1.11 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 111.105 -172.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -40.28 118.22 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.177 -0.952 . . . . 0.0 113.048 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 m 50.93 45.84 27.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.719 0.771 . . . . 0.0 111.486 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.36 36.62 20.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.321 0.581 . . . . 0.0 111.678 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 51.56 27.14 3.69 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.875 0.845 . . . . 0.0 111.322 173.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -129.79 28.17 5.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.549 0.69 . . . . 0.0 111.325 -170.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.87 158.05 13.15 Favored Glycine 0 N--CA 1.462 0.41 0 CA-C-O 121.873 0.707 . . . . 0.0 111.48 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -98.77 132.33 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.669 0.747 . . . . 0.0 111.252 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 18.3 p -70.28 119.55 14.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 122.363 1.077 . . . . 0.0 111.68 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 25' ' ' SER . 4.9 mt -102.71 77.3 1.58 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.658 1.218 . . . . 0.0 110.115 170.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.82 156.77 36.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.613 1.197 . . . . 0.0 112.916 -168.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 p -146.33 -176.82 5.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.875 0.845 . . . . 0.0 110.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 19' ' ' ILE . 27.5 mm -77.84 9.26 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.941 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.75 20.8 0.11 Allowed Glycine 0 N--CA 1.463 0.496 0 O-C-N 121.445 -0.784 . . . . 0.0 112.423 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 164.43 -179.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.671 -0.9 . . . . 0.0 110.663 -170.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CG ' ' CB ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -127.87 178.34 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 123.425 1.583 . . . . 0.0 113.051 169.837 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -137.95 135.94 36.51 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.832 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.3 m -98.49 128.2 44.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.169 0.985 . . . . 0.0 111.192 -171.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.402 ' HB3' HD11 ' A' ' 16' ' ' LEU . 6.4 p -96.74 84.01 3.54 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.714 0.768 . . . . 0.0 110.966 173.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.5 m -57.9 124.42 19.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.958 0.885 . . . . 0.0 110.948 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -51.28 159.41 1.11 Allowed Pre-proline 0 CA--C 1.51 -0.559 0 CA-C-O 121.707 0.765 . . . . 0.0 110.74 170.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.72 120.61 8.06 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.128 4.552 . . . . 0.0 114.436 -174.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.486 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 106.73 -2.0 36.26 Favored Glycine 0 C--O 1.24 0.521 0 O-C-N 120.729 -1.232 . . . . 0.0 111.773 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.11 161.07 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.469 -1.018 . . . . 0.0 110.645 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -155.56 175.87 13.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.356 1.074 . . . . 0.0 111.942 -178.591 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.52 150.5 25.39 Favored Glycine 0 N--CA 1.462 0.391 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -170.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.18 -29.29 1.07 Allowed 'Trans proline' 0 N--CA 1.53 3.619 1 C-N-CA 126.255 4.637 . . . . 0.0 115.177 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -126.31 22.35 7.15 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.615 -0.678 . . . . 0.0 111.848 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.012 0.91 . . . . 0.0 110.617 -170.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.47 17.21 24.56 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 66.7 m-85 -138.39 140.25 39.29 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.351 -0.843 . . . . 0.0 111.227 171.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -101.15 136.15 34.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 0.0 110.794 176.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.486 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 54.8 mtp85 . . . . . 0 C--N 1.319 -0.72 0 CA-C-O 121.683 0.754 . . . . 0.0 111.115 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.534 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 83.5 p . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 122.61 1.195 . . . . 0.0 113.581 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 35.31 89.54 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.135 1.774 . . . . 0.0 114.025 168.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -127.16 -154.12 0.61 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.681 -0.637 . . . . 0.0 109.838 168.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -69.43 0.13 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.387 1.089 . . . . 0.0 111.928 -171.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 ttp -92.11 48.63 1.44 Allowed 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.311 -0.868 . . . . 0.0 112.16 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.12 108.87 0.85 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.049 0.928 . . . . 0.0 110.638 170.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.39 42.9 31.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 111.589 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.09 29.78 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.67 0.748 . . . . 0.0 111.096 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt 43.58 42.6 4.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.587 0.708 . . . . 0.0 111.396 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -135.42 16.17 3.42 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.693 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.2 38.91 Favored Glycine 0 N--CA 1.463 0.437 0 O-C-N 121.479 -0.763 . . . . 0.0 111.259 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -98.34 139.11 34.59 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.633 -0.922 . . . . 0.0 111.799 -170.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 128.86 33.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.018 0.913 . . . . 0.0 111.293 -176.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD12 ' OG1' ' A' ' 23' ' ' THR . 0.1 OUTLIER -115.15 75.4 0.93 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.938 0.875 . . . . 0.0 110.428 169.196 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HG3' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -66.56 153.88 41.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.675 1.226 . . . . 0.0 112.36 -169.166 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.0 p -143.89 -176.12 4.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.685 -170.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.53 108.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 0.0 110.721 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.55 82.25 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 173.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -177.08 176.55 1.38 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.56 1.171 . . . . 0.0 111.301 172.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.15 157.53 44.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.299 1.047 . . . . 0.0 111.28 170.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.458 ' OG1' HD12 ' A' ' 16' ' ' LEU . 49.1 p -118.97 170.64 8.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.735 170.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 m -118.3 140.72 49.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.659 1.219 . . . . 0.0 112.416 174.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.3 p -103.84 78.19 1.53 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.48 167.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.25 133.68 28.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.55 0.69 . . . . 0.0 111.379 -169.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -52.96 163.42 0.85 Allowed Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.807 0.813 . . . . 0.0 110.762 -177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.05 104.68 0.6 Allowed 'Trans proline' 0 N--CA 1.53 3.647 1 C-N-CA 126.615 4.877 . . . . 0.0 114.484 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.66 -15.75 6.63 Favored Glycine 0 C--O 1.242 0.607 0 O-C-N 120.884 -1.135 . . . . 0.0 112.449 -172.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 4.7 m-85 -126.01 163.68 22.5 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.246 -1.149 . . . . 0.0 110.748 -175.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.95 177.62 6.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.868 0.842 . . . . 0.0 111.27 -174.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.45 162.11 37.62 Favored Glycine 0 C--N 1.321 -0.285 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -171.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.88 -57.66 1.63 Allowed 'Trans proline' 0 N--CA 1.528 3.512 1 C-N-CA 126.481 4.787 . . . . 0.0 114.989 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -99.77 22.34 11.18 Favored 'General case' 0 C--O 1.242 0.675 0 O-C-N 121.663 -0.648 . . . . 0.0 111.338 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 54.07 48.92 19.98 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.217 -0.927 . . . . 0.0 110.521 -170.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -83.48 -21.8 32.72 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.247 -177.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.26 145.18 27.55 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.634 -175.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.67 138.32 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.124 -178.293 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.491 0.662 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.94 -163.32 0.16 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.032 0.92 . . . . 0.0 111.539 -170.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 39.7 p -53.35 106.0 0.16 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.962 0.887 . . . . 0.0 112.358 -169.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 25.32 91.13 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 125.762 1.625 . . . . 0.0 114.055 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -121.33 -165.44 1.23 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.669 0.747 . . . . 0.0 111.442 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.51 -52.22 55.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.015 0.912 . . . . 0.0 111.306 -170.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -111.23 59.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.635 0.731 . . . . 0.0 111.499 178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.542 0.687 . . . . 0.0 111.501 169.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.39 62.95 1.35 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.947 0.879 . . . . 0.0 110.981 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.88 24.88 14.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.487 0.661 . . . . 0.0 111.323 -173.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp 44.62 47.7 8.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.928 0.87 . . . . 0.0 111.233 -171.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 3.2 tt0 -133.87 29.28 3.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.067 0.937 . . . . 0.0 111.353 -173.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.6 170.5 36.44 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.66 145.05 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.052 0.929 . . . . 0.0 111.109 -172.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.27 131.97 37.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.613 0.721 . . . . 0.0 110.984 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.43 77.36 1.05 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.179 0.99 . . . . 0.0 110.673 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 22' ' ' TYR . 1.5 mt-10 -56.23 163.48 1.62 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.617 1.198 . . . . 0.0 112.019 -170.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.8 -170.66 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.796 -170.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -65.51 -4.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -171.569 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.68 31.16 0.07 OUTLIER Glycine 0 C--N 1.319 -0.403 0 N-CA-C 110.724 -0.951 . . . . 0.0 110.724 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -168.35 -154.93 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.93 -0.747 . . . . 0.0 110.607 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.453 ' CB ' ' HA ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -160.8 -179.69 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.55 1.167 . . . . 0.0 112.461 169.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 p -137.09 -163.96 1.51 Allowed 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.49 169.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.1 m -136.05 131.48 34.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.41 1.1 . . . . 0.0 111.936 -170.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 p -105.56 86.53 2.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.883 0.849 . . . . 0.0 110.775 170.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.93 130.66 38.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.939 0.876 . . . . 0.0 111.702 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 20.3 m-85 -51.89 156.43 2.52 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 121.829 0.824 . . . . 0.0 111.012 171.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 91.0 Cg_endo -72.73 102.83 1.47 Allowed 'Trans proline' 0 N--CA 1.531 3.735 1 C-N-CA 126.214 4.609 . . . . 0.0 114.701 -178.239 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.96 -22.59 3.6 Favored Glycine 0 C--N 1.318 -0.436 0 O-C-N 120.818 -1.176 . . . . 0.0 110.712 -169.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 13.9 m-85 -114.65 167.62 10.59 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.895 -0.768 . . . . 0.0 111.106 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.403 ' CE1' ' HG2' ' A' ' 39' ' ' ARG . 2.1 p90 -159.86 177.66 10.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.223 1.011 . . . . 0.0 111.779 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.9 159.66 30.56 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -170.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.3 -0.08 2.61 Favored 'Trans proline' 0 N--CA 1.53 3.631 1 C-N-CA 125.985 4.457 . . . . 0.0 116.3 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.37 18.87 2.75 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.274 -0.891 . . . . 0.0 111.346 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 49.83 10.56 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.791 0.805 . . . . 0.0 111.251 -171.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.81 -10.67 21.54 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -104.81 163.84 12.21 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.349 -0.844 . . . . 0.0 110.936 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.42 137.88 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 111.014 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 1.2 mtm105 -75.37 -170.4 1.2 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.547 0.689 . . . . 0.0 111.07 171.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--O 1.27 2.177 0 CA-C-O 122.083 0.944 . . . . 0.0 111.093 175.635 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.24 0.58 0 CA-C-O 121.232 0.539 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.42 153.01 39.64 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.47 1.129 . . . . 0.0 111.544 -171.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 33.2 p 63.22 81.29 0.21 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 123.191 1.472 . . . . 0.0 111.784 169.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 30.25 89.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 126.142 1.777 . . . . 0.0 114.061 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -106.28 -130.62 0.29 Allowed 'General case' 0 C--O 1.25 1.092 0 O-C-N 121.915 -0.49 . . . . 0.0 110.163 169.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.2 -39.36 10.13 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.889 -1.132 . . . . 0.0 110.571 -169.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.62 42.41 1.18 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.402 171.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.19 117.42 0.98 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.421 -0.799 . . . . 0.0 111.552 169.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 40.93 75.77 0.08 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.363 0.602 . . . . 0.0 111.378 -170.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.45 -96.45 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.247 0.619 . . . . 0.0 111.189 -174.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -166.3 32.21 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.339 1.066 . . . . 0.0 110.728 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -8.81 8.26 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.708 -0.62 . . . . 0.0 112.438 -173.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 26' ' ' CYS . . . -157.39 172.3 34.77 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-O 122.313 0.952 . . . . 0.0 112.271 -170.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -105.91 -177.99 3.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.739 0.781 . . . . 0.0 111.149 -171.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.97 139.97 45.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.69 0.757 . . . . 0.0 111.848 -170.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 25' ' ' SER . 7.6 mt -128.0 68.62 1.33 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.358 1.075 . . . . 0.0 110.347 169.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 0.4 OUTLIER -54.18 163.28 0.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.331 1.062 . . . . 0.0 111.526 -170.549 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -145.31 -177.04 5.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.473 0.654 . . . . 0.0 110.665 -170.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -170.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.61 29.42 0.19 Allowed Glycine 0 C--N 1.317 -0.521 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.95 -160.59 0.06 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 110.749 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.2 163.35 40.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.583 1.183 . . . . 0.0 111.979 170.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 p -124.55 -179.01 4.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.668 170.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -127.76 128.81 45.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.236 1.017 . . . . 0.0 112.12 -170.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.607 ' HB3' HD11 ' A' ' 16' ' ' LEU . 19.3 p -103.75 76.34 1.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.99 0.9 . . . . 0.0 109.429 169.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . 56.3 m -70.27 152.89 43.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.596 1.189 . . . . 0.0 112.613 -168.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.413 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 3.5 m-30 -59.33 152.65 52.62 Favored Pre-proline 0 CA--C 1.51 -0.584 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.472 170.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 43.7 Cg_endo -61.95 118.26 5.13 Favored 'Trans proline' 0 N--CA 1.533 3.804 1 C-N-CA 126.038 4.492 . . . . 0.0 114.514 -174.235 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.523 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 106.59 21.91 8.02 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.682 -1.261 . . . . 0.0 111.796 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -138.81 151.42 47.03 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.499 -1.001 . . . . 0.0 111.18 170.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.1 171.9 19.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.32 1.057 . . . . 0.0 112.005 -172.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.58 161.07 25.01 Favored Glycine 0 N--CA 1.46 0.269 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -170.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -43.96 -52.3 5.65 Favored 'Trans proline' 0 N--CA 1.528 3.529 1 C-N-CA 126.309 4.672 . . . . 0.0 114.838 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -100.38 19.97 15.69 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.279 0.561 . . . . 0.0 111.551 172.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m 46.38 40.67 8.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.029 0.918 . . . . 0.0 110.678 -168.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.02 20.49 4.22 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.899 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -133.44 141.4 47.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.907 0.861 . . . . 0.0 110.749 170.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.27 138.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.422 0.629 . . . . 0.0 110.459 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.523 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 10.5 mtp180 -50.2 161.13 0.3 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.779 0.8 . . . . 0.0 111.566 -174.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.269 2.127 0 CA-C-O 122.009 0.909 . . . . 0.0 110.931 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.239 0.538 0 CA-C-O 121.123 0.487 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -43.82 -62.12 1.21 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.203 1.001 . . . . 0.0 111.778 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.574 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 93.8 p -125.87 -137.88 0.27 Allowed 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.62 -167.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.442 ' HB3' ' HB3' ' A' ' 8' ' ' SER . 53.6 m -87.1 143.45 27.31 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.264 -0.897 . . . . 0.0 111.57 -169.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.69 -163.48 1.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.496 0.665 . . . . 0.0 110.903 171.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.12 -54.4 10.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.255 1.026 . . . . 0.0 111.057 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -99.3 68.56 1.64 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 170.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -44.19 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.01 0.433 . . . . 0.0 112.139 171.164 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 m -122.63 46.69 2.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.518 0.675 . . . . 0.0 111.359 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m 66.03 26.09 10.86 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.612 -0.68 . . . . 0.0 111.242 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt 47.74 35.88 5.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.031 0.92 . . . . 0.0 111.0 -173.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.51 ' NE2' ' CD1' ' A' ' 30' ' ' PHE . 6.1 tt0 -133.24 30.1 3.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.303 0.573 . . . . 0.0 111.698 -177.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' HA2' ' CD1' ' A' ' 27' ' ' TYR . . . 177.78 164.26 30.85 Favored Glycine 0 N--CA 1.462 0.388 0 CA-C-O 122.014 0.785 . . . . 0.0 111.19 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -99.99 150.03 22.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.945 0.878 . . . . 0.0 111.325 -170.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -72.96 140.67 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.15 0.976 . . . . 0.0 111.81 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.021 HD11 ' HB3' ' A' ' 25' ' ' SER . 9.3 mt -131.86 71.06 1.46 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.918 0.866 . . . . 0.0 111.001 170.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.574 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 12.7 mp0 -63.9 152.86 38.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.042 0.925 . . . . 0.0 110.958 -171.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -139.63 -171.27 3.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.43 0.633 . . . . 0.0 110.76 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.17 102.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.838 0.828 . . . . 0.0 110.885 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.13 36.64 92.15 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 171.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 178.81 -167.74 0.08 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.899 0.857 . . . . 0.0 111.101 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.524 ' CG ' ' HA ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -151.15 170.64 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.539 1.161 . . . . 0.0 112.378 170.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -132.95 -171.17 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.627 170.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 m -127.64 150.85 49.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.575 1.178 . . . . 0.0 111.787 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 1.021 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.2 p -109.19 78.59 1.15 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.036 169.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.9 m -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.81 0.814 . . . . 0.0 111.67 -170.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.427 ' CD1' ' HA2' ' A' ' 13' ' ' GLY . 13.6 m-30 -51.68 158.48 1.56 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 121.867 0.841 . . . . 0.0 111.279 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -57.47 107.18 0.28 Allowed 'Trans proline' 0 N--CA 1.532 3.744 1 C-N-CA 126.479 4.786 . . . . 0.0 114.741 175.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.13 -17.87 5.08 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.805 -1.184 . . . . 0.0 112.305 -173.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 8.5 m-85 -129.07 169.89 14.17 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.364 -1.08 . . . . 0.0 110.996 -173.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 26.6 p90 -164.04 177.93 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.269 1.033 . . . . 0.0 112.033 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.84 152.54 25.68 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -170.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -44.8 -36.02 10.26 Favored 'Trans proline' 0 N--CA 1.528 3.525 1 C-N-CA 126.436 4.757 . . . . 0.0 115.117 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.61 20.55 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.892 -0.505 . . . . 0.0 111.306 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 47.53 42.02 14.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.231 1.015 . . . . 0.0 110.618 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -84.36 -11.35 56.46 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.529 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 51.9 m-85 -111.49 155.92 22.49 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.325 -0.86 . . . . 0.0 110.689 175.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -126.81 143.19 41.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.027 0.917 . . . . 0.0 111.02 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -65.53 149.77 49.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.794 0.807 . . . . 0.0 110.935 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--O 1.27 2.177 0 CA-C-O 122.133 0.968 . . . . 0.0 110.945 -171.475 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 1.8 m . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 121.52 0.676 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 1' ' ' THR . . . -178.04 96.88 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.539 0.685 . . . . 0.0 111.438 172.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -47.33 -65.06 0.62 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.786 1.279 . . . . 0.0 110.019 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -76.09 137.31 40.07 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.791 -171.212 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.98 125.05 34.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.182 -170.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t70 30.24 -85.77 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.019 1.728 . . . . 0.0 113.926 -171.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.454 ' HG2' ' HE3' ' A' ' 11' ' ' LYS . 2.1 mtt -80.1 24.49 0.42 Allowed 'General case' 0 C--O 1.253 1.272 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -168.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 p 55.07 -163.78 0.13 Allowed 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.655 -1.278 . . . . 0.0 112.613 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.59 80.47 4.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.49 0.662 . . . . 0.0 111.295 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m 46.49 34.46 2.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.434 0.635 . . . . 0.0 111.027 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HE3' ' HG2' ' A' ' 7' ' ' MET . 2.8 mtmp? 58.37 36.98 25.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.739 0.781 . . . . 0.0 110.983 171.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -137.97 22.35 2.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.165 0.507 . . . . 0.0 111.739 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.64 155.96 13.84 Favored Glycine 0 C--N 1.32 -0.313 0 CA-C-O 122.326 0.959 . . . . 0.0 111.759 -171.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.11 121.2 42.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.782 0.801 . . . . 0.0 111.861 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.764 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 20.1 m -73.53 136.75 44.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 123.025 1.393 . . . . 0.0 111.57 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' C ' ' HB3' ' A' ' 22' ' ' TYR . 15.1 mt -134.66 111.02 9.66 Favored 'General case' 0 C--O 1.258 1.516 0 C-N-CA 123.888 0.875 . . . . 0.0 112.556 -166.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.722 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -102.3 145.39 29.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 127.056 3.313 . . . . 0.0 115.827 -166.554 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -120.36 -160.96 0.86 Allowed 'General case' 0 C--O 1.246 0.911 0 C-N-CA 127.256 2.222 . . . . 0.0 110.693 -163.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -11.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -171.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.38 40.43 0.09 OUTLIER Glycine 0 C--O 1.243 0.663 0 CA-C-N 116.52 -0.309 . . . . 0.0 112.628 170.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 170.17 143.31 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 O-C-N 121.512 -0.993 . . . . 0.0 111.262 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.764 ' CD2' ' HB3' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -106.37 165.04 11.55 Favored 'General case' 0 C--N 1.356 0.856 1 CA-C-O 129.494 4.473 . . . . 0.0 115.073 170.368 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -121.83 -165.05 1.21 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 111.551 -2.568 . . . . 0.0 111.062 -167.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.4 m -123.85 129.87 51.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.79 1.281 . . . . 0.0 113.509 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -109.26 84.98 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.089 0.947 . . . . 0.0 110.399 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.29 128.5 37.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.437 1.113 . . . . 0.0 111.384 -170.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 8.5 m-85 -43.63 160.28 0.22 Allowed Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 122.228 1.013 . . . . 0.0 111.697 170.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 30.9 Cg_endo -76.64 26.08 0.44 Allowed 'Trans proline' 0 N--CA 1.533 3.832 1 C-N-CA 126.684 4.923 . . . . 0.0 116.905 -177.447 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . -137.91 16.22 3.5 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 121.37 -0.831 . . . . 0.0 111.485 168.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -139.53 170.14 16.46 Favored 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.55 -0.971 . . . . 0.0 111.096 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -164.43 171.39 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.936 1.35 . . . . 0.0 112.512 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.3 148.44 23.12 Favored Glycine 0 N--CA 1.462 0.38 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -43.68 -26.13 1.11 Allowed 'Trans proline' 0 N--CA 1.53 3.635 1 C-N-CA 126.148 4.565 . . . . 0.0 115.605 -177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.53 20.37 8.69 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.548 -0.72 . . . . 0.0 111.029 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 44.45 53.01 7.22 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.951 0.882 . . . . 0.0 110.677 -169.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 10.4 pt-20 -101.36 4.62 41.68 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 8.7 m-85 -116.16 136.21 53.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.215 -0.928 . . . . 0.0 110.74 171.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 137.06 41.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.415 0.626 . . . . 0.0 110.692 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.515 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 64.0 mtp180 -51.63 161.11 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.528 0.68 . . . . 0.0 110.885 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.27 2.155 0 CA-C-O 121.966 0.889 . . . . 0.0 110.826 -170.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.773 0.796 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.85 -66.99 0.86 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.58 0.705 . . . . 0.0 112.527 -171.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.517 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . 4.0 p -138.7 -103.17 0.17 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -165.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 134.98 47.19 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.199 -0.938 . . . . 0.0 112.053 -166.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.75 -109.78 0.19 Allowed 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.714 169.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -109.08 -47.55 3.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 122.118 0.961 . . . . 0.0 109.836 -170.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.49 37.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.137 170.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -35.01 110.79 0.1 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.723 0.773 . . . . 0.0 112.883 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.5 m 64.78 41.81 4.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.384 0.611 . . . . 0.0 111.45 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 m 53.04 35.88 20.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 111.53 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.06 39.33 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.022 0.915 . . . . 0.0 111.345 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.42 ' C ' ' CD2' ' A' ' 27' ' ' TYR . 1.3 mt-30 -136.33 23.14 3.22 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.67 -0.644 . . . . 0.0 111.765 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.483 ' N ' ' CE2' ' A' ' 27' ' ' TYR . . . 169.65 159.61 15.87 Favored Glycine 0 N--CA 1.461 0.356 0 CA-C-O 121.995 0.775 . . . . 0.0 111.382 -171.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -102.8 141.0 36.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.715 0.769 . . . . 0.0 111.196 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.49 142.02 57.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.733 1.254 . . . . 0.0 110.729 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.8 mt -120.73 67.36 0.85 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.527 1.156 . . . . 0.0 109.757 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 3' ' ' SER . 1.8 tm-20 -53.34 126.06 19.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.19 0.995 . . . . 0.0 111.751 -169.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 p -105.93 -164.0 0.98 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.644 -0.66 . . . . 0.0 110.793 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -36.94 -90.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 124.729 1.212 . . . . 0.0 113.229 -175.383 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -111.98 50.35 0.78 Allowed Glycine 0 C--N 1.316 -0.577 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 171.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.96 -166.64 0.43 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.932 0.872 . . . . 0.0 111.158 170.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.517 ' CD1' ' HA ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -148.35 174.4 12.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.454 1.121 . . . . 0.0 112.31 170.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 p -137.9 158.43 44.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.015 170.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.3 134.09 42.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.169 0.985 . . . . 0.0 111.794 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.2 p -104.8 81.64 1.78 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.997 0.903 . . . . 0.0 110.59 169.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.9 127.5 31.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.94 0.876 . . . . 0.0 111.807 -170.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CE2' ' N ' ' A' ' 13' ' ' GLY . 34.0 m-85 -52.69 155.31 4.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 122.036 0.922 . . . . 0.0 111.966 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -52.41 104.66 0.1 OUTLIER 'Trans proline' 0 N--CA 1.529 3.611 1 C-N-CA 126.748 4.966 . . . . 0.0 115.15 174.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.584 ' HA2' ' HD3' ' A' ' 39' ' ' ARG . . . 136.09 -21.24 3.52 Favored Glycine 0 C--O 1.24 0.494 0 O-C-N 120.837 -1.165 . . . . 0.0 111.603 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HD1' HG22 ' A' ' 38' ' ' VAL . 7.2 m-85 -132.36 166.65 21.47 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.432 -1.04 . . . . 0.0 111.378 -169.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 11.4 p90 -162.04 176.12 11.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.078 0.942 . . . . 0.0 111.649 176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.02 155.12 26.98 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -171.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.27 -12.61 10.71 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.085 4.523 . . . . 0.0 115.816 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -126.76 19.07 7.27 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.278 -0.889 . . . . 0.0 111.311 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m 41.75 45.63 3.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.931 0.872 . . . . 0.0 111.102 -169.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 9.9 pt-20 -95.96 -5.45 41.27 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -173.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.4 m-85 -106.14 155.49 19.39 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.278 -0.889 . . . . 0.0 110.761 171.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 ' HD1' ' A' ' 30' ' ' PHE . 39.9 t -125.49 141.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.192 0.996 . . . . 0.0 111.411 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HD3' ' HA2' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -64.67 -152.78 0.01 OUTLIER 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.301 171.47 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--O 1.27 2.168 0 O-C-N 120.987 -1.071 . . . . 0.0 111.296 -169.522 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 121.719 0.771 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.79 -61.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.9 0.857 . . . . 0.0 111.501 -170.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 94.6 p -147.96 -139.1 0.09 Allowed 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.24 -169.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.78 135.45 16.26 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.847 -1.158 . . . . 0.0 111.992 -167.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.58 -155.22 0.56 Allowed 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.034 170.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -58.94 5.32 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.443 1.116 . . . . 0.0 111.588 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.0 35.42 0.98 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 112.267 -171.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 134.9 57.25 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.17 -0.956 . . . . 0.0 111.192 170.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.21 37.63 4.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.2 0.524 . . . . 0.0 111.282 -171.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.92 -164.85 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.334 0.588 . . . . 0.0 110.711 -172.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -96.14 47.45 1.09 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.56 1.172 . . . . 0.0 110.727 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -116.47 -34.42 4.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.628 0.728 . . . . 0.0 111.725 171.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.4 156.44 25.18 Favored Glycine 0 N--CA 1.463 0.473 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.92 159.23 16.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.769 1.271 . . . . 0.0 112.347 -170.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' C ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -83.79 139.63 32.57 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.014 0.911 . . . . 0.0 111.52 -170.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.619 HD12 ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -127.78 78.96 1.86 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 170.551 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 7.1 tm-20 -66.54 145.07 56.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.306 1.05 . . . . 0.0 110.7 175.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.4 p -146.81 -170.64 3.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.868 -170.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 20' ' ' GLY . 8.7 mt -27.63 -93.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 125.571 1.548 . . . . 0.0 113.691 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.537 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -114.62 47.64 1.02 Allowed Glycine 0 C--N 1.317 -0.511 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.599 175.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 174.07 176.23 0.14 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.586 0.708 . . . . 0.0 110.985 171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 1.8 p90 -127.85 177.29 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.182 0.992 . . . . 0.0 112.261 171.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.619 ' OG1' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -137.92 -167.33 2.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.748 0.785 . . . . 0.0 111.366 -175.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.8 m -134.4 145.93 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.918 0.866 . . . . 0.0 111.068 169.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.559 ' N ' HD21 ' A' ' 16' ' ' LEU . 11.8 p -112.04 78.89 1.16 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 110.518 169.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.7 121.44 7.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.552 0.691 . . . . 0.0 110.762 -175.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.508 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 9.4 m-30 -53.37 168.67 0.36 Allowed Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 122.23 1.014 . . . . 0.0 111.147 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.508 ' CD ' ' HB3' ' A' ' 27' ' ' TYR . 4.2 Cg_exo -78.52 29.11 0.46 Allowed 'Trans proline' 0 N--CA 1.529 3.577 1 C-N-CA 127.956 5.77 . . . . 0.0 116.074 -174.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' HA2' ' HD2' ' A' ' 39' ' ' ARG . . . -134.86 5.64 4.38 Favored Glycine 0 C--O 1.24 0.523 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 170.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -139.02 -172.12 3.25 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.418 -1.048 . . . . 0.0 111.27 -169.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 178.69 176.9 0.49 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.94 0.876 . . . . 0.0 111.28 170.319 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.62 155.89 26.48 Favored Glycine 0 C--N 1.32 -0.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -170.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -44.1 -37.95 10.18 Favored 'Trans proline' 0 N--CA 1.528 3.517 1 C-N-CA 126.237 4.625 . . . . 0.0 114.908 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -114.28 20.98 15.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.732 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.87 40.35 8.92 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.347 -0.845 . . . . 0.0 110.771 -170.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.458 ' HG3' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -82.51 -9.5 59.39 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.871 -0.518 . . . . 0.0 112.28 -174.364 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CD2' ' HG3' ' A' ' 36' ' ' GLU . 87.9 m-85 -119.81 136.08 54.61 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.41 -0.806 . . . . 0.0 110.464 -175.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.6 146.87 12.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.555 0.693 . . . . 0.0 110.736 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HD2' ' HA2' ' A' ' 29' ' ' GLY . 56.6 mtt180 -53.69 141.13 27.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.766 0.793 . . . . 0.0 111.264 -170.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.216 0 CA-C-O 121.882 0.848 . . . . 0.0 110.959 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 6.8 t . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 121.906 0.86 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 1' ' ' THR . . . -175.24 36.2 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.389 0.614 . . . . 0.0 111.295 170.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 24.6 p -163.87 84.56 0.46 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.335 1.54 . . . . 0.0 110.666 169.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t 40.7 80.92 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.996 1.318 . . . . 0.0 113.69 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.19 -164.09 0.98 Allowed 'General case' 0 C--N 1.318 -0.796 0 O-C-N 121.679 -0.638 . . . . 0.0 110.241 168.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.55 -62.42 0.88 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.46 1.124 . . . . 0.0 112.62 -170.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -118.54 60.74 0.79 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.59 1.662 . . . . 0.0 110.078 -178.682 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -37.98 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.163 -0.96 . . . . 0.0 112.859 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.12 68.63 0.67 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.701 0.762 . . . . 0.0 110.573 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p 56.85 -157.09 0.28 Allowed 'General case' 0 C--O 1.241 0.651 0 O-C-N 121.864 -0.522 . . . . 0.0 109.841 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -116.44 50.98 1.0 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.582 1.182 . . . . 0.0 110.412 170.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 5.0 mt-30 -133.4 13.38 4.16 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.205 176.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.66 161.98 34.3 Favored Glycine 0 C--N 1.319 -0.366 0 O-C-N 121.4 -0.812 . . . . 0.0 111.64 -170.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.12 -179.32 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.068 0.937 . . . . 0.0 111.375 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 120.87 42.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.488 0.661 . . . . 0.0 110.484 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.56 68.91 1.86 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.535 1.159 . . . . 0.0 110.423 170.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 0.3 OUTLIER -65.5 121.46 14.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.088 0.947 . . . . 0.0 111.746 -169.843 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 p -98.36 -169.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.049 0.928 . . . . 0.0 111.32 -174.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -73.76 2.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -170.223 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.99 30.02 0.12 Allowed Glycine 0 C--N 1.319 -0.362 0 O-C-N 121.162 -0.961 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 178.95 -168.88 0.09 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.818 -0.813 . . . . 0.0 110.636 -170.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -148.86 168.55 22.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.491 1.138 . . . . 0.0 112.432 168.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.9 p -135.58 -173.17 3.28 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.721 169.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -134.53 128.18 32.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.274 1.035 . . . . 0.0 112.247 -170.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -100.71 90.34 4.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.604 0.716 . . . . 0.0 110.179 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -56.53 127.86 33.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.141 0.972 . . . . 0.0 111.303 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -47.32 163.31 0.26 Allowed Pre-proline 0 C--N 1.321 -0.644 0 CA-C-O 121.958 0.885 . . . . 0.0 111.315 171.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -67.82 109.84 1.99 Allowed 'Trans proline' 0 N--CA 1.531 3.718 1 C-N-CA 126.49 4.793 . . . . 0.0 114.51 -174.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 110.12 -8.57 31.22 Favored Glycine 0 C--O 1.24 0.493 0 O-C-N 120.804 -1.185 . . . . 0.0 111.509 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' ' HG2' ' A' ' 12' ' ' GLN . 16.7 m-85 -110.83 151.19 28.12 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.463 -1.022 . . . . 0.0 110.687 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.76 -174.42 4.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.117 0.96 . . . . 0.0 111.64 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.31 151.35 27.36 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -39.25 -29.38 0.21 Allowed 'Trans proline' 0 N--CA 1.528 3.545 1 C-N-CA 126.321 4.681 . . . . 0.0 115.215 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -133.33 23.24 4.08 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.621 -0.674 . . . . 0.0 111.474 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.35 57.76 5.52 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.215 -0.928 . . . . 0.0 110.542 -170.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -103.04 -3.76 25.52 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.713 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 7.6 m-85 -125.26 155.76 39.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.928 0.871 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -111.04 131.51 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.677 0.751 . . . . 0.0 110.636 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.517 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 16.5 mtp180 -52.31 -25.64 10.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.978 0.894 . . . . 0.0 113.157 -177.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.272 2.238 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.771 -171.61 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.507 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.3 OUTLIER . . . . . 0 CA--C 1.511 -0.533 0 CA-C-O 121.546 0.688 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 1' ' ' THR . . . 73.09 162.01 0.25 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.342 0.591 . . . . 0.0 110.792 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 17.6 p 49.95 -151.39 0.18 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.901 0.858 . . . . 0.0 110.092 169.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 t -109.16 132.52 54.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.211 1.005 . . . . 0.0 110.331 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -133.48 -174.87 3.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.951 0.881 . . . . 0.0 110.751 -169.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.25 -53.63 33.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.253 1.025 . . . . 0.0 110.709 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -126.97 74.91 1.53 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 124.543 2.116 . . . . 0.0 110.173 174.084 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -47.62 -73.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 120.644 -1.285 . . . . 0.0 111.159 170.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.9 m -112.86 51.1 0.84 Allowed 'General case' 0 C--O 1.241 0.64 0 O-C-N 121.363 -0.836 . . . . 0.0 111.632 -171.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.72 27.29 16.04 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.186 -0.947 . . . . 0.0 111.849 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? 48.65 40.5 15.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.923 0.868 . . . . 0.0 111.118 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.491 ' NE2' ' CE1' ' A' ' 30' ' ' PHE . 2.1 tt0 -132.33 24.74 4.49 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.759 0.79 . . . . 0.0 111.125 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 27' ' ' TYR . . . 167.52 160.66 15.35 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -167.27 1.48 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.996 -0.708 . . . . 0.0 110.804 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 118.34 30.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.419 0.628 . . . . 0.0 110.361 -175.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -95.6 66.48 2.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.748 1.261 . . . . 0.0 110.467 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 1.8 tt0 -59.31 123.96 18.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.977 -170.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -97.4 -170.08 1.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.66 0.743 . . . . 0.0 110.955 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -77.76 4.2 1.36 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -170.483 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.52 27.68 0.2 Allowed Glycine 0 N--CA 1.462 0.397 0 O-C-N 121.282 -0.886 . . . . 0.0 111.634 171.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 177.14 -167.12 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.902 -0.763 . . . . 0.0 110.507 -171.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.451 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -148.09 174.5 11.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.746 1.26 . . . . 0.0 112.191 167.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 -164.37 1.58 Allowed 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.356 168.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.6 132.91 53.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.164 0.983 . . . . 0.0 111.766 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.4 p -105.07 87.33 2.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.617 0.722 . . . . 0.0 110.253 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -51.93 129.84 27.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.1 0.952 . . . . 0.0 111.583 -170.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CD1' ' HA2' ' A' ' 13' ' ' GLY . 16.5 m-30 -54.91 160.97 2.57 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.822 0.82 . . . . 0.0 110.658 172.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -62.25 100.02 0.21 Allowed 'Trans proline' 0 N--CA 1.531 3.686 1 C-N-CA 126.045 4.497 . . . . 0.0 114.375 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.65 -2.34 5.67 Favored Glycine 0 C--O 1.242 0.635 0 O-C-N 120.977 -1.077 . . . . 0.0 112.803 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CE1' ' NE2' ' A' ' 12' ' ' GLN . 34.9 m-85 -138.8 149.37 44.88 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.392 1.096 . . . . 0.0 111.521 -169.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -153.86 177.97 10.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.895 0.855 . . . . 0.0 111.404 -179.509 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.7 155.66 31.7 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -170.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.36 -28.53 8.45 Favored 'Trans proline' 0 N--CA 1.526 3.422 1 C-N-CA 126.223 4.615 . . . . 0.0 114.759 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -118.1 18.52 13.83 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 112.275 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 45.61 37.4 3.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.791 0.805 . . . . 0.0 111.033 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 8.5 pt-20 -97.65 19.95 12.69 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.896 -171.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 11.0 m-85 -137.48 153.37 50.07 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.199 -0.938 . . . . 0.0 111.196 171.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.4 t -87.52 144.08 9.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.856 0.836 . . . . 0.0 110.391 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -96.54 -17.28 20.58 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.929 0.871 . . . . 0.0 112.661 -170.156 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.192 0 CA-C-O 121.917 0.865 . . . . 0.0 111.042 -169.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.407 ' HA ' ' NE2' ' A' ' 5' ' ' GLN . 31.8 m . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.189 0.519 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.523 ' HA ' ' CE1' ' A' ' 22' ' ' TYR . . . -151.92 -163.64 1.79 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.525 -0.734 . . . . 0.0 110.852 -173.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.481 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 1.2 t 62.47 -92.75 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -177.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 11.9 t -173.15 119.98 0.34 Allowed 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.491 -0.756 . . . . 0.0 110.796 174.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 1' ' ' THR . 0.6 OUTLIER -134.97 -108.2 0.22 Allowed 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.696 -0.628 . . . . 0.0 112.375 176.699 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -104.76 -55.1 2.39 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.364 1.078 . . . . 0.0 110.789 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.21 34.93 0.92 Allowed 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.637 -0.665 . . . . 0.0 112.205 170.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.43 100.39 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.48 -0.762 . . . . 0.0 111.177 170.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HG3' ' A' ' 34' ' ' GLU . 3.7 m 57.95 61.9 2.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.857 0.836 . . . . 0.0 111.664 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 28.1 t 59.0 -90.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.697 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.32 36.25 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.508 1.146 . . . . 0.0 110.887 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.503 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 1.3 mt-30 -132.39 10.92 4.49 Favored 'General case' 0 C--O 1.242 0.692 0 O-C-N 121.652 -0.655 . . . . 0.0 112.685 -170.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.05 166.04 35.52 Favored Glycine 0 N--CA 1.462 0.373 0 CA-C-O 122.01 0.783 . . . . 0.0 111.981 -170.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.36 -174.37 2.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 110.872 -172.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 4' ' ' CYS . 3.1 m -121.78 116.32 24.26 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.627 0.727 . . . . 0.0 111.531 -171.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 25' ' ' SER . 0.2 OUTLIER -110.46 79.32 1.19 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.945 0.878 . . . . 0.0 110.829 171.132 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' CA ' ' A' ' 3' ' ' SER . 1.1 mp0 -71.68 137.8 48.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.77 1.272 . . . . 0.0 111.743 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.3 p -112.0 -169.72 1.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.655 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 20' ' ' GLY . 3.4 mp -16.32 -96.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.059 1.744 . . . . 0.0 113.633 170.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -120.43 52.62 0.72 Allowed Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 170.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -168.15 -160.98 0.34 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.028 -0.69 . . . . 0.0 110.863 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CE1' ' HA ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -149.19 169.48 20.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 123.454 1.597 . . . . 0.0 113.708 169.368 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -120.53 -166.02 1.27 Allowed 'General case' 0 C--O 1.244 0.776 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.093 168.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 m -135.46 151.82 50.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.682 1.23 . . . . 0.0 112.329 170.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HD11 ' A' ' 16' ' ' LEU . 61.3 p -112.09 82.61 1.66 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.806 168.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.4 m -51.82 134.41 31.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.942 0.877 . . . . 0.0 111.487 -170.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 12.0 m-30 -56.05 158.06 7.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.869 0.842 . . . . 0.0 110.932 173.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 87.5 Cg_endo -72.01 96.06 0.77 Allowed 'Trans proline' 0 N--CA 1.53 3.63 1 C-N-CA 126.2 4.6 . . . . 0.0 114.743 -178.723 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.4 -23.59 2.2 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 120.989 -1.069 . . . . 0.0 111.365 -169.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 7.5 m-85 -123.79 159.69 28.97 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.611 -0.935 . . . . 0.0 110.641 -171.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -155.98 179.75 8.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.91 0.862 . . . . 0.0 111.331 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.11 156.26 28.04 Favored Glycine 0 C--N 1.319 -0.369 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.98 -32.52 4.65 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.222 4.614 . . . . 0.0 114.975 175.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' ' HA ' ' A' ' 9' ' ' CYS . 29.8 tt0 -117.31 19.07 14.26 Favored 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.882 -0.511 . . . . 0.0 112.074 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m 45.37 35.66 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.314 -0.866 . . . . 0.0 111.146 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -17.17 39.96 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -170.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.89 167.43 10.09 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.42 -0.8 . . . . 0.0 110.763 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 30' ' ' PHE . 48.4 t -124.6 149.69 29.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.89 0.853 . . . . 0.0 111.024 -172.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' C ' ' HG3' ' A' ' 40' ' ' GLU . 91.7 mtt-85 -67.09 -175.59 0.46 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.425 0.631 . . . . 0.0 111.034 177.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' HG3' ' C ' ' A' ' 39' ' ' ARG . 4.5 mt-10 . . . . . 0 C--O 1.274 2.361 0 CA-C-O 121.709 0.766 . . . . 0.0 111.187 -175.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 6.0 p . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 121.258 0.551 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 1' ' ' THR . . . -174.21 -91.13 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.672 0.749 . . . . 0.0 112.164 170.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.4 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 21.0 p -173.83 -153.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.381 0.61 . . . . 0.0 111.155 -168.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 13.9 t -96.88 54.53 1.29 Allowed 'General case' 0 C--O 1.243 0.762 0 CA-C-O 122.373 1.082 . . . . 0.0 113.025 -168.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 7' ' ' MET . 7.2 tt0 -138.95 177.33 7.97 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.922 -1.111 . . . . 0.0 110.942 170.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 36.17 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 125.72 1.608 . . . . 0.0 113.387 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 5' ' ' GLN . 2.1 ttm -93.69 46.53 1.19 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.41 90.62 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.837 0.827 . . . . 0.0 112.25 169.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 m 41.6 45.91 3.0 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 123.433 0.693 . . . . 0.0 112.35 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m 64.04 32.19 13.05 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.515 -0.74 . . . . 0.0 111.011 171.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.46 47.23 14.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.69 0.757 . . . . 0.0 111.595 -176.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 35.5 tt0 -137.73 20.26 2.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.296 0.569 . . . . 0.0 112.021 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.45 -178.07 46.39 Favored Glycine 0 C--N 1.32 -0.335 0 O-C-N 121.433 -0.792 . . . . 0.0 111.353 -171.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.13 172.19 7.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -126.51 107.6 10.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.799 0.809 . . . . 0.0 110.823 -170.116 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.0 mt -102.3 91.23 4.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.51 0.671 . . . . 0.0 111.221 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.4 160.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.456 1.122 . . . . 0.0 111.035 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.607 HG21 HG23 ' A' ' 23' ' ' THR . 21.2 p -159.08 -171.83 3.53 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.68 0.752 . . . . 0.0 110.704 -169.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.84 116.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.891 0.853 . . . . 0.0 111.322 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.91 22.39 57.43 Favored Glycine 0 C--O 1.24 0.516 0 O-C-N 121.894 -0.504 . . . . 0.0 112.112 171.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t30 174.94 -177.42 0.1 Allowed 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.623 -0.928 . . . . 0.0 111.057 -171.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.4 ' CE2' ' O ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -125.19 -174.92 3.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.822 0.82 . . . . 0.0 110.709 166.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.607 HG23 HG21 ' A' ' 18' ' ' THR . 80.6 p -136.28 -175.25 3.93 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.956 -0.465 . . . . 0.0 110.717 170.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.2 m -131.89 129.43 40.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.35 1.072 . . . . 0.0 112.387 -171.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -104.98 81.98 1.8 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.931 0.872 . . . . 0.0 109.607 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.0 m -50.52 146.6 5.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 112.333 -169.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -62.58 166.17 7.86 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.944 0.878 . . . . 0.0 110.876 170.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -65.13 103.27 0.49 Allowed 'Trans proline' 0 N--CA 1.53 3.654 1 C-N-CA 126.736 4.958 . . . . 0.0 114.469 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.12 -18.64 5.0 Favored Glycine 0 C--O 1.241 0.561 0 O-C-N 120.854 -1.154 . . . . 0.0 112.324 -171.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 5.2 m-85 -128.68 164.32 23.19 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.288 -1.125 . . . . 0.0 110.803 -174.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.87 160.98 14.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.115 0.96 . . . . 0.0 111.494 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.62 154.62 13.96 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -171.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -44.93 -32.05 5.99 Favored 'Trans proline' 0 N--CA 1.529 3.617 1 C-N-CA 126.282 4.655 . . . . 0.0 115.012 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -117.76 18.55 14.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.309 0.576 . . . . 0.0 112.045 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.3 m 46.74 39.51 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.915 0.865 . . . . 0.0 111.454 -171.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -9.66 48.21 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -102.95 134.83 45.73 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.295 -0.878 . . . . 0.0 110.775 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.94 138.55 32.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.992 0.901 . . . . 0.0 110.991 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -64.47 -172.94 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.732 0.777 . . . . 0.0 110.988 -172.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.27 2.183 0 CA-C-O 121.971 0.891 . . . . 0.0 111.049 173.68 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 121.906 0.86 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.76 ' HB1' ' CE1' ' A' ' 22' ' ' TYR . . . -132.19 108.34 9.2 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.744 -0.598 . . . . 0.0 111.238 -172.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 66.5 m -158.13 111.19 2.4 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.308 0.575 . . . . 0.0 111.7 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m 28.25 80.53 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.985 1.314 . . . . 0.0 113.023 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -100.4 -165.59 1.23 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.002 0.906 . . . . 0.0 110.876 176.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -54.33 22.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.293 1.044 . . . . 0.0 110.375 -176.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt -111.86 61.75 0.62 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.164 170.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -31.45 -87.98 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 124.718 1.207 . . . . 0.0 113.354 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 67.4 1.28 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.656 0.741 . . . . 0.0 110.544 -174.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 t 61.01 -85.01 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.193 0.521 . . . . 0.0 110.588 -170.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 40.84 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.608 1.194 . . . . 0.0 110.687 169.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.415 ' NE2' ' CD1' ' A' ' 30' ' ' PHE . 43.6 mt-30 -120.23 -18.6 7.96 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.592 -173.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.16 170.5 36.25 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-O 122.195 0.886 . . . . 0.0 111.677 -176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -110.38 165.3 11.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.515 1.15 . . . . 0.0 111.736 -170.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.85 143.84 31.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 123.003 1.383 . . . . 0.0 112.241 -170.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 25' ' ' SER . 3.9 mt -130.42 71.34 1.46 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.463 1.125 . . . . 0.0 109.866 169.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' HB3' ' A' ' 3' ' ' SER . 0.0 OUTLIER -52.68 137.47 31.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.137 1.446 . . . . 0.0 113.176 -167.66 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -115.67 -170.58 1.81 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.091 0.948 . . . . 0.0 111.502 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mm -69.9 -5.03 4.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.48 24.21 0.24 Allowed Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.71 -0.619 . . . . 0.0 111.624 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.11 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.798 -0.825 . . . . 0.0 110.169 -170.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.76 ' CE1' ' HB1' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -138.69 164.27 29.97 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.682 1.229 . . . . 0.0 111.678 167.436 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -117.43 177.95 4.56 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.22 168.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -130.71 131.17 44.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.081 0.943 . . . . 0.0 111.612 -171.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.585 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.0 p -96.77 84.36 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.193 0.997 . . . . 0.0 109.946 169.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.4 m -62.37 124.98 22.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.062 0.934 . . . . 0.0 110.988 -170.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -48.32 161.57 0.38 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 122.017 0.913 . . . . 0.0 110.905 171.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.2 110.6 0.81 Allowed 'Trans proline' 0 N--CA 1.529 3.616 1 C-N-CA 126.266 4.644 . . . . 0.0 114.469 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 128.27 -4.64 6.77 Favored Glycine 0 C--O 1.241 0.593 0 O-C-N 120.925 -1.109 . . . . 0.0 112.379 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.415 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 16.4 m-85 -132.91 169.08 17.29 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.219 -1.165 . . . . 0.0 111.051 -172.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.434 ' CE1' ' HB3' ' A' ' 37' ' ' TYR . 6.7 p90 -166.75 177.55 6.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.066 0.936 . . . . 0.0 111.337 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.99 151.12 27.56 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -170.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -44.08 -44.37 12.4 Favored 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.276 4.651 . . . . 0.0 114.912 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -99.95 20.31 14.59 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.809 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 44.11 31.61 0.56 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.256 -0.903 . . . . 0.0 110.418 -168.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.26 17.33 6.15 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.046 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 20.1 m-85 -131.4 116.58 17.72 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.292 -0.88 . . . . 0.0 110.805 170.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -94.6 153.57 3.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.523 0.678 . . . . 0.0 110.713 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.515 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 3.6 mtp-105 -66.61 -139.62 0.0 OUTLIER 'General case' 0 C--O 1.245 0.82 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.993 170.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--O 1.27 2.153 0 O-C-N 121.128 -0.982 . . . . 0.0 111.249 170.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 CA--C 1.513 -0.454 0 CA-C-O 121.416 0.627 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.27 -93.87 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 170.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 p -132.33 -156.36 0.75 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.375 1.083 . . . . 0.0 111.726 -166.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t -79.48 146.29 32.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.193 1.473 . . . . 0.0 114.128 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.95 -178.86 5.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.285 1.04 . . . . 0.0 109.961 167.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 -170.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.478 ' HB3' ' CG ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -124.95 53.43 1.49 Allowed 'General case' 0 C--O 1.243 0.751 0 CA-C-O 121.389 0.614 . . . . 0.0 112.358 -175.466 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -63.73 143.39 57.88 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.188 0.994 . . . . 0.0 111.103 169.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' SER . 27.6 m 89.93 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 125.416 1.487 . . . . 0.0 112.515 169.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 1.1 m 144.29 11.25 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 125.196 1.398 . . . . 0.0 114.593 -167.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 28.5 mttt 73.26 12.67 4.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.361 1.437 . . . . 0.0 111.636 175.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -135.34 32.9 3.08 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.366 -0.834 . . . . 0.0 110.668 168.82 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.27 147.63 10.47 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-O 122.23 0.906 . . . . 0.0 111.283 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -166.63 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.412 1.101 . . . . 0.0 111.55 -170.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 123.46 49.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.459 0.704 . . . . 0.0 111.076 -170.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 25' ' ' SER . 0.6 OUTLIER -99.82 107.21 19.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.947 0.88 . . . . 0.0 111.835 170.384 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 108.91 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.4 1.095 . . . . 0.0 111.478 -167.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.9 p -95.06 -174.19 3.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.761 0.791 . . . . 0.0 111.225 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 mm -73.07 107.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.777 0.799 . . . . 0.0 111.092 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.23 68.79 Favored Glycine 0 C--N 1.32 -0.336 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.53 175.06 0.25 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.978 -0.719 . . . . 0.0 110.996 171.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -141.61 -177.79 5.34 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.125 0.964 . . . . 0.0 112.928 170.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -134.9 -163.77 1.42 Allowed 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.666 -0.646 . . . . 0.0 111.007 171.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.11 132.44 56.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.486 1.136 . . . . 0.0 111.847 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.516 ' HB3' HD23 ' A' ' 16' ' ' LEU . 87.4 p -110.13 84.94 2.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.873 0.844 . . . . 0.0 110.476 170.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -53.45 144.25 17.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.796 0.808 . . . . 0.0 111.397 -170.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -71.8 164.38 58.82 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 122.153 0.977 . . . . 0.0 111.136 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -61.14 97.01 0.12 Allowed 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.549 4.832 . . . . 0.0 114.363 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.85 -7.94 5.19 Favored Glycine 0 N--CA 1.463 0.488 0 O-C-N 120.998 -1.064 . . . . 0.0 112.982 -171.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 2.6 m-85 -138.15 140.41 39.85 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.503 -0.998 . . . . 0.0 111.312 -167.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -150.17 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.794 1.283 . . . . 0.0 112.486 -178.711 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 148.25 18.35 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -42.47 -31.78 2.01 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.228 4.619 . . . . 0.0 115.01 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.57 20.94 12.28 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.637 -0.664 . . . . 0.0 111.496 -177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.24 45.78 13.11 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.071 0.939 . . . . 0.0 110.258 -169.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 2.9 pt-20 -97.01 5.61 50.12 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.325 -172.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.488 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 12.2 m-85 -131.94 156.14 46.7 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.196 -0.94 . . . . 0.0 111.43 170.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.01 140.42 17.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.49 0.662 . . . . 0.0 109.705 169.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 31' ' ' TYR . 1.7 ptt85 -86.78 -5.09 59.22 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -168.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.274 2.382 0 O-C-N 121.208 -0.932 . . . . 0.0 111.723 -171.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.479 0 CA-C-O 121.809 0.814 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.447 ' CB ' ' CG ' ' A' ' 17' ' ' GLU . . . -78.68 -73.38 0.33 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.365 0.602 . . . . 0.0 110.522 170.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.609 ' HB3' ' CD1' ' A' ' 22' ' ' TYR . 38.3 t -178.75 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.301 0.572 . . . . 0.0 111.739 175.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.99 134.77 13.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.737 1.256 . . . . 0.0 111.382 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -133.58 156.95 46.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.58 170.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -17.58 0.73 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 112.413 -171.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.86 -67.71 0.65 Allowed 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.32 0.581 . . . . 0.0 111.971 168.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 85.67 -157.03 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.816 0 O-C-N 119.996 -1.69 . . . . 0.0 110.05 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.78 78.83 7.52 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 121.509 -0.744 . . . . 0.0 112.491 -169.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m 52.71 30.11 8.37 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.55 -0.719 . . . . 0.0 112.057 -171.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt 49.23 34.84 6.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.615 1.198 . . . . 0.0 110.854 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.436 HE22 HG22 ' A' ' 38' ' ' VAL . 4.0 tt0 -133.98 25.71 3.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.727 0.775 . . . . 0.0 110.825 -171.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.43 157.86 14.23 Favored Glycine 0 C--N 1.32 -0.354 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -98.08 138.59 35.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.033 -171.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 134.91 53.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.963 0.887 . . . . 0.0 110.752 171.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 16' ' ' LEU . 5.4 mt -113.92 83.81 1.93 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.383 1.087 . . . . 0.0 110.36 170.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' CG ' ' CB ' ' A' ' 2' ' ' ALA . 6.2 tt0 -74.63 104.95 5.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.545 1.164 . . . . 0.0 111.169 -170.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 p -98.58 -169.88 1.86 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.41 1.1 . . . . 0.0 111.713 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.43 115.85 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.948 0.88 . . . . 0.0 111.069 171.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 28.23 60.57 Favored Glycine 0 N--CA 1.462 0.399 0 O-C-N 121.872 -0.518 . . . . 0.0 112.783 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 170.98 172.74 0.07 Allowed 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.985 -0.715 . . . . 0.0 110.775 170.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CD1' ' HB3' ' A' ' 3' ' ' SER . 0.0 OUTLIER -127.2 -171.85 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.873 1.32 . . . . 0.0 112.613 170.69 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.3 p -135.44 -168.62 2.23 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.405 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.7 m -127.92 124.05 36.42 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.389 -0.819 . . . . 0.0 110.585 170.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -96.62 74.59 2.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.838 0.828 . . . . 0.0 110.662 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -54.0 137.77 38.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.675 0.75 . . . . 0.0 111.231 -170.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 23.9 m-85 -46.11 158.9 0.35 Allowed Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.367 0.603 . . . . 0.0 110.051 170.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 10.2 Cg_endo -86.02 48.7 2.11 Favored 'Trans proline' 0 N--CA 1.533 3.813 1 C-N-CA 126.153 4.569 . . . . 0.0 117.097 -172.591 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.37 22.15 0.22 Allowed Glycine 0 N--CA 1.465 0.57 0 O-C-N 121.123 -0.986 . . . . 0.0 111.598 166.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CE1' HG13 ' A' ' 38' ' ' VAL . 13.9 m-85 -138.54 168.95 18.67 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.67 -0.9 . . . . 0.0 111.271 -171.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 39' ' ' ARG . 1.7 p90 -163.14 169.68 18.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.412 1.101 . . . . 0.0 112.552 -173.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.99 152.48 26.71 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -170.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -40.66 -26.69 0.25 Allowed 'Trans proline' 0 N--CA 1.53 3.645 1 C-N-CA 126.509 4.806 . . . . 0.0 115.629 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -125.19 21.63 8.0 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.487 -0.758 . . . . 0.0 111.851 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 46.23 13.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.001 0.905 . . . . 0.0 110.434 -170.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CD ' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -96.07 -18.51 20.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 -172.721 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' CD ' ' A' ' 36' ' ' GLU . 97.9 m-85 -102.12 118.81 37.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.775 0.798 . . . . 0.0 110.478 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.677 HG13 ' CE1' ' A' ' 30' ' ' PHE . 2.8 t -86.67 148.83 4.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.504 171.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -66.26 -9.37 31.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 170.313 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.18 0 CA-C-O 122.105 0.955 . . . . 0.0 111.074 -173.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 121.657 0.741 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.25 -96.94 0.05 OUTLIER 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.013 0.525 . . . . 0.0 112.303 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.438 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 16.7 p -167.62 116.01 0.78 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.147 0.975 . . . . 0.0 112.935 -169.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 85.49 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 124.941 1.296 . . . . 0.0 112.413 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.67 -159.34 0.73 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.331 170.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.76 -56.09 24.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.259 1.028 . . . . 0.0 110.823 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 ptp -83.8 12.38 6.11 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -172.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 16.82 -92.48 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.381 1.472 . . . . 0.0 113.651 -168.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.21 63.43 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.972 0.891 . . . . 0.0 110.935 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m 59.64 29.72 19.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.571 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 57.17 33.86 23.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.701 0.763 . . . . 0.0 110.95 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.462 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 1.3 tt0 -134.53 -0.17 2.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -172.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.02 169.26 42.37 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -171.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.91 179.34 4.83 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.546 -0.973 . . . . 0.0 111.156 -170.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.4 t -110.52 114.47 27.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.657 0.741 . . . . 0.0 111.557 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 25' ' ' SER . 6.6 mt -98.65 75.26 2.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.889 0.852 . . . . 0.0 110.726 170.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 8.8 tm-20 -69.25 148.98 49.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.108 0.956 . . . . 0.0 111.233 -170.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -144.13 179.8 6.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.234 -170.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 20' ' ' GLY . 49.1 mm -9.36 -101.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 114.077 170.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -114.2 34.01 5.15 Favored Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.676 -0.64 . . . . 0.0 111.924 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -161.74 -169.46 2.25 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.777 -0.837 . . . . 0.0 111.017 170.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.438 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 2.2 p90 -136.35 170.54 15.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.073 0.939 . . . . 0.0 110.998 168.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -137.13 -176.11 4.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.759 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.6 m -125.29 141.95 51.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.226 1.012 . . . . 0.0 111.937 -173.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB3' HD11 ' A' ' 16' ' ' LEU . 59.8 p -104.9 82.57 1.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.033 0.92 . . . . 0.0 109.702 168.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.13 127.9 34.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.08 0.943 . . . . 0.0 111.88 -169.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 11.2 m-30 -49.74 156.12 1.29 Allowed Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 121.874 0.845 . . . . 0.0 110.756 170.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 55.7 Cg_endo -62.28 108.95 0.75 Allowed 'Trans proline' 0 N--CA 1.531 3.693 1 C-N-CA 126.479 4.786 . . . . 0.0 114.639 -174.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.69 -4.46 8.61 Favored Glycine 0 C--O 1.243 0.693 0 O-C-N 120.841 -1.162 . . . . 0.0 112.368 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' CE2' ' HG2' ' A' ' 12' ' ' GLN . 20.1 m-85 -129.82 164.01 25.03 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.14 -1.212 . . . . 0.0 110.893 -177.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.61 176.44 12.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.331 1.062 . . . . 0.0 112.216 -176.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.04 151.24 27.02 Favored Glycine 0 N--CA 1.46 0.3 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -170.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -44.39 -36.37 9.46 Favored 'Trans proline' 0 N--CA 1.528 3.518 1 C-N-CA 126.263 4.642 . . . . 0.0 114.961 175.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -108.86 18.58 20.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.142 0.496 . . . . 0.0 111.865 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 m 45.17 36.97 2.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.913 0.863 . . . . 0.0 110.789 -170.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.39 0.91 43.98 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -173.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -122.65 139.52 53.85 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.305 -0.872 . . . . 0.0 110.845 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.685 HG12 ' H ' ' A' ' 40' ' ' GLU . 43.1 t -111.98 152.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -70.53 -4.48 23.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.685 ' H ' HG12 ' A' ' 38' ' ' VAL . 3.7 mm-40 . . . . . 0 C--O 1.271 2.212 0 CA-C-O 121.841 0.829 . . . . 0.0 111.827 170.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 52.8 m . . . . . 0 CA--C 1.511 -0.525 0 CA-C-O 121.659 0.742 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.53 -173.95 3.53 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.703 0.763 . . . . 0.0 111.187 170.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.483 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 8.9 p -152.66 -110.35 0.04 OUTLIER 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.219 171.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.29 109.46 12.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.252 1.025 . . . . 0.0 111.077 -169.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.21 -176.81 4.07 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.146 0.974 . . . . 0.0 110.259 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -25.69 47.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.933 -169.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -71.98 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 111.7 167.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 t 63.94 -102.83 0.1 Allowed 'General case' 0 C--N 1.318 -0.789 0 O-C-N 120.132 -1.605 . . . . 0.0 110.437 -172.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.8 m -115.81 57.64 0.75 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 110.978 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.31 30.14 1.43 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.253 -0.904 . . . . 0.0 111.435 -170.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 53.73 48.91 20.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.788 0.804 . . . . 0.0 111.169 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.63 14.11 2.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.203 171.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.81 172.19 45.08 Favored Glycine 0 C--N 1.32 -0.344 0 CA-C-O 122.088 0.827 . . . . 0.0 111.816 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.1 138.19 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.009 0.909 . . . . 0.0 111.298 -171.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.2 t -76.39 128.15 34.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.628 0.728 . . . . 0.0 111.447 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 25' ' ' SER . 6.8 mt -118.3 73.74 0.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.051 0.929 . . . . 0.0 110.518 171.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 22' ' ' TYR . 4.1 tm-20 -45.88 133.79 8.29 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.351 0.66 . . . . 0.0 111.864 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 p -117.8 -166.5 1.21 Allowed 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.51 -0.744 . . . . 0.0 110.88 170.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.6 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -169.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.73 20.24 0.17 Allowed Glycine 0 N--CA 1.464 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.942 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 173.34 118.21 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.648 -0.913 . . . . 0.0 110.983 -172.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.491 ' CB ' ' HA ' ' A' ' 17' ' ' GLU . 10.4 p90 -81.06 168.39 18.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 122.61 1.195 . . . . 0.0 111.87 -175.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -138.21 143.17 40.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.855 -176.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -96.31 135.49 38.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.424 1.107 . . . . 0.0 112.115 -168.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.631 ' HB3' HD11 ' A' ' 16' ' ' LEU . 7.9 p -103.84 81.9 1.93 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.829 0.823 . . . . 0.0 110.365 169.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.88 136.27 40.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.249 1.023 . . . . 0.0 111.863 -170.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.61 162.88 53.33 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.947 170.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -54.92 125.12 18.07 Favored 'Trans proline' 0 N--CA 1.533 3.809 1 C-N-CA 126.286 4.657 . . . . 0.0 114.535 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.87 8.4 39.63 Favored Glycine 0 C--O 1.24 0.53 0 O-C-N 120.702 -1.249 . . . . 0.0 112.041 174.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -138.91 155.23 48.22 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.507 -0.996 . . . . 0.0 111.153 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 2.1 p90 -155.78 175.51 13.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.301 1.048 . . . . 0.0 111.714 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.98 161.14 28.59 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 -170.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.69 -2.19 4.99 Favored 'Trans proline' 0 N--CA 1.529 3.582 1 C-N-CA 126.053 4.502 . . . . 0.0 116.235 -176.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.12 21.82 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.19 -0.944 . . . . 0.0 111.196 170.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.26 52.91 11.52 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.303 -0.873 . . . . 0.0 110.715 -170.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -92.98 -31.59 14.84 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.407 0.623 . . . . 0.0 111.568 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 40.2 m-85 -104.86 139.7 39.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.754 0.788 . . . . 0.0 110.784 -171.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -112.05 145.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.769 0.795 . . . . 0.0 111.299 -171.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -81.12 167.16 20.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.664 0.745 . . . . 0.0 111.268 171.242 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.27 2.157 0 CA-C-O 122.282 1.039 . . . . 0.0 111.333 172.082 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.325 0.583 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' THR . . . -179.91 -34.44 0.01 OUTLIER 'General case' 0 C--O 1.251 1.151 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -171.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.599 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -178.53 -75.41 0.01 OUTLIER 'General case' 0 C--O 1.248 1.006 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.525 -170.343 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 44.9 t -159.99 131.14 5.84 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 120.662 -1.274 . . . . 0.0 112.235 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.93 -169.49 1.53 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.856 0.836 . . . . 0.0 110.673 170.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.09 -51.18 70.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.506 -170.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.492 ' HG2' ' CD ' ' A' ' 11' ' ' LYS . 29.3 mtt -116.81 48.23 1.33 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.027 -174.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.44 123.09 4.54 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.207 1.004 . . . . 0.0 112.265 170.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 m 67.06 48.59 1.21 Allowed 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 168.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 74.3 8.33 4.57 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.24 -0.913 . . . . 0.0 112.439 170.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' CD ' ' HG2' ' A' ' 7' ' ' MET . 22.2 mtmt 60.06 40.6 18.37 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.126 -0.984 . . . . 0.0 110.914 -170.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -137.75 20.83 2.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.589 0.709 . . . . 0.0 110.944 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.74 163.21 28.13 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -170.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.37 -173.39 2.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.234 1.016 . . . . 0.0 111.493 -170.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -114.96 124.23 51.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.427 0.632 . . . . 0.0 110.778 -174.554 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.33 115.76 30.74 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.779 -0.576 . . . . 0.0 111.393 169.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.599 ' HG2' ' CB ' ' A' ' 3' ' ' SER . 12.1 mp0 -102.98 134.48 46.36 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.836 1.303 . . . . 0.0 110.42 -169.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -134.19 -170.18 2.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.951 1.358 . . . . 0.0 112.399 -166.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -69.42 0.1 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -167.478 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.75 32.4 0.09 OUTLIER Glycine 0 N--CA 1.463 0.438 0 O-C-N 121.5 -0.75 . . . . 0.0 112.266 171.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 163.84 178.47 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.834 0.826 . . . . 0.0 110.648 -175.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.491 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 1.4 p90 -123.77 167.77 13.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 123.084 1.421 . . . . 0.0 113.439 169.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.0 p -117.67 -166.1 1.16 Allowed 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.709 167.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.2 m -114.72 148.21 38.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.422 1.106 . . . . 0.0 111.972 170.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.0 p -115.58 83.75 1.98 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.943 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -49.28 142.52 7.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.874 0.845 . . . . 0.0 111.899 -169.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 6.7 m-30 -62.65 157.42 58.05 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 121.547 0.689 . . . . 0.0 110.464 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 26.8 Cg_endo -57.45 102.27 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.69 1 C-N-CA 126.486 4.791 . . . . 0.0 114.795 -174.225 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.43 9.37 Favored Glycine 0 C--O 1.242 0.609 0 O-C-N 120.8 -1.187 . . . . 0.0 111.631 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -138.82 149.81 45.34 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.411 -1.052 . . . . 0.0 111.244 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -162.41 156.22 20.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.206 1.003 . . . . 0.0 111.62 -173.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.63 160.32 13.8 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -170.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -42.96 -31.23 2.16 Favored 'Trans proline' 0 N--CA 1.528 3.523 1 C-N-CA 126.309 4.673 . . . . 0.0 115.118 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -127.54 21.44 6.56 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 121.759 -0.588 . . . . 0.0 111.821 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.425 -0.797 . . . . 0.0 110.984 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 4.5 pt-20 -91.78 -24.81 19.3 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.749 -0.594 . . . . 0.0 112.055 -170.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 48.9 m-85 -98.42 158.37 15.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.661 0.743 . . . . 0.0 110.981 174.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.4 t -125.48 142.77 41.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.011 0.91 . . . . 0.0 111.069 -171.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HG2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -117.72 -174.03 2.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.754 0.787 . . . . 0.0 111.086 172.761 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.27 2.17 0 CA-C-O 122.034 0.921 . . . . 0.0 111.011 171.087 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.702 0.763 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.53 -92.02 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.493 0.664 . . . . 0.0 111.6 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -119.03 122.53 42.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.475 1.131 . . . . 0.0 111.159 -169.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 1.8 p -26.7 131.89 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 125.463 1.505 . . . . 0.0 113.22 169.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -137.62 -93.8 0.21 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.358 0.599 . . . . 0.0 112.31 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.04 -39.05 7.91 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.389 -0.819 . . . . 0.0 110.845 -170.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 ttm -120.32 53.02 1.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.65 0.738 . . . . 0.0 111.49 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -42.96 103.06 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.683 0.754 . . . . 0.0 111.774 169.811 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m 51.43 50.29 19.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.256 173.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m 67.45 23.86 8.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.224 0.535 . . . . 0.0 111.589 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 45.74 45.91 11.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.82 0.819 . . . . 0.0 110.986 -171.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -136.85 20.27 3.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.252 0.549 . . . . 0.0 111.812 -170.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.72 162.68 28.65 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-O 122.163 0.868 . . . . 0.0 111.653 -170.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.46 126.37 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.81 0.815 . . . . 0.0 111.247 -171.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.84 129.14 38.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 111.466 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -117.15 75.19 0.96 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.183 0.992 . . . . 0.0 110.58 170.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 127.94 34.91 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.553 1.168 . . . . 0.0 111.379 -170.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 p -104.62 -173.88 2.41 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.997 0.919 . . . . 0.0 110.767 171.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.02 115.94 8.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.72 0.771 . . . . 0.0 110.748 171.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.04 31.08 78.32 Favored Glycine 0 C--O 1.239 0.427 0 O-C-N 121.968 -0.458 . . . . 0.0 112.251 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 173.85 -179.21 0.09 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.844 -0.798 . . . . 0.0 110.968 170.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.21 178.32 7.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.86 1.314 . . . . 0.0 112.763 169.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -138.13 138.3 38.53 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.037 170.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 m -97.82 126.43 43.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.858 0.837 . . . . 0.0 111.146 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.9 p -96.92 81.7 3.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.885 0.85 . . . . 0.0 110.654 170.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.49 139.68 36.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.261 1.029 . . . . 0.0 111.409 -170.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.412 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 24.2 m-85 -53.01 156.4 3.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 122.007 0.908 . . . . 0.0 111.185 171.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 72.5 Cg_endo -66.84 111.38 2.16 Favored 'Trans proline' 0 N--CA 1.531 3.711 1 C-N-CA 126.533 4.822 . . . . 0.0 114.565 -178.186 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.16 -12.02 8.1 Favored Glycine 0 C--O 1.242 0.617 0 O-C-N 120.705 -1.247 . . . . 0.0 112.588 -170.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.18 153.28 49.6 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.264 -1.139 . . . . 0.0 110.877 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.57 172.43 17.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.232 1.015 . . . . 0.0 111.469 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.81 159.87 26.66 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.97 -24.5 2.26 Favored 'Trans proline' 0 N--CA 1.528 3.549 1 C-N-CA 126.33 4.687 . . . . 0.0 115.168 -177.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.78 20.12 4.62 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.494 -0.753 . . . . 0.0 111.608 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 45.72 48.72 11.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.223 1.011 . . . . 0.0 110.473 -169.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 5.3 pt-20 -98.38 -26.78 14.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -171.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 10.9 m-85 -106.91 148.84 28.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.816 0.817 . . . . 0.0 110.7 -177.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -108.99 145.85 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.447 0.642 . . . . 0.0 110.734 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -70.94 -126.65 0.0 OUTLIER 'General case' 0 C--O 1.245 0.849 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.473 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.269 2.095 0 O-C-N 121.085 -1.009 . . . . 0.0 111.861 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.487 0.661 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.445 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . . . -62.14 -71.99 0.14 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.803 0.811 . . . . 0.0 111.141 171.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 22' ' ' TYR . 20.7 m -167.05 -58.97 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.562 0.696 . . . . 0.0 112.847 -168.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 32.5 t -49.56 100.79 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.44 1.114 . . . . 0.0 112.257 -169.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -166.63 1.27 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.184 170.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -48.78 -65.85 0.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.317 1.056 . . . . 0.0 111.891 -170.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.8 41.51 1.11 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 111.105 -172.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -40.28 118.22 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.177 -0.952 . . . . 0.0 113.048 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 m 50.93 45.84 27.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.719 0.771 . . . . 0.0 111.486 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.36 36.62 20.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.321 0.581 . . . . 0.0 111.678 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 51.56 27.14 3.69 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.875 0.845 . . . . 0.0 111.322 173.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -129.79 28.17 5.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.549 0.69 . . . . 0.0 111.325 -170.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.87 158.05 13.15 Favored Glycine 0 N--CA 1.462 0.41 0 CA-C-O 121.873 0.707 . . . . 0.0 111.48 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -98.77 132.33 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.669 0.747 . . . . 0.0 111.252 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 18.3 p -70.28 119.55 14.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 122.363 1.077 . . . . 0.0 111.68 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 25' ' ' SER . 4.9 mt -102.71 77.3 1.58 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.658 1.218 . . . . 0.0 110.115 170.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 2' ' ' ALA . 7.2 tm-20 -67.82 156.77 36.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.613 1.197 . . . . 0.0 112.916 -168.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 p -146.33 -176.82 5.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.875 0.845 . . . . 0.0 110.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 19' ' ' ILE . 27.5 mm -77.84 9.26 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.941 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.75 20.8 0.11 Allowed Glycine 0 N--CA 1.463 0.496 0 O-C-N 121.445 -0.784 . . . . 0.0 112.423 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 164.43 -179.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.671 -0.9 . . . . 0.0 110.663 -170.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CG ' ' CB ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -127.87 178.34 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 123.425 1.583 . . . . 0.0 113.051 169.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -137.95 135.94 36.51 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.832 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.3 m -98.49 128.2 44.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.169 0.985 . . . . 0.0 111.192 -171.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.402 ' HB3' HD11 ' A' ' 16' ' ' LEU . 6.4 p -96.74 84.01 3.54 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.714 0.768 . . . . 0.0 110.966 173.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.5 m -57.9 124.42 19.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.958 0.885 . . . . 0.0 110.948 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -51.28 159.41 1.11 Allowed Pre-proline 0 CA--C 1.51 -0.559 0 CA-C-O 121.707 0.765 . . . . 0.0 110.74 170.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.72 120.61 8.06 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.128 4.552 . . . . 0.0 114.436 -174.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.486 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 106.73 -2.0 36.26 Favored Glycine 0 C--O 1.24 0.521 0 O-C-N 120.729 -1.232 . . . . 0.0 111.773 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.11 161.07 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.469 -1.018 . . . . 0.0 110.645 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -155.56 175.87 13.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.356 1.074 . . . . 0.0 111.942 -178.591 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.52 150.5 25.39 Favored Glycine 0 N--CA 1.462 0.391 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -170.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.18 -29.29 1.07 Allowed 'Trans proline' 0 N--CA 1.53 3.619 1 C-N-CA 126.255 4.637 . . . . 0.0 115.177 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -126.31 22.35 7.15 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.615 -0.678 . . . . 0.0 111.848 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.012 0.91 . . . . 0.0 110.617 -170.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.47 17.21 24.56 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 66.7 m-85 -138.39 140.25 39.29 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.351 -0.843 . . . . 0.0 111.227 171.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -101.15 136.15 34.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 0.0 110.794 176.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 54.8 mtp85 -50.12 132.4 23.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.683 0.754 . . . . 0.0 111.115 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 . . . . . 0 C--O 1.27 2.153 0 CA-C-O 121.99 0.9 . . . . 0.0 111.072 176.352 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.424 HG23 ' CD ' ' A' ' 5' ' ' GLN . 1.9 m . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 121.556 0.693 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.81 -96.26 0.03 OUTLIER 'General case' 0 C--O 1.243 0.715 0 C-N-CA 123.325 0.65 . . . . 0.0 112.075 171.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.534 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 83.5 p -138.25 123.68 19.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.61 1.195 . . . . 0.0 113.581 -167.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 35.31 89.54 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.135 1.774 . . . . 0.0 114.025 168.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' CD ' HG23 ' A' ' 1' ' ' THR . 7.4 pt20 -127.16 -154.12 0.61 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.681 -0.637 . . . . 0.0 109.838 168.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -69.43 0.13 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.387 1.089 . . . . 0.0 111.928 -171.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 ttp -92.11 48.63 1.44 Allowed 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.311 -0.868 . . . . 0.0 112.16 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.12 108.87 0.85 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.049 0.928 . . . . 0.0 110.638 170.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.39 42.9 31.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 111.589 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.09 29.78 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.67 0.748 . . . . 0.0 111.096 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt 43.58 42.6 4.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.587 0.708 . . . . 0.0 111.396 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -135.42 16.17 3.42 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.693 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.2 38.91 Favored Glycine 0 N--CA 1.463 0.437 0 O-C-N 121.479 -0.763 . . . . 0.0 111.259 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -98.34 139.11 34.59 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.633 -0.922 . . . . 0.0 111.799 -170.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 128.86 33.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.018 0.913 . . . . 0.0 111.293 -176.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD12 ' OG1' ' A' ' 23' ' ' THR . 0.1 OUTLIER -115.15 75.4 0.93 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.938 0.875 . . . . 0.0 110.428 169.196 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HG3' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -66.56 153.88 41.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.675 1.226 . . . . 0.0 112.36 -169.166 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.0 p -143.89 -176.12 4.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.685 -170.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.53 108.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 0.0 110.721 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.55 82.25 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 173.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -177.08 176.55 1.38 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.56 1.171 . . . . 0.0 111.301 172.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.15 157.53 44.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.299 1.047 . . . . 0.0 111.28 170.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.458 ' OG1' HD12 ' A' ' 16' ' ' LEU . 49.1 p -118.97 170.64 8.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.735 170.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 m -118.3 140.72 49.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.659 1.219 . . . . 0.0 112.416 174.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.3 p -103.84 78.19 1.53 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.48 167.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.25 133.68 28.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.55 0.69 . . . . 0.0 111.379 -169.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -52.96 163.42 0.85 Allowed Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.807 0.813 . . . . 0.0 110.762 -177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.05 104.68 0.6 Allowed 'Trans proline' 0 N--CA 1.53 3.647 1 C-N-CA 126.615 4.877 . . . . 0.0 114.484 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.66 -15.75 6.63 Favored Glycine 0 C--O 1.242 0.607 0 O-C-N 120.884 -1.135 . . . . 0.0 112.449 -172.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 4.7 m-85 -126.01 163.68 22.5 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.246 -1.149 . . . . 0.0 110.748 -175.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.95 177.62 6.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.868 0.842 . . . . 0.0 111.27 -174.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.45 162.11 37.62 Favored Glycine 0 C--N 1.321 -0.285 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -171.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.88 -57.66 1.63 Allowed 'Trans proline' 0 N--CA 1.528 3.512 1 C-N-CA 126.481 4.787 . . . . 0.0 114.989 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -99.77 22.34 11.18 Favored 'General case' 0 C--O 1.242 0.675 0 O-C-N 121.663 -0.648 . . . . 0.0 111.338 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 54.07 48.92 19.98 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.217 -0.927 . . . . 0.0 110.521 -170.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -83.48 -21.8 32.72 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.247 -177.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.26 145.18 27.55 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.634 -175.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.67 138.32 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -71.72 -118.92 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.124 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.271 2.195 0 CA-C-O 121.909 0.861 . . . . 0.0 110.725 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 39.7 p . . . . . 0 CA--C 1.513 -0.465 0 CA-C-O 121.962 0.887 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 25.32 91.13 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 125.762 1.625 . . . . 0.0 114.055 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -121.33 -165.44 1.23 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.669 0.747 . . . . 0.0 111.442 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.51 -52.22 55.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.015 0.912 . . . . 0.0 111.306 -170.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -111.23 59.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.635 0.731 . . . . 0.0 111.499 178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.542 0.687 . . . . 0.0 111.501 169.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.39 62.95 1.35 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.947 0.879 . . . . 0.0 110.981 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.88 24.88 14.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.487 0.661 . . . . 0.0 111.323 -173.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp 44.62 47.7 8.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.928 0.87 . . . . 0.0 111.233 -171.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -133.87 29.28 3.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.067 0.937 . . . . 0.0 111.353 -173.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.6 170.5 36.44 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.66 145.05 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.052 0.929 . . . . 0.0 111.109 -172.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.27 131.97 37.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.613 0.721 . . . . 0.0 110.984 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.43 77.36 1.05 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.179 0.99 . . . . 0.0 110.673 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 22' ' ' TYR . 1.5 mt-10 -56.23 163.48 1.62 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.617 1.198 . . . . 0.0 112.019 -170.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.8 -170.66 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.796 -170.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -65.51 -4.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -171.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.68 31.16 0.07 OUTLIER Glycine 0 C--N 1.319 -0.403 0 N-CA-C 110.724 -0.951 . . . . 0.0 110.724 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.35 -154.93 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.93 -0.747 . . . . 0.0 110.607 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.453 ' CB ' ' HA ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -160.8 -179.69 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.55 1.167 . . . . 0.0 112.461 169.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 p -137.09 -163.96 1.51 Allowed 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.49 169.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.1 m -136.05 131.48 34.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.41 1.1 . . . . 0.0 111.936 -170.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 p -105.56 86.53 2.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.883 0.849 . . . . 0.0 110.775 170.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.93 130.66 38.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.939 0.876 . . . . 0.0 111.702 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 20.3 m-85 -51.89 156.43 2.52 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 121.829 0.824 . . . . 0.0 111.012 171.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 91.0 Cg_endo -72.73 102.83 1.47 Allowed 'Trans proline' 0 N--CA 1.531 3.735 1 C-N-CA 126.214 4.609 . . . . 0.0 114.701 -178.239 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.96 -22.59 3.6 Favored Glycine 0 C--N 1.318 -0.436 0 O-C-N 120.818 -1.176 . . . . 0.0 110.712 -169.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 13.9 m-85 -114.65 167.62 10.59 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.895 -0.768 . . . . 0.0 111.106 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.403 ' CE1' ' HG2' ' A' ' 39' ' ' ARG . 2.1 p90 -159.86 177.66 10.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.223 1.011 . . . . 0.0 111.779 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.9 159.66 30.56 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -170.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.3 -0.08 2.61 Favored 'Trans proline' 0 N--CA 1.53 3.631 1 C-N-CA 125.985 4.457 . . . . 0.0 116.3 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.37 18.87 2.75 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.274 -0.891 . . . . 0.0 111.346 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 49.83 10.56 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.791 0.805 . . . . 0.0 111.251 -171.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.81 -10.67 21.54 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -104.81 163.84 12.21 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.349 -0.844 . . . . 0.0 110.936 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.42 137.88 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 111.014 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 1.2 mtm105 . . . . . 0 C--N 1.32 -0.705 0 CA-C-O 121.547 0.689 . . . . 0.0 111.07 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 33.2 p . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 123.191 1.472 . . . . 0.0 111.784 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 30.25 89.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 126.142 1.777 . . . . 0.0 114.061 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -106.28 -130.62 0.29 Allowed 'General case' 0 C--O 1.25 1.092 0 O-C-N 121.915 -0.49 . . . . 0.0 110.163 169.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.2 -39.36 10.13 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.889 -1.132 . . . . 0.0 110.571 -169.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.62 42.41 1.18 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.402 171.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.19 117.42 0.98 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.421 -0.799 . . . . 0.0 111.552 169.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 40.93 75.77 0.08 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.363 0.602 . . . . 0.0 111.378 -170.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.45 -96.45 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.247 0.619 . . . . 0.0 111.189 -174.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -166.3 32.21 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.339 1.066 . . . . 0.0 110.728 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -8.81 8.26 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.708 -0.62 . . . . 0.0 112.438 -173.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 26' ' ' CYS . . . -157.39 172.3 34.77 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-O 122.313 0.952 . . . . 0.0 112.271 -170.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -105.91 -177.99 3.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.739 0.781 . . . . 0.0 111.149 -171.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.97 139.97 45.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.69 0.757 . . . . 0.0 111.848 -170.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 25' ' ' SER . 7.6 mt -128.0 68.62 1.33 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.358 1.075 . . . . 0.0 110.347 169.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 0.4 OUTLIER -54.18 163.28 0.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.331 1.062 . . . . 0.0 111.526 -170.549 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -145.31 -177.04 5.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.473 0.654 . . . . 0.0 110.665 -170.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -170.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.61 29.42 0.19 Allowed Glycine 0 C--N 1.317 -0.521 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.95 -160.59 0.06 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 110.749 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.2 163.35 40.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.583 1.183 . . . . 0.0 111.979 170.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 p -124.55 -179.01 4.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.668 170.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -127.76 128.81 45.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.236 1.017 . . . . 0.0 112.12 -170.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.607 ' HB3' HD11 ' A' ' 16' ' ' LEU . 19.3 p -103.75 76.34 1.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.99 0.9 . . . . 0.0 109.429 169.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . 56.3 m -70.27 152.89 43.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.596 1.189 . . . . 0.0 112.613 -168.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.413 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 3.5 m-30 -59.33 152.65 52.62 Favored Pre-proline 0 CA--C 1.51 -0.584 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.472 170.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 43.7 Cg_endo -61.95 118.26 5.13 Favored 'Trans proline' 0 N--CA 1.533 3.804 1 C-N-CA 126.038 4.492 . . . . 0.0 114.514 -174.235 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.523 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 106.59 21.91 8.02 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.682 -1.261 . . . . 0.0 111.796 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -138.81 151.42 47.03 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.499 -1.001 . . . . 0.0 111.18 170.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.1 171.9 19.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.32 1.057 . . . . 0.0 112.005 -172.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.58 161.07 25.01 Favored Glycine 0 N--CA 1.46 0.269 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -170.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -43.96 -52.3 5.65 Favored 'Trans proline' 0 N--CA 1.528 3.529 1 C-N-CA 126.309 4.672 . . . . 0.0 114.838 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -100.38 19.97 15.69 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.279 0.561 . . . . 0.0 111.551 172.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m 46.38 40.67 8.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.029 0.918 . . . . 0.0 110.678 -168.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.02 20.49 4.22 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.899 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -133.44 141.4 47.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.907 0.861 . . . . 0.0 110.749 170.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.27 138.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.422 0.629 . . . . 0.0 110.459 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.523 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 10.5 mtp180 . . . . . 0 C--N 1.319 -0.737 0 CA-C-O 121.779 0.8 . . . . 0.0 111.566 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.574 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 93.8 p . . . . . 0 C--O 1.242 0.674 0 CA-C-O 121.009 0.433 . . . . 0.0 111.62 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.442 ' HB3' ' HB3' ' A' ' 8' ' ' SER . 53.6 m -87.1 143.45 27.31 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.264 -0.897 . . . . 0.0 111.57 -169.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.69 -163.48 1.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.496 0.665 . . . . 0.0 110.903 171.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.12 -54.4 10.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.255 1.026 . . . . 0.0 111.057 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -99.3 68.56 1.64 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 170.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -44.19 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.01 0.433 . . . . 0.0 112.139 171.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 m -122.63 46.69 2.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.518 0.675 . . . . 0.0 111.359 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m 66.03 26.09 10.86 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.612 -0.68 . . . . 0.0 111.242 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt 47.74 35.88 5.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.031 0.92 . . . . 0.0 111.0 -173.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.486 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 1.5 tt0 -133.24 30.1 3.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.303 0.573 . . . . 0.0 111.698 -177.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.427 ' HA2' ' CD1' ' A' ' 27' ' ' TYR . . . 177.78 164.26 30.85 Favored Glycine 0 N--CA 1.462 0.388 0 CA-C-O 122.014 0.785 . . . . 0.0 111.19 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -99.99 150.03 22.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.945 0.878 . . . . 0.0 111.325 -170.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -72.96 140.67 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.15 0.976 . . . . 0.0 111.81 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.021 HD11 ' HB3' ' A' ' 25' ' ' SER . 9.3 mt -131.86 71.06 1.46 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.918 0.866 . . . . 0.0 111.001 170.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.574 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 12.7 mp0 -63.9 152.86 38.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.042 0.925 . . . . 0.0 110.958 -171.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -139.63 -171.27 3.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.43 0.633 . . . . 0.0 110.76 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.17 102.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.838 0.828 . . . . 0.0 110.885 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.13 36.64 92.15 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 171.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 178.81 -167.74 0.08 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.899 0.857 . . . . 0.0 111.101 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.524 ' CG ' ' HA ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -151.15 170.64 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.539 1.161 . . . . 0.0 112.378 170.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -132.95 -171.17 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.627 170.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 m -127.64 150.85 49.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.575 1.178 . . . . 0.0 111.787 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 1.021 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.2 p -109.19 78.59 1.15 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.036 169.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.9 m -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.81 0.814 . . . . 0.0 111.67 -170.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.427 ' CD1' ' HA2' ' A' ' 13' ' ' GLY . 13.6 m-30 -51.68 158.48 1.56 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 121.867 0.841 . . . . 0.0 111.279 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -57.47 107.18 0.28 Allowed 'Trans proline' 0 N--CA 1.532 3.744 1 C-N-CA 126.479 4.786 . . . . 0.0 114.741 175.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.13 -17.87 5.08 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.805 -1.184 . . . . 0.0 112.305 -173.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 8.5 m-85 -129.07 169.89 14.17 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.364 -1.08 . . . . 0.0 110.996 -173.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 26.6 p90 -164.04 177.93 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.269 1.033 . . . . 0.0 112.033 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.84 152.54 25.68 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -170.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -44.8 -36.02 10.26 Favored 'Trans proline' 0 N--CA 1.528 3.525 1 C-N-CA 126.436 4.757 . . . . 0.0 115.117 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.61 20.55 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.892 -0.505 . . . . 0.0 111.306 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 47.53 42.02 14.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.231 1.015 . . . . 0.0 110.618 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -84.36 -11.35 56.46 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.529 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 51.9 m-85 -111.49 155.92 22.49 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.325 -0.86 . . . . 0.0 110.689 175.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -126.81 143.19 41.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.027 0.917 . . . . 0.0 111.02 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 121.794 0.807 . . . . 0.0 110.935 171.191 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 122.786 1.279 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -76.09 137.31 40.07 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.791 -171.212 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.98 125.05 34.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.182 -170.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t70 30.24 -85.77 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.019 1.728 . . . . 0.0 113.926 -171.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.454 ' HG2' ' HE3' ' A' ' 11' ' ' LYS . 2.1 mtt -80.1 24.49 0.42 Allowed 'General case' 0 C--O 1.253 1.272 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -168.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 p 55.07 -163.78 0.13 Allowed 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.655 -1.278 . . . . 0.0 112.613 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.59 80.47 4.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.49 0.662 . . . . 0.0 111.295 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m 46.49 34.46 2.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.434 0.635 . . . . 0.0 111.027 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HE3' ' HG2' ' A' ' 7' ' ' MET . 2.8 mtmp? 58.37 36.98 25.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.739 0.781 . . . . 0.0 110.983 171.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -137.97 22.35 2.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.165 0.507 . . . . 0.0 111.739 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.64 155.96 13.84 Favored Glycine 0 C--N 1.32 -0.313 0 CA-C-O 122.326 0.959 . . . . 0.0 111.759 -171.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.11 121.2 42.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.782 0.801 . . . . 0.0 111.861 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.764 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 20.1 m -73.53 136.75 44.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 123.025 1.393 . . . . 0.0 111.57 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.461 ' C ' ' HB3' ' A' ' 22' ' ' TYR . 15.1 mt -134.66 111.02 9.66 Favored 'General case' 0 C--O 1.258 1.516 0 C-N-CA 123.888 0.875 . . . . 0.0 112.556 -166.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.722 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -102.3 145.39 29.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 127.056 3.313 . . . . 0.0 115.827 -166.554 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -120.36 -160.96 0.86 Allowed 'General case' 0 C--O 1.246 0.911 0 C-N-CA 127.256 2.222 . . . . 0.0 110.693 -163.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -11.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -171.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.38 40.43 0.09 OUTLIER Glycine 0 C--O 1.243 0.663 0 CA-C-N 116.52 -0.309 . . . . 0.0 112.628 170.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.17 143.31 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 O-C-N 121.512 -0.993 . . . . 0.0 111.262 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.764 ' CD2' ' HB3' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -106.37 165.04 11.55 Favored 'General case' 0 C--N 1.356 0.856 1 CA-C-O 129.494 4.473 . . . . 0.0 115.073 170.368 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -121.83 -165.05 1.21 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 111.551 -2.568 . . . . 0.0 111.062 -167.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.4 m -123.85 129.87 51.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.79 1.281 . . . . 0.0 113.509 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -109.26 84.98 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.089 0.947 . . . . 0.0 110.399 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.29 128.5 37.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.437 1.113 . . . . 0.0 111.384 -170.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 8.5 m-85 -43.63 160.28 0.22 Allowed Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 122.228 1.013 . . . . 0.0 111.697 170.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 30.9 Cg_endo -76.64 26.08 0.44 Allowed 'Trans proline' 0 N--CA 1.533 3.832 1 C-N-CA 126.684 4.923 . . . . 0.0 116.905 -177.447 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . -137.91 16.22 3.5 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 121.37 -0.831 . . . . 0.0 111.485 168.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -139.53 170.14 16.46 Favored 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.55 -0.971 . . . . 0.0 111.096 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -164.43 171.39 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.936 1.35 . . . . 0.0 112.512 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.3 148.44 23.12 Favored Glycine 0 N--CA 1.462 0.38 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -43.68 -26.13 1.11 Allowed 'Trans proline' 0 N--CA 1.53 3.635 1 C-N-CA 126.148 4.565 . . . . 0.0 115.605 -177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.53 20.37 8.69 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.548 -0.72 . . . . 0.0 111.029 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 44.45 53.01 7.22 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.951 0.882 . . . . 0.0 110.677 -169.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 10.4 pt-20 -101.36 4.62 41.68 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 8.7 m-85 -116.16 136.21 53.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.215 -0.928 . . . . 0.0 110.74 171.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 137.06 41.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.415 0.626 . . . . 0.0 110.692 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.515 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 64.0 mtp180 . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 121.528 0.68 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.517 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . 4.0 p . . . . . 0 C--O 1.242 0.683 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 134.98 47.19 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.199 -0.938 . . . . 0.0 112.053 -166.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -136.75 -109.78 0.19 Allowed 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.714 169.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -109.08 -47.55 3.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 122.118 0.961 . . . . 0.0 109.836 -170.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.49 37.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.137 170.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -35.01 110.79 0.1 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.723 0.773 . . . . 0.0 112.883 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.5 m 64.78 41.81 4.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.384 0.611 . . . . 0.0 111.45 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 m 53.04 35.88 20.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 111.53 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.06 39.33 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.022 0.915 . . . . 0.0 111.345 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.42 ' C ' ' CD2' ' A' ' 27' ' ' TYR . 1.1 mt-30 -136.33 23.14 3.22 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.67 -0.644 . . . . 0.0 111.765 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.483 ' N ' ' CE2' ' A' ' 27' ' ' TYR . . . 169.65 159.61 15.87 Favored Glycine 0 N--CA 1.461 0.356 0 CA-C-O 121.995 0.775 . . . . 0.0 111.382 -171.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -102.8 141.0 36.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.715 0.769 . . . . 0.0 111.196 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.49 142.02 57.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.733 1.254 . . . . 0.0 110.729 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.8 mt -120.73 67.36 0.85 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.527 1.156 . . . . 0.0 109.757 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 3' ' ' SER . 1.8 tm-20 -53.34 126.06 19.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.19 0.995 . . . . 0.0 111.751 -169.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 p -105.93 -164.0 0.98 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.644 -0.66 . . . . 0.0 110.793 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -36.94 -90.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 124.729 1.212 . . . . 0.0 113.229 -175.383 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -111.98 50.35 0.78 Allowed Glycine 0 C--N 1.316 -0.577 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 171.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.96 -166.64 0.43 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.932 0.872 . . . . 0.0 111.158 170.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.517 ' CD1' ' HA ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -148.35 174.4 12.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.454 1.121 . . . . 0.0 112.31 170.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 p -137.9 158.43 44.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.015 170.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.3 134.09 42.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.169 0.985 . . . . 0.0 111.794 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.2 p -104.8 81.64 1.78 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.997 0.903 . . . . 0.0 110.59 169.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.9 127.5 31.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.94 0.876 . . . . 0.0 111.807 -170.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CE2' ' N ' ' A' ' 13' ' ' GLY . 34.0 m-85 -52.69 155.31 4.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 122.036 0.922 . . . . 0.0 111.966 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -52.41 104.66 0.1 OUTLIER 'Trans proline' 0 N--CA 1.529 3.611 1 C-N-CA 126.748 4.966 . . . . 0.0 115.15 174.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.584 ' HA2' ' HD3' ' A' ' 39' ' ' ARG . . . 136.09 -21.24 3.52 Favored Glycine 0 C--O 1.24 0.494 0 O-C-N 120.837 -1.165 . . . . 0.0 111.603 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HD1' HG22 ' A' ' 38' ' ' VAL . 7.2 m-85 -132.36 166.65 21.47 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.432 -1.04 . . . . 0.0 111.378 -169.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 11.4 p90 -162.04 176.12 11.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.078 0.942 . . . . 0.0 111.649 176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.02 155.12 26.98 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -171.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.27 -12.61 10.71 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.085 4.523 . . . . 0.0 115.816 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -126.76 19.07 7.27 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.278 -0.889 . . . . 0.0 111.311 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m 41.75 45.63 3.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.931 0.872 . . . . 0.0 111.102 -169.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 9.9 pt-20 -95.96 -5.45 41.27 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -173.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.4 m-85 -106.14 155.49 19.39 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.278 -0.889 . . . . 0.0 110.761 171.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 ' HD1' ' A' ' 30' ' ' PHE . 39.9 t -125.49 141.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.192 0.996 . . . . 0.0 111.411 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HD3' ' HA2' ' A' ' 29' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.301 171.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 94.6 p . . . . . 0 C--O 1.244 0.815 0 CA-C-O 120.724 0.297 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.78 135.45 16.26 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.847 -1.158 . . . . 0.0 111.992 -167.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -110.58 -155.22 0.56 Allowed 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.034 170.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -58.94 5.32 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.443 1.116 . . . . 0.0 111.588 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.0 35.42 0.98 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 112.267 -171.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 134.9 57.25 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.17 -0.956 . . . . 0.0 111.192 170.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.21 37.63 4.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.2 0.524 . . . . 0.0 111.282 -171.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.92 -164.85 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.334 0.588 . . . . 0.0 110.711 -172.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -96.14 47.45 1.09 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.56 1.172 . . . . 0.0 110.727 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -116.47 -34.42 4.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.628 0.728 . . . . 0.0 111.725 171.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.4 156.44 25.18 Favored Glycine 0 N--CA 1.463 0.473 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.92 159.23 16.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.769 1.271 . . . . 0.0 112.347 -170.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' C ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -83.79 139.63 32.57 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.014 0.911 . . . . 0.0 111.52 -170.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.619 HD12 ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -127.78 78.96 1.86 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 170.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 7.1 tm-20 -66.54 145.07 56.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.306 1.05 . . . . 0.0 110.7 175.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.4 p -146.81 -170.64 3.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.868 -170.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 20' ' ' GLY . 8.7 mt -27.63 -93.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 125.571 1.548 . . . . 0.0 113.691 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.537 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -114.62 47.64 1.02 Allowed Glycine 0 C--N 1.317 -0.511 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.599 175.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.07 176.23 0.14 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.586 0.708 . . . . 0.0 110.985 171.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 1.8 p90 -127.85 177.29 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.182 0.992 . . . . 0.0 112.261 171.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.619 ' OG1' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -137.92 -167.33 2.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.748 0.785 . . . . 0.0 111.366 -175.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.8 m -134.4 145.93 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.918 0.866 . . . . 0.0 111.068 169.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.559 ' N ' HD21 ' A' ' 16' ' ' LEU . 11.8 p -112.04 78.89 1.16 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 110.518 169.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.7 121.44 7.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.552 0.691 . . . . 0.0 110.762 -175.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.508 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 9.4 m-30 -53.37 168.67 0.36 Allowed Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 122.23 1.014 . . . . 0.0 111.147 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.508 ' CD ' ' HB3' ' A' ' 27' ' ' TYR . 4.2 Cg_exo -78.52 29.11 0.46 Allowed 'Trans proline' 0 N--CA 1.529 3.577 1 C-N-CA 127.956 5.77 . . . . 0.0 116.074 -174.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.442 ' HA2' ' HD2' ' A' ' 39' ' ' ARG . . . -134.86 5.64 4.38 Favored Glycine 0 C--O 1.24 0.523 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 170.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -139.02 -172.12 3.25 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.418 -1.048 . . . . 0.0 111.27 -169.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 178.69 176.9 0.49 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.94 0.876 . . . . 0.0 111.28 170.319 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.62 155.89 26.48 Favored Glycine 0 C--N 1.32 -0.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -170.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -44.1 -37.95 10.18 Favored 'Trans proline' 0 N--CA 1.528 3.517 1 C-N-CA 126.237 4.625 . . . . 0.0 114.908 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -114.28 20.98 15.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.732 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.87 40.35 8.92 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.347 -0.845 . . . . 0.0 110.771 -170.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.458 ' HG3' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -82.51 -9.5 59.39 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.871 -0.518 . . . . 0.0 112.28 -174.364 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CD2' ' HG3' ' A' ' 36' ' ' GLU . 87.9 m-85 -119.81 136.08 54.61 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.41 -0.806 . . . . 0.0 110.464 -175.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.6 146.87 12.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.555 0.693 . . . . 0.0 110.736 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HD2' ' HA2' ' A' ' 29' ' ' GLY . 56.6 mtt180 . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.766 0.793 . . . . 0.0 111.264 -170.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 24.6 p . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 123.335 1.54 . . . . 0.0 110.666 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t 40.7 80.92 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.996 1.318 . . . . 0.0 113.69 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.19 -164.09 0.98 Allowed 'General case' 0 C--N 1.318 -0.796 0 O-C-N 121.679 -0.638 . . . . 0.0 110.241 168.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.55 -62.42 0.88 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.46 1.124 . . . . 0.0 112.62 -170.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -118.54 60.74 0.79 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.59 1.662 . . . . 0.0 110.078 -178.682 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -37.98 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.163 -0.96 . . . . 0.0 112.859 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.12 68.63 0.67 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.701 0.762 . . . . 0.0 110.573 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p 56.85 -157.09 0.28 Allowed 'General case' 0 C--O 1.241 0.651 0 O-C-N 121.864 -0.522 . . . . 0.0 109.841 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -116.44 50.98 1.0 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.582 1.182 . . . . 0.0 110.412 170.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 5.0 mt-30 -133.4 13.38 4.16 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.205 176.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.66 161.98 34.3 Favored Glycine 0 C--N 1.319 -0.366 0 O-C-N 121.4 -0.812 . . . . 0.0 111.64 -170.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.12 -179.32 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.068 0.937 . . . . 0.0 111.375 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 120.87 42.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.488 0.661 . . . . 0.0 110.484 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.56 68.91 1.86 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.535 1.159 . . . . 0.0 110.423 170.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 0.3 OUTLIER -65.5 121.46 14.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.088 0.947 . . . . 0.0 111.746 -169.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 p -98.36 -169.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.049 0.928 . . . . 0.0 111.32 -174.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -73.76 2.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -170.223 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.99 30.02 0.12 Allowed Glycine 0 C--N 1.319 -0.362 0 O-C-N 121.162 -0.961 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.479 ' ND2' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 178.95 -168.88 0.09 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.818 -0.813 . . . . 0.0 110.636 -170.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -148.86 168.55 22.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.491 1.138 . . . . 0.0 112.432 168.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.9 p -135.58 -173.17 3.28 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.721 169.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -134.53 128.18 32.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.274 1.035 . . . . 0.0 112.247 -170.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -100.71 90.34 4.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.604 0.716 . . . . 0.0 110.179 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -56.53 127.86 33.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.141 0.972 . . . . 0.0 111.303 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -47.32 163.31 0.26 Allowed Pre-proline 0 C--N 1.321 -0.644 0 CA-C-O 121.958 0.885 . . . . 0.0 111.315 171.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -67.82 109.84 1.99 Allowed 'Trans proline' 0 N--CA 1.531 3.718 1 C-N-CA 126.49 4.793 . . . . 0.0 114.51 -174.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 110.12 -8.57 31.22 Favored Glycine 0 C--O 1.24 0.493 0 O-C-N 120.804 -1.185 . . . . 0.0 111.509 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' ' HG2' ' A' ' 12' ' ' GLN . 16.7 m-85 -110.83 151.19 28.12 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.463 -1.022 . . . . 0.0 110.687 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.76 -174.42 4.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.117 0.96 . . . . 0.0 111.64 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.31 151.35 27.36 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -39.25 -29.38 0.21 Allowed 'Trans proline' 0 N--CA 1.528 3.545 1 C-N-CA 126.321 4.681 . . . . 0.0 115.215 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -133.33 23.24 4.08 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.621 -0.674 . . . . 0.0 111.474 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.35 57.76 5.52 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.215 -0.928 . . . . 0.0 110.542 -170.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -103.04 -3.76 25.52 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 7.6 m-85 -125.26 155.76 39.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.928 0.871 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -111.04 131.51 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.677 0.751 . . . . 0.0 110.636 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.517 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 16.5 mtp180 . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 121.978 0.894 . . . . 0.0 113.157 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 17.6 p . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.901 0.858 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 t -109.16 132.52 54.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.211 1.005 . . . . 0.0 110.331 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -133.48 -174.87 3.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.951 0.881 . . . . 0.0 110.751 -169.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.25 -53.63 33.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.253 1.025 . . . . 0.0 110.709 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -126.97 74.91 1.53 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 124.543 2.116 . . . . 0.0 110.173 174.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -47.62 -73.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 120.644 -1.285 . . . . 0.0 111.159 170.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.9 m -112.86 51.1 0.84 Allowed 'General case' 0 C--O 1.241 0.64 0 O-C-N 121.363 -0.836 . . . . 0.0 111.632 -171.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.72 27.29 16.04 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.186 -0.947 . . . . 0.0 111.849 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? 48.65 40.5 15.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.923 0.868 . . . . 0.0 111.118 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.33 24.74 4.49 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.759 0.79 . . . . 0.0 111.125 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 27' ' ' TYR . . . 167.52 160.66 15.35 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -167.27 1.48 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.996 -0.708 . . . . 0.0 110.804 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 118.34 30.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.419 0.628 . . . . 0.0 110.361 -175.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -95.6 66.48 2.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.748 1.261 . . . . 0.0 110.467 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 1.8 tt0 -59.31 123.96 18.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.977 -170.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -97.4 -170.08 1.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.66 0.743 . . . . 0.0 110.955 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -77.76 4.2 1.36 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -170.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.52 27.68 0.2 Allowed Glycine 0 N--CA 1.462 0.397 0 O-C-N 121.282 -0.886 . . . . 0.0 111.634 171.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.47 ' ND2' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 177.14 -167.12 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.902 -0.763 . . . . 0.0 110.507 -171.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.47 ' N ' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -148.09 174.5 11.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.746 1.26 . . . . 0.0 112.191 167.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 -164.37 1.58 Allowed 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.356 168.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.6 132.91 53.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.164 0.983 . . . . 0.0 111.766 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.4 p -105.07 87.33 2.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.617 0.722 . . . . 0.0 110.253 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -51.93 129.84 27.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.1 0.952 . . . . 0.0 111.583 -170.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CD1' ' HA2' ' A' ' 13' ' ' GLY . 16.5 m-30 -54.91 160.97 2.57 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.822 0.82 . . . . 0.0 110.658 172.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -62.25 100.02 0.21 Allowed 'Trans proline' 0 N--CA 1.531 3.686 1 C-N-CA 126.045 4.497 . . . . 0.0 114.375 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.65 -2.34 5.67 Favored Glycine 0 C--O 1.242 0.635 0 O-C-N 120.977 -1.077 . . . . 0.0 112.803 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 34.9 m-85 -138.8 149.37 44.88 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.392 1.096 . . . . 0.0 111.521 -169.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -153.86 177.97 10.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.895 0.855 . . . . 0.0 111.404 -179.509 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.7 155.66 31.7 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -170.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.36 -28.53 8.45 Favored 'Trans proline' 0 N--CA 1.526 3.422 1 C-N-CA 126.223 4.615 . . . . 0.0 114.759 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -118.1 18.52 13.83 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 112.275 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 45.61 37.4 3.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.791 0.805 . . . . 0.0 111.033 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 8.5 pt-20 -97.65 19.95 12.69 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.896 -171.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 11.0 m-85 -137.48 153.37 50.07 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.199 -0.938 . . . . 0.0 111.196 171.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.4 t -87.52 144.08 9.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.856 0.836 . . . . 0.0 110.391 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.848 0 CA-C-O 121.929 0.871 . . . . 0.0 112.661 -170.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.481 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 1.2 t . . . . . 0 C--O 1.242 0.664 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 11.9 t -173.15 119.98 0.34 Allowed 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.491 -0.756 . . . . 0.0 110.796 174.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -134.97 -108.2 0.22 Allowed 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.696 -0.628 . . . . 0.0 112.375 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -104.76 -55.1 2.39 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.364 1.078 . . . . 0.0 110.789 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.21 34.93 0.92 Allowed 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.637 -0.665 . . . . 0.0 112.205 170.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.43 100.39 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.48 -0.762 . . . . 0.0 111.177 170.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HG3' ' A' ' 34' ' ' GLU . 3.7 m 57.95 61.9 2.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.857 0.836 . . . . 0.0 111.664 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 28.1 t 59.0 -90.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.697 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.32 36.25 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.508 1.146 . . . . 0.0 110.887 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.503 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 1.3 mt-30 -132.39 10.92 4.49 Favored 'General case' 0 C--O 1.242 0.692 0 O-C-N 121.652 -0.655 . . . . 0.0 112.685 -170.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.05 166.04 35.52 Favored Glycine 0 N--CA 1.462 0.373 0 CA-C-O 122.01 0.783 . . . . 0.0 111.981 -170.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.36 -174.37 2.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 110.872 -172.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 4' ' ' CYS . 3.1 m -121.78 116.32 24.26 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.627 0.727 . . . . 0.0 111.531 -171.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 25' ' ' SER . 0.2 OUTLIER -110.46 79.32 1.19 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.945 0.878 . . . . 0.0 110.829 171.132 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' CA ' ' A' ' 3' ' ' SER . 1.1 mp0 -71.68 137.8 48.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.77 1.272 . . . . 0.0 111.743 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.3 p -112.0 -169.72 1.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.655 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 20' ' ' GLY . 3.4 mp -16.32 -96.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.059 1.744 . . . . 0.0 113.633 170.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -120.43 52.62 0.72 Allowed Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 170.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.15 -160.98 0.34 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.028 -0.69 . . . . 0.0 110.863 173.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.481 ' HB3' ' CA ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -149.19 169.48 20.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 123.454 1.597 . . . . 0.0 113.708 169.368 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -120.53 -166.02 1.27 Allowed 'General case' 0 C--O 1.244 0.776 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.093 168.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 m -135.46 151.82 50.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.682 1.23 . . . . 0.0 112.329 170.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HD11 ' A' ' 16' ' ' LEU . 61.3 p -112.09 82.61 1.66 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.806 168.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.4 m -51.82 134.41 31.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.942 0.877 . . . . 0.0 111.487 -170.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 12.0 m-30 -56.05 158.06 7.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.869 0.842 . . . . 0.0 110.932 173.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 87.5 Cg_endo -72.01 96.06 0.77 Allowed 'Trans proline' 0 N--CA 1.53 3.63 1 C-N-CA 126.2 4.6 . . . . 0.0 114.743 -178.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.4 -23.59 2.2 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 120.989 -1.069 . . . . 0.0 111.365 -169.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 7.5 m-85 -123.79 159.69 28.97 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.611 -0.935 . . . . 0.0 110.641 -171.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -155.98 179.75 8.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.91 0.862 . . . . 0.0 111.331 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.11 156.26 28.04 Favored Glycine 0 C--N 1.319 -0.369 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.98 -32.52 4.65 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.222 4.614 . . . . 0.0 114.975 175.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' ' HA ' ' A' ' 9' ' ' CYS . 29.8 tt0 -117.31 19.07 14.26 Favored 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.882 -0.511 . . . . 0.0 112.074 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m 45.37 35.66 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.314 -0.866 . . . . 0.0 111.146 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -17.17 39.96 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -170.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.89 167.43 10.09 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.42 -0.8 . . . . 0.0 110.763 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 30' ' ' PHE . 48.4 t -124.6 149.69 29.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.89 0.853 . . . . 0.0 111.024 -172.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 121.425 0.631 . . . . 0.0 111.034 177.07 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.4 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 21.0 p . . . . . 0 CA--C 1.511 -0.547 0 CA-C-O 121.381 0.61 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 13.9 t -96.88 54.53 1.29 Allowed 'General case' 0 C--O 1.243 0.762 0 CA-C-O 122.373 1.082 . . . . 0.0 113.025 -168.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 7' ' ' MET . 7.2 tt0 -138.95 177.33 7.97 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.922 -1.111 . . . . 0.0 110.942 170.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 36.17 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 125.72 1.608 . . . . 0.0 113.387 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 5' ' ' GLN . 2.1 ttm -93.69 46.53 1.19 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.41 90.62 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.837 0.827 . . . . 0.0 112.25 169.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 m 41.6 45.91 3.0 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 123.433 0.693 . . . . 0.0 112.35 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m 64.04 32.19 13.05 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.515 -0.74 . . . . 0.0 111.011 171.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.46 47.23 14.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.69 0.757 . . . . 0.0 111.595 -176.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 5.2 tt0 -137.73 20.26 2.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.296 0.569 . . . . 0.0 112.021 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.45 -178.07 46.39 Favored Glycine 0 C--N 1.32 -0.335 0 O-C-N 121.433 -0.792 . . . . 0.0 111.353 -171.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.13 172.19 7.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -126.51 107.6 10.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.799 0.809 . . . . 0.0 110.823 -170.116 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.0 mt -102.3 91.23 4.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.51 0.671 . . . . 0.0 111.221 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.4 160.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.456 1.122 . . . . 0.0 111.035 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.607 HG21 HG23 ' A' ' 23' ' ' THR . 21.2 p -159.08 -171.83 3.53 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.68 0.752 . . . . 0.0 110.704 -169.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.84 116.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.891 0.853 . . . . 0.0 111.322 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.91 22.39 57.43 Favored Glycine 0 C--O 1.24 0.516 0 O-C-N 121.894 -0.504 . . . . 0.0 112.112 171.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.94 -177.42 0.1 Allowed 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.623 -0.928 . . . . 0.0 111.057 -171.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.4 ' CE2' ' O ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -125.19 -174.92 3.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.822 0.82 . . . . 0.0 110.709 166.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.607 HG23 HG21 ' A' ' 18' ' ' THR . 80.6 p -136.28 -175.25 3.93 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.956 -0.465 . . . . 0.0 110.717 170.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.2 m -131.89 129.43 40.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.35 1.072 . . . . 0.0 112.387 -171.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -104.98 81.98 1.8 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.931 0.872 . . . . 0.0 109.607 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.0 m -50.52 146.6 5.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 112.333 -169.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -62.58 166.17 7.86 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.944 0.878 . . . . 0.0 110.876 170.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -65.13 103.27 0.49 Allowed 'Trans proline' 0 N--CA 1.53 3.654 1 C-N-CA 126.736 4.958 . . . . 0.0 114.469 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.12 -18.64 5.0 Favored Glycine 0 C--O 1.241 0.561 0 O-C-N 120.854 -1.154 . . . . 0.0 112.324 -171.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 5.2 m-85 -128.68 164.32 23.19 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.288 -1.125 . . . . 0.0 110.803 -174.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.87 160.98 14.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.115 0.96 . . . . 0.0 111.494 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.62 154.62 13.96 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -171.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -44.93 -32.05 5.99 Favored 'Trans proline' 0 N--CA 1.529 3.617 1 C-N-CA 126.282 4.655 . . . . 0.0 115.012 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -117.76 18.55 14.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.309 0.576 . . . . 0.0 112.045 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.3 m 46.74 39.51 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.915 0.865 . . . . 0.0 111.454 -171.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -9.66 48.21 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -102.95 134.83 45.73 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.295 -0.878 . . . . 0.0 110.775 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.94 138.55 32.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.992 0.901 . . . . 0.0 110.991 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 . . . . . 0 C--N 1.321 -0.65 0 CA-C-O 121.732 0.777 . . . . 0.0 110.988 -172.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 66.5 m . . . . . 0 CA--C 1.515 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 111.7 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m 28.25 80.53 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.985 1.314 . . . . 0.0 113.023 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -100.4 -165.59 1.23 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.002 0.906 . . . . 0.0 110.876 176.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -54.33 22.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.293 1.044 . . . . 0.0 110.375 -176.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt -111.86 61.75 0.62 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.164 170.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -31.45 -87.98 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 124.718 1.207 . . . . 0.0 113.354 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 67.4 1.28 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.656 0.741 . . . . 0.0 110.544 -174.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 t 61.01 -85.01 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.193 0.521 . . . . 0.0 110.588 -170.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 40.84 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.608 1.194 . . . . 0.0 110.687 169.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -120.23 -18.6 7.96 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.592 -173.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.16 170.5 36.25 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-O 122.195 0.886 . . . . 0.0 111.677 -176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -110.38 165.3 11.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.515 1.15 . . . . 0.0 111.736 -170.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.85 143.84 31.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 123.003 1.383 . . . . 0.0 112.241 -170.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 25' ' ' SER . 3.9 mt -130.42 71.34 1.46 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.463 1.125 . . . . 0.0 109.866 169.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' HB3' ' A' ' 3' ' ' SER . 0.0 OUTLIER -52.68 137.47 31.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.137 1.446 . . . . 0.0 113.176 -167.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -115.67 -170.58 1.81 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.091 0.948 . . . . 0.0 111.502 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mm -69.9 -5.03 4.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.48 24.21 0.24 Allowed Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.71 -0.619 . . . . 0.0 111.624 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.11 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.798 -0.825 . . . . 0.0 110.169 -170.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.453 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -138.69 164.27 29.97 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.682 1.229 . . . . 0.0 111.678 167.436 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -117.43 177.95 4.56 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.22 168.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -130.71 131.17 44.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.081 0.943 . . . . 0.0 111.612 -171.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.585 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.0 p -96.77 84.36 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.193 0.997 . . . . 0.0 109.946 169.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.4 m -62.37 124.98 22.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.062 0.934 . . . . 0.0 110.988 -170.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -48.32 161.57 0.38 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 122.017 0.913 . . . . 0.0 110.905 171.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.2 110.6 0.81 Allowed 'Trans proline' 0 N--CA 1.529 3.616 1 C-N-CA 126.266 4.644 . . . . 0.0 114.469 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 128.27 -4.64 6.77 Favored Glycine 0 C--O 1.241 0.593 0 O-C-N 120.925 -1.109 . . . . 0.0 112.379 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -132.91 169.08 17.29 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.219 -1.165 . . . . 0.0 111.051 -172.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.434 ' CE1' ' HB3' ' A' ' 37' ' ' TYR . 6.7 p90 -166.75 177.55 6.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.066 0.936 . . . . 0.0 111.337 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.99 151.12 27.56 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -170.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -44.08 -44.37 12.4 Favored 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.276 4.651 . . . . 0.0 114.912 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -99.95 20.31 14.59 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.809 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 44.11 31.61 0.56 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.256 -0.903 . . . . 0.0 110.418 -168.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.26 17.33 6.15 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.046 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 20.1 m-85 -131.4 116.58 17.72 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.292 -0.88 . . . . 0.0 110.805 170.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -94.6 153.57 3.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.523 0.678 . . . . 0.0 110.713 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.515 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 3.6 mtp-105 . . . . . 0 C--O 1.245 0.82 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.993 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 p . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 122.375 1.083 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t -79.48 146.29 32.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.193 1.473 . . . . 0.0 114.128 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.95 -178.86 5.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.285 1.04 . . . . 0.0 109.961 167.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 -170.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.478 ' HB3' ' CG ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -124.95 53.43 1.49 Allowed 'General case' 0 C--O 1.243 0.751 0 CA-C-O 121.389 0.614 . . . . 0.0 112.358 -175.466 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -63.73 143.39 57.88 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.188 0.994 . . . . 0.0 111.103 169.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' SER . 27.6 m 89.93 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 125.416 1.487 . . . . 0.0 112.515 169.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 1.1 m 144.29 11.25 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 125.196 1.398 . . . . 0.0 114.593 -167.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 28.5 mttt 73.26 12.67 4.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.361 1.437 . . . . 0.0 111.636 175.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -135.34 32.9 3.08 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.366 -0.834 . . . . 0.0 110.668 168.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.27 147.63 10.47 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-O 122.23 0.906 . . . . 0.0 111.283 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -166.63 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.412 1.101 . . . . 0.0 111.55 -170.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 123.46 49.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.459 0.704 . . . . 0.0 111.076 -170.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 25' ' ' SER . 0.6 OUTLIER -99.82 107.21 19.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.947 0.88 . . . . 0.0 111.835 170.384 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 108.91 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.4 1.095 . . . . 0.0 111.478 -167.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.9 p -95.06 -174.19 3.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.761 0.791 . . . . 0.0 111.225 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 mm -73.07 107.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.777 0.799 . . . . 0.0 111.092 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.23 68.79 Favored Glycine 0 C--N 1.32 -0.336 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.53 175.06 0.25 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.978 -0.719 . . . . 0.0 110.996 171.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -141.61 -177.79 5.34 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.125 0.964 . . . . 0.0 112.928 170.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -134.9 -163.77 1.42 Allowed 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.666 -0.646 . . . . 0.0 111.007 171.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.11 132.44 56.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.486 1.136 . . . . 0.0 111.847 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.516 ' HB3' HD23 ' A' ' 16' ' ' LEU . 87.4 p -110.13 84.94 2.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.873 0.844 . . . . 0.0 110.476 170.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -53.45 144.25 17.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.796 0.808 . . . . 0.0 111.397 -170.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -71.8 164.38 58.82 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 122.153 0.977 . . . . 0.0 111.136 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -61.14 97.01 0.12 Allowed 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.549 4.832 . . . . 0.0 114.363 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.85 -7.94 5.19 Favored Glycine 0 N--CA 1.463 0.488 0 O-C-N 120.998 -1.064 . . . . 0.0 112.982 -171.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 2.6 m-85 -138.15 140.41 39.85 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.503 -0.998 . . . . 0.0 111.312 -167.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -150.17 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.794 1.283 . . . . 0.0 112.486 -178.711 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 148.25 18.35 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -42.47 -31.78 2.01 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.228 4.619 . . . . 0.0 115.01 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.57 20.94 12.28 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.637 -0.664 . . . . 0.0 111.496 -177.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.24 45.78 13.11 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.071 0.939 . . . . 0.0 110.258 -169.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 2.9 pt-20 -97.01 5.61 50.12 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.325 -172.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.488 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 12.2 m-85 -131.94 156.14 46.7 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.196 -0.94 . . . . 0.0 111.43 170.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.01 140.42 17.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.49 0.662 . . . . 0.0 109.705 169.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 31' ' ' TYR . 1.7 ptt85 . . . . . 0 C--N 1.315 -0.919 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -168.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.609 ' HB3' ' CD1' ' A' ' 22' ' ' TYR . 38.3 t . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 121.301 0.572 . . . . 0.0 111.739 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.99 134.77 13.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.737 1.256 . . . . 0.0 111.382 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -133.58 156.95 46.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.58 170.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -17.58 0.73 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 112.413 -171.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.86 -67.71 0.65 Allowed 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.32 0.581 . . . . 0.0 111.971 168.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 85.67 -157.03 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.816 0 O-C-N 119.996 -1.69 . . . . 0.0 110.05 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.78 78.83 7.52 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 121.509 -0.744 . . . . 0.0 112.491 -169.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m 52.71 30.11 8.37 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.55 -0.719 . . . . 0.0 112.057 -171.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt 49.23 34.84 6.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.615 1.198 . . . . 0.0 110.854 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.424 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 2.0 tt0 -133.98 25.71 3.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.727 0.775 . . . . 0.0 110.825 -171.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.43 157.86 14.23 Favored Glycine 0 C--N 1.32 -0.354 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -98.08 138.59 35.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.033 -171.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 134.91 53.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.963 0.887 . . . . 0.0 110.752 171.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 16' ' ' LEU . 5.4 mt -113.92 83.81 1.93 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.383 1.087 . . . . 0.0 110.36 170.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -74.63 104.95 5.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.545 1.164 . . . . 0.0 111.169 -170.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 p -98.58 -169.88 1.86 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.41 1.1 . . . . 0.0 111.713 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.43 115.85 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.948 0.88 . . . . 0.0 111.069 171.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 28.23 60.57 Favored Glycine 0 N--CA 1.462 0.399 0 O-C-N 121.872 -0.518 . . . . 0.0 112.783 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 170.98 172.74 0.07 Allowed 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.985 -0.715 . . . . 0.0 110.775 170.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CD1' ' HB3' ' A' ' 3' ' ' SER . 0.0 OUTLIER -127.2 -171.85 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.873 1.32 . . . . 0.0 112.613 170.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.3 p -135.44 -168.62 2.23 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.405 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.7 m -127.92 124.05 36.42 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.389 -0.819 . . . . 0.0 110.585 170.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -96.62 74.59 2.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.838 0.828 . . . . 0.0 110.662 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -54.0 137.77 38.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.675 0.75 . . . . 0.0 111.231 -170.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 23.9 m-85 -46.11 158.9 0.35 Allowed Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.367 0.603 . . . . 0.0 110.051 170.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 10.2 Cg_endo -86.02 48.7 2.11 Favored 'Trans proline' 0 N--CA 1.533 3.813 1 C-N-CA 126.153 4.569 . . . . 0.0 117.097 -172.591 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.37 22.15 0.22 Allowed Glycine 0 N--CA 1.465 0.57 0 O-C-N 121.123 -0.986 . . . . 0.0 111.598 166.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CE1' HG13 ' A' ' 38' ' ' VAL . 13.9 m-85 -138.54 168.95 18.67 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.67 -0.9 . . . . 0.0 111.271 -171.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 39' ' ' ARG . 1.7 p90 -163.14 169.68 18.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.412 1.101 . . . . 0.0 112.552 -173.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.99 152.48 26.71 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -170.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -40.66 -26.69 0.25 Allowed 'Trans proline' 0 N--CA 1.53 3.645 1 C-N-CA 126.509 4.806 . . . . 0.0 115.629 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -125.19 21.63 8.0 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.487 -0.758 . . . . 0.0 111.851 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 46.23 13.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.001 0.905 . . . . 0.0 110.434 -170.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CD ' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -96.07 -18.51 20.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 -172.721 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' CD ' ' A' ' 36' ' ' GLU . 97.9 m-85 -102.12 118.81 37.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.775 0.798 . . . . 0.0 110.478 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.677 HG13 ' CE1' ' A' ' 30' ' ' PHE . 2.8 t -86.67 148.83 4.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.504 171.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 170.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.438 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 16.7 p . . . . . 0 CA--C 1.512 -0.511 0 CA-C-O 122.147 0.975 . . . . 0.0 112.935 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 85.49 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 124.941 1.296 . . . . 0.0 112.413 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.67 -159.34 0.73 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.331 170.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.76 -56.09 24.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.259 1.028 . . . . 0.0 110.823 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 ptp -83.8 12.38 6.11 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -172.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 16.82 -92.48 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.381 1.472 . . . . 0.0 113.651 -168.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.21 63.43 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.972 0.891 . . . . 0.0 110.935 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m 59.64 29.72 19.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.571 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 57.17 33.86 23.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.701 0.763 . . . . 0.0 110.95 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.462 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 1.3 tt0 -134.53 -0.17 2.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -172.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.02 169.26 42.37 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -171.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.91 179.34 4.83 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.546 -0.973 . . . . 0.0 111.156 -170.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.4 t -110.52 114.47 27.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.657 0.741 . . . . 0.0 111.557 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 25' ' ' SER . 6.6 mt -98.65 75.26 2.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.889 0.852 . . . . 0.0 110.726 170.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 8.8 tm-20 -69.25 148.98 49.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.108 0.956 . . . . 0.0 111.233 -170.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -144.13 179.8 6.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.234 -170.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 20' ' ' GLY . 49.1 mm -9.36 -101.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 114.077 170.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -114.2 34.01 5.15 Favored Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.676 -0.64 . . . . 0.0 111.924 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -169.46 2.25 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.777 -0.837 . . . . 0.0 111.017 170.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.438 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 2.2 p90 -136.35 170.54 15.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.073 0.939 . . . . 0.0 110.998 168.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -137.13 -176.11 4.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.759 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.6 m -125.29 141.95 51.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.226 1.012 . . . . 0.0 111.937 -173.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB3' HD11 ' A' ' 16' ' ' LEU . 59.8 p -104.9 82.57 1.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.033 0.92 . . . . 0.0 109.702 168.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.13 127.9 34.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.08 0.943 . . . . 0.0 111.88 -169.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 11.2 m-30 -49.74 156.12 1.29 Allowed Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 121.874 0.845 . . . . 0.0 110.756 170.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 55.7 Cg_endo -62.28 108.95 0.75 Allowed 'Trans proline' 0 N--CA 1.531 3.693 1 C-N-CA 126.479 4.786 . . . . 0.0 114.639 -174.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.69 -4.46 8.61 Favored Glycine 0 C--O 1.243 0.693 0 O-C-N 120.841 -1.162 . . . . 0.0 112.368 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.462 ' CE2' ' HG2' ' A' ' 12' ' ' GLN . 20.1 m-85 -129.82 164.01 25.03 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.14 -1.212 . . . . 0.0 110.893 -177.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.61 176.44 12.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.331 1.062 . . . . 0.0 112.216 -176.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.04 151.24 27.02 Favored Glycine 0 N--CA 1.46 0.3 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -170.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -44.39 -36.37 9.46 Favored 'Trans proline' 0 N--CA 1.528 3.518 1 C-N-CA 126.263 4.642 . . . . 0.0 114.961 175.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -108.86 18.58 20.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.142 0.496 . . . . 0.0 111.865 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 m 45.17 36.97 2.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.913 0.863 . . . . 0.0 110.789 -170.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.39 0.91 43.98 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -173.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -122.65 139.52 53.85 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.305 -0.872 . . . . 0.0 110.845 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.1 t -111.98 152.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.306 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.483 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 8.9 p . . . . . 0 C--O 1.244 0.77 0 CA-C-O 120.496 0.189 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.29 109.46 12.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.252 1.025 . . . . 0.0 111.077 -169.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.21 -176.81 4.07 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.146 0.974 . . . . 0.0 110.259 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -25.69 47.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.933 -169.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -71.98 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 111.7 167.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 t 63.94 -102.83 0.1 Allowed 'General case' 0 C--N 1.318 -0.789 0 O-C-N 120.132 -1.605 . . . . 0.0 110.437 -172.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.8 m -115.81 57.64 0.75 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 110.978 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.31 30.14 1.43 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.253 -0.904 . . . . 0.0 111.435 -170.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 53.73 48.91 20.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.788 0.804 . . . . 0.0 111.169 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.63 14.11 2.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.203 171.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.81 172.19 45.08 Favored Glycine 0 C--N 1.32 -0.344 0 CA-C-O 122.088 0.827 . . . . 0.0 111.816 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.1 138.19 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.009 0.909 . . . . 0.0 111.298 -171.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.2 t -76.39 128.15 34.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.628 0.728 . . . . 0.0 111.447 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 25' ' ' SER . 6.8 mt -118.3 73.74 0.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.051 0.929 . . . . 0.0 110.518 171.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 22' ' ' TYR . 4.1 tm-20 -45.88 133.79 8.29 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.351 0.66 . . . . 0.0 111.864 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 p -117.8 -166.5 1.21 Allowed 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.51 -0.744 . . . . 0.0 110.88 170.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.6 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -169.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.73 20.24 0.17 Allowed Glycine 0 N--CA 1.464 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.942 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 173.34 118.21 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.648 -0.913 . . . . 0.0 110.983 -172.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.491 ' CB ' ' HA ' ' A' ' 17' ' ' GLU . 10.4 p90 -81.06 168.39 18.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 122.61 1.195 . . . . 0.0 111.87 -175.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -138.21 143.17 40.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.855 -176.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -96.31 135.49 38.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.424 1.107 . . . . 0.0 112.115 -168.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.631 ' HB3' HD11 ' A' ' 16' ' ' LEU . 7.9 p -103.84 81.9 1.93 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.829 0.823 . . . . 0.0 110.365 169.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.88 136.27 40.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.249 1.023 . . . . 0.0 111.863 -170.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.61 162.88 53.33 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.947 170.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -54.92 125.12 18.07 Favored 'Trans proline' 0 N--CA 1.533 3.809 1 C-N-CA 126.286 4.657 . . . . 0.0 114.535 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.87 8.4 39.63 Favored Glycine 0 C--O 1.24 0.53 0 O-C-N 120.702 -1.249 . . . . 0.0 112.041 174.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -138.91 155.23 48.22 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.507 -0.996 . . . . 0.0 111.153 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 2.1 p90 -155.78 175.51 13.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.301 1.048 . . . . 0.0 111.714 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.98 161.14 28.59 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 -170.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.69 -2.19 4.99 Favored 'Trans proline' 0 N--CA 1.529 3.582 1 C-N-CA 126.053 4.502 . . . . 0.0 116.235 -176.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.12 21.82 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.19 -0.944 . . . . 0.0 111.196 170.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.26 52.91 11.52 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.303 -0.873 . . . . 0.0 110.715 -170.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -92.98 -31.59 14.84 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.407 0.623 . . . . 0.0 111.568 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 40.2 m-85 -104.86 139.7 39.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.754 0.788 . . . . 0.0 110.784 -171.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -112.05 145.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.769 0.795 . . . . 0.0 111.299 -171.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.664 0.745 . . . . 0.0 111.268 171.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.599 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 121.069 0.462 . . . . 0.0 111.525 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 44.9 t -159.99 131.14 5.84 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 120.662 -1.274 . . . . 0.0 112.235 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.93 -169.49 1.53 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.856 0.836 . . . . 0.0 110.673 170.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.09 -51.18 70.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.506 -170.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.492 ' HG2' ' CD ' ' A' ' 11' ' ' LYS . 29.3 mtt -116.81 48.23 1.33 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.027 -174.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.44 123.09 4.54 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.207 1.004 . . . . 0.0 112.265 170.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 m 67.06 48.59 1.21 Allowed 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 168.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 74.3 8.33 4.57 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.24 -0.913 . . . . 0.0 112.439 170.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' CD ' ' HG2' ' A' ' 7' ' ' MET . 22.2 mtmt 60.06 40.6 18.37 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.126 -0.984 . . . . 0.0 110.914 -170.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -137.75 20.83 2.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.589 0.709 . . . . 0.0 110.944 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.74 163.21 28.13 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -170.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.37 -173.39 2.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.234 1.016 . . . . 0.0 111.493 -170.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -114.96 124.23 51.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.427 0.632 . . . . 0.0 110.778 -174.554 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.33 115.76 30.74 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.779 -0.576 . . . . 0.0 111.393 169.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.599 ' HG2' ' CB ' ' A' ' 3' ' ' SER . 12.1 mp0 -102.98 134.48 46.36 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.836 1.303 . . . . 0.0 110.42 -169.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -134.19 -170.18 2.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.951 1.358 . . . . 0.0 112.399 -166.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -69.42 0.1 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -167.478 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.75 32.4 0.09 OUTLIER Glycine 0 N--CA 1.463 0.438 0 O-C-N 121.5 -0.75 . . . . 0.0 112.266 171.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.84 178.47 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.834 0.826 . . . . 0.0 110.648 -175.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.491 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 1.4 p90 -123.77 167.77 13.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 123.084 1.421 . . . . 0.0 113.439 169.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.0 p -117.67 -166.1 1.16 Allowed 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.709 167.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.2 m -114.72 148.21 38.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.422 1.106 . . . . 0.0 111.972 170.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.0 p -115.58 83.75 1.98 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.943 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -49.28 142.52 7.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.874 0.845 . . . . 0.0 111.899 -169.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 6.7 m-30 -62.65 157.42 58.05 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 121.547 0.689 . . . . 0.0 110.464 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 26.8 Cg_endo -57.45 102.27 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.69 1 C-N-CA 126.486 4.791 . . . . 0.0 114.795 -174.225 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.43 9.37 Favored Glycine 0 C--O 1.242 0.609 0 O-C-N 120.8 -1.187 . . . . 0.0 111.631 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -138.82 149.81 45.34 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.411 -1.052 . . . . 0.0 111.244 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -162.41 156.22 20.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.206 1.003 . . . . 0.0 111.62 -173.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.63 160.32 13.8 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -170.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -42.96 -31.23 2.16 Favored 'Trans proline' 0 N--CA 1.528 3.523 1 C-N-CA 126.309 4.673 . . . . 0.0 115.118 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -127.54 21.44 6.56 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 121.759 -0.588 . . . . 0.0 111.821 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.425 -0.797 . . . . 0.0 110.984 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 4.5 pt-20 -91.78 -24.81 19.3 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.749 -0.594 . . . . 0.0 112.055 -170.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 48.9 m-85 -98.42 158.37 15.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.661 0.743 . . . . 0.0 110.981 174.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.4 t -125.48 142.77 41.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.011 0.91 . . . . 0.0 111.069 -171.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HG2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.754 0.787 . . . . 0.0 111.086 172.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 122.475 1.131 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 1.8 p -26.7 131.89 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 125.463 1.505 . . . . 0.0 113.22 169.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -137.62 -93.8 0.21 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.358 0.599 . . . . 0.0 112.31 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.04 -39.05 7.91 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.389 -0.819 . . . . 0.0 110.845 -170.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 ttm -120.32 53.02 1.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.65 0.738 . . . . 0.0 111.49 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -42.96 103.06 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.683 0.754 . . . . 0.0 111.774 169.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m 51.43 50.29 19.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.256 173.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m 67.45 23.86 8.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.224 0.535 . . . . 0.0 111.589 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 45.74 45.91 11.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.82 0.819 . . . . 0.0 110.986 -171.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -136.85 20.27 3.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.252 0.549 . . . . 0.0 111.812 -170.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.72 162.68 28.65 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-O 122.163 0.868 . . . . 0.0 111.653 -170.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.46 126.37 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.81 0.815 . . . . 0.0 111.247 -171.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.84 129.14 38.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 111.466 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -117.15 75.19 0.96 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.183 0.992 . . . . 0.0 110.58 170.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 127.94 34.91 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.553 1.168 . . . . 0.0 111.379 -170.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 p -104.62 -173.88 2.41 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.997 0.919 . . . . 0.0 110.767 171.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.02 115.94 8.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.72 0.771 . . . . 0.0 110.748 171.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.04 31.08 78.32 Favored Glycine 0 C--O 1.239 0.427 0 O-C-N 121.968 -0.458 . . . . 0.0 112.251 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 173.85 -179.21 0.09 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.844 -0.798 . . . . 0.0 110.968 170.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.21 178.32 7.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.86 1.314 . . . . 0.0 112.763 169.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -138.13 138.3 38.53 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.037 170.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 m -97.82 126.43 43.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.858 0.837 . . . . 0.0 111.146 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.9 p -96.92 81.7 3.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.885 0.85 . . . . 0.0 110.654 170.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.49 139.68 36.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.261 1.029 . . . . 0.0 111.409 -170.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.412 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 24.2 m-85 -53.01 156.4 3.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 122.007 0.908 . . . . 0.0 111.185 171.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 72.5 Cg_endo -66.84 111.38 2.16 Favored 'Trans proline' 0 N--CA 1.531 3.711 1 C-N-CA 126.533 4.822 . . . . 0.0 114.565 -178.186 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.16 -12.02 8.1 Favored Glycine 0 C--O 1.242 0.617 0 O-C-N 120.705 -1.247 . . . . 0.0 112.588 -170.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.18 153.28 49.6 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.264 -1.139 . . . . 0.0 110.877 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.57 172.43 17.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.232 1.015 . . . . 0.0 111.469 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.81 159.87 26.66 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.97 -24.5 2.26 Favored 'Trans proline' 0 N--CA 1.528 3.549 1 C-N-CA 126.33 4.687 . . . . 0.0 115.168 -177.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.78 20.12 4.62 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.494 -0.753 . . . . 0.0 111.608 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 45.72 48.72 11.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.223 1.011 . . . . 0.0 110.473 -169.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 5.3 pt-20 -98.38 -26.78 14.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -171.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 10.9 m-85 -106.91 148.84 28.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.816 0.817 . . . . 0.0 110.7 -177.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -108.99 145.85 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.447 0.642 . . . . 0.0 110.734 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 . . . . . 0 C--O 1.245 0.849 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.473 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 22' ' ' TYR . 20.7 m . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.562 0.696 . . . . 0.0 112.847 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 32.5 t -49.56 100.79 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.44 1.114 . . . . 0.0 112.257 -169.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -166.63 1.27 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.184 170.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -48.78 -65.85 0.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.317 1.056 . . . . 0.0 111.891 -170.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.8 41.51 1.11 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 111.105 -172.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -40.28 118.22 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.177 -0.952 . . . . 0.0 113.048 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 m 50.93 45.84 27.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.719 0.771 . . . . 0.0 111.486 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.36 36.62 20.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.321 0.581 . . . . 0.0 111.678 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 51.56 27.14 3.69 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.875 0.845 . . . . 0.0 111.322 173.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -129.79 28.17 5.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.549 0.69 . . . . 0.0 111.325 -170.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.87 158.05 13.15 Favored Glycine 0 N--CA 1.462 0.41 0 CA-C-O 121.873 0.707 . . . . 0.0 111.48 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -98.77 132.33 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.669 0.747 . . . . 0.0 111.252 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 18.3 p -70.28 119.55 14.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 122.363 1.077 . . . . 0.0 111.68 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 25' ' ' SER . 4.9 mt -102.71 77.3 1.58 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.658 1.218 . . . . 0.0 110.115 170.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.82 156.77 36.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.613 1.197 . . . . 0.0 112.916 -168.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 p -146.33 -176.82 5.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.875 0.845 . . . . 0.0 110.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 19' ' ' ILE . 27.5 mm -77.84 9.26 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.941 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.75 20.8 0.11 Allowed Glycine 0 N--CA 1.463 0.496 0 O-C-N 121.445 -0.784 . . . . 0.0 112.423 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 164.43 -179.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.671 -0.9 . . . . 0.0 110.663 -170.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CG ' ' CB ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -127.87 178.34 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 123.425 1.583 . . . . 0.0 113.051 169.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -137.95 135.94 36.51 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.832 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.3 m -98.49 128.2 44.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.169 0.985 . . . . 0.0 111.192 -171.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.402 ' HB3' HD11 ' A' ' 16' ' ' LEU . 6.4 p -96.74 84.01 3.54 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.714 0.768 . . . . 0.0 110.966 173.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.5 m -57.9 124.42 19.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.958 0.885 . . . . 0.0 110.948 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -51.28 159.41 1.11 Allowed Pre-proline 0 CA--C 1.51 -0.559 0 CA-C-O 121.707 0.765 . . . . 0.0 110.74 170.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.72 120.61 8.06 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.128 4.552 . . . . 0.0 114.436 -174.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.486 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 106.73 -2.0 36.26 Favored Glycine 0 C--O 1.24 0.521 0 O-C-N 120.729 -1.232 . . . . 0.0 111.773 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.11 161.07 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.469 -1.018 . . . . 0.0 110.645 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -155.56 175.87 13.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.356 1.074 . . . . 0.0 111.942 -178.591 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.52 150.5 25.39 Favored Glycine 0 N--CA 1.462 0.391 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -170.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.18 -29.29 1.07 Allowed 'Trans proline' 0 N--CA 1.53 3.619 1 C-N-CA 126.255 4.637 . . . . 0.0 115.177 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -126.31 22.35 7.15 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.615 -0.678 . . . . 0.0 111.848 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.012 0.91 . . . . 0.0 110.617 -170.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.47 17.21 24.56 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.468 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 66.7 m-85 -138.39 140.25 39.29 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.351 -0.843 . . . . 0.0 111.227 171.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -101.15 136.15 34.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 0.0 110.794 176.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.486 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 54.8 mtp85 . . . . . 0 C--N 1.319 -0.72 0 CA-C-O 121.683 0.754 . . . . 0.0 111.115 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.534 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 83.5 p . . . . . 0 CA--C 1.513 -0.47 0 CA-C-O 122.61 1.195 . . . . 0.0 113.581 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 35.31 89.54 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.135 1.774 . . . . 0.0 114.025 168.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -127.16 -154.12 0.61 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.681 -0.637 . . . . 0.0 109.838 168.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -69.43 0.13 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.387 1.089 . . . . 0.0 111.928 -171.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 ttp -92.11 48.63 1.44 Allowed 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.311 -0.868 . . . . 0.0 112.16 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.12 108.87 0.85 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.049 0.928 . . . . 0.0 110.638 170.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.39 42.9 31.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 111.589 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.09 29.78 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.67 0.748 . . . . 0.0 111.096 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt 43.58 42.6 4.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.587 0.708 . . . . 0.0 111.396 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -135.42 16.17 3.42 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.2 38.91 Favored Glycine 0 N--CA 1.463 0.437 0 O-C-N 121.479 -0.763 . . . . 0.0 111.259 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -98.34 139.11 34.59 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.633 -0.922 . . . . 0.0 111.799 -170.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 128.86 33.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.018 0.913 . . . . 0.0 111.293 -176.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD12 ' OG1' ' A' ' 23' ' ' THR . 0.1 OUTLIER -115.15 75.4 0.93 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.938 0.875 . . . . 0.0 110.428 169.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HG3' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -66.56 153.88 41.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.675 1.226 . . . . 0.0 112.36 -169.166 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.0 p -143.89 -176.12 4.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.685 -170.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.53 108.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 0.0 110.721 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.55 82.25 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 173.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -177.08 176.55 1.38 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.56 1.171 . . . . 0.0 111.301 172.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.15 157.53 44.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.299 1.047 . . . . 0.0 111.28 170.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.458 ' OG1' HD12 ' A' ' 16' ' ' LEU . 49.1 p -118.97 170.64 8.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.735 170.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 m -118.3 140.72 49.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.659 1.219 . . . . 0.0 112.416 174.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.3 p -103.84 78.19 1.53 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.48 167.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.25 133.68 28.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.55 0.69 . . . . 0.0 111.379 -169.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -52.96 163.42 0.85 Allowed Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.807 0.813 . . . . 0.0 110.762 -177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.05 104.68 0.6 Allowed 'Trans proline' 0 N--CA 1.53 3.647 1 C-N-CA 126.615 4.877 . . . . 0.0 114.484 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.66 -15.75 6.63 Favored Glycine 0 C--O 1.242 0.607 0 O-C-N 120.884 -1.135 . . . . 0.0 112.449 -172.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 4.7 m-85 -126.01 163.68 22.5 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.246 -1.149 . . . . 0.0 110.748 -175.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.95 177.62 6.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.868 0.842 . . . . 0.0 111.27 -174.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.45 162.11 37.62 Favored Glycine 0 C--N 1.321 -0.285 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -171.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.88 -57.66 1.63 Allowed 'Trans proline' 0 N--CA 1.528 3.512 1 C-N-CA 126.481 4.787 . . . . 0.0 114.989 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -99.77 22.34 11.18 Favored 'General case' 0 C--O 1.242 0.675 0 O-C-N 121.663 -0.648 . . . . 0.0 111.338 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 54.07 48.92 19.98 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.217 -0.927 . . . . 0.0 110.521 -170.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -83.48 -21.8 32.72 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.247 -177.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.26 145.18 27.55 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.634 -175.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.67 138.32 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.124 -178.293 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.491 0.662 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.94 -163.32 0.16 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.032 0.92 . . . . 0.0 111.539 -170.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 39.7 p -53.35 106.0 0.16 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.962 0.887 . . . . 0.0 112.358 -169.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 25.32 91.13 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 125.762 1.625 . . . . 0.0 114.055 -173.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -121.33 -165.44 1.23 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.669 0.747 . . . . 0.0 111.442 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -52.51 -52.22 55.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.015 0.912 . . . . 0.0 111.306 -170.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -111.23 59.89 0.61 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.635 0.731 . . . . 0.0 111.499 178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -84.06 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.542 0.687 . . . . 0.0 111.501 169.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -127.39 62.95 1.35 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.947 0.879 . . . . 0.0 110.981 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.88 24.88 14.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.487 0.661 . . . . 0.0 111.323 -173.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp 44.62 47.7 8.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.928 0.87 . . . . 0.0 111.233 -171.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -133.87 29.28 3.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.067 0.937 . . . . 0.0 111.353 -173.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.6 170.5 36.44 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.66 145.05 31.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.052 0.929 . . . . 0.0 111.109 -172.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.27 131.97 37.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.613 0.721 . . . . 0.0 110.984 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 mt -113.43 77.36 1.05 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.179 0.99 . . . . 0.0 110.673 170.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 22' ' ' TYR . 1.5 mt-10 -56.23 163.48 1.62 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.617 1.198 . . . . 0.0 112.019 -170.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.8 -170.66 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.796 -170.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -65.51 -4.39 2.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -171.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.68 31.16 0.07 OUTLIER Glycine 0 C--N 1.319 -0.403 0 N-CA-C 110.724 -0.951 . . . . 0.0 110.724 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.35 -154.93 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.93 -0.747 . . . . 0.0 110.607 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.453 ' CB ' ' HA ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -160.8 -179.69 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.55 1.167 . . . . 0.0 112.461 169.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 p -137.09 -163.96 1.51 Allowed 'General case' 0 C--O 1.242 0.667 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.49 169.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.1 m -136.05 131.48 34.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.41 1.1 . . . . 0.0 111.936 -170.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 p -105.56 86.53 2.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.883 0.849 . . . . 0.0 110.775 170.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.93 130.66 38.21 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.939 0.876 . . . . 0.0 111.702 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 20.3 m-85 -51.89 156.43 2.52 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 121.829 0.824 . . . . 0.0 111.012 171.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 91.0 Cg_endo -72.73 102.83 1.47 Allowed 'Trans proline' 0 N--CA 1.531 3.735 1 C-N-CA 126.214 4.609 . . . . 0.0 114.701 -178.239 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.96 -22.59 3.6 Favored Glycine 0 C--N 1.318 -0.436 0 O-C-N 120.818 -1.176 . . . . 0.0 110.712 -169.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 13.9 m-85 -114.65 167.62 10.59 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.895 -0.768 . . . . 0.0 111.106 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.403 ' CE1' ' HG2' ' A' ' 39' ' ' ARG . 2.1 p90 -159.86 177.66 10.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.223 1.011 . . . . 0.0 111.779 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.9 159.66 30.56 Favored Glycine 0 N--CA 1.462 0.371 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -170.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.3 -0.08 2.61 Favored 'Trans proline' 0 N--CA 1.53 3.631 1 C-N-CA 125.985 4.457 . . . . 0.0 116.3 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.37 18.87 2.75 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.274 -0.891 . . . . 0.0 111.346 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 49.83 10.56 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.791 0.805 . . . . 0.0 111.251 -171.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -99.81 -10.67 21.54 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -104.81 163.84 12.21 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.349 -0.844 . . . . 0.0 110.936 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.42 137.88 54.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.952 0.882 . . . . 0.0 111.014 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 1.2 mtm105 -75.37 -170.4 1.2 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.547 0.689 . . . . 0.0 111.07 171.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--O 1.27 2.177 0 CA-C-O 122.083 0.944 . . . . 0.0 111.093 175.635 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.24 0.58 0 CA-C-O 121.232 0.539 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.42 153.01 39.64 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.47 1.129 . . . . 0.0 111.544 -171.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 33.2 p 63.22 81.29 0.21 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 123.191 1.472 . . . . 0.0 111.784 169.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 30.25 89.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 126.142 1.777 . . . . 0.0 114.061 173.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -106.28 -130.62 0.29 Allowed 'General case' 0 C--O 1.25 1.092 0 O-C-N 121.915 -0.49 . . . . 0.0 110.163 169.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.2 -39.36 10.13 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 120.889 -1.132 . . . . 0.0 110.571 -169.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.62 42.41 1.18 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.402 171.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.19 117.42 0.98 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.421 -0.799 . . . . 0.0 111.552 169.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 40.93 75.77 0.08 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.363 0.602 . . . . 0.0 111.378 -170.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 46.45 -96.45 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.247 0.619 . . . . 0.0 111.189 -174.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -166.3 32.21 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.339 1.066 . . . . 0.0 110.728 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -8.81 8.26 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.708 -0.62 . . . . 0.0 112.438 -173.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 26' ' ' CYS . . . -157.39 172.3 34.77 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-O 122.313 0.952 . . . . 0.0 112.271 -170.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -105.91 -177.99 3.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.739 0.781 . . . . 0.0 111.149 -171.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.97 139.97 45.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.69 0.757 . . . . 0.0 111.848 -170.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 25' ' ' SER . 7.6 mt -128.0 68.62 1.33 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.358 1.075 . . . . 0.0 110.347 169.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 0.4 OUTLIER -54.18 163.28 0.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.331 1.062 . . . . 0.0 111.526 -170.549 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -145.31 -177.04 5.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.473 0.654 . . . . 0.0 110.665 -170.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -14.87 10.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -170.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.61 29.42 0.19 Allowed Glycine 0 C--N 1.317 -0.521 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -176.95 -160.59 0.06 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.69 0.757 . . . . 0.0 110.749 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.2 163.35 40.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.583 1.183 . . . . 0.0 111.979 170.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 p -124.55 -179.01 4.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.668 170.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -127.76 128.81 45.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.236 1.017 . . . . 0.0 112.12 -170.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.607 ' HB3' HD11 ' A' ' 16' ' ' LEU . 19.3 p -103.75 76.34 1.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.99 0.9 . . . . 0.0 109.429 169.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . 56.3 m -70.27 152.89 43.69 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.596 1.189 . . . . 0.0 112.613 -168.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.413 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 3.5 m-30 -59.33 152.65 52.62 Favored Pre-proline 0 CA--C 1.51 -0.584 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.472 170.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 43.7 Cg_endo -61.95 118.26 5.13 Favored 'Trans proline' 0 N--CA 1.533 3.804 1 C-N-CA 126.038 4.492 . . . . 0.0 114.514 -174.235 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.523 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 106.59 21.91 8.02 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.682 -1.261 . . . . 0.0 111.796 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -138.81 151.42 47.03 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.499 -1.001 . . . . 0.0 111.18 170.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.1 171.9 19.11 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 122.32 1.057 . . . . 0.0 112.005 -172.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.58 161.07 25.01 Favored Glycine 0 N--CA 1.46 0.269 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -170.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -43.96 -52.3 5.65 Favored 'Trans proline' 0 N--CA 1.528 3.529 1 C-N-CA 126.309 4.672 . . . . 0.0 114.838 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -100.38 19.97 15.69 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.279 0.561 . . . . 0.0 111.551 172.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.6 m 46.38 40.67 8.19 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.029 0.918 . . . . 0.0 110.678 -168.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.02 20.49 4.22 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.899 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -133.44 141.4 47.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.907 0.861 . . . . 0.0 110.749 170.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.27 138.81 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.422 0.629 . . . . 0.0 110.459 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.523 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 10.5 mtp180 -50.2 161.13 0.3 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.779 0.8 . . . . 0.0 111.566 -174.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.269 2.127 0 CA-C-O 122.009 0.909 . . . . 0.0 110.931 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.239 0.538 0 CA-C-O 121.123 0.487 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -43.82 -62.12 1.21 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 122.203 1.001 . . . . 0.0 111.778 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.574 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 93.8 p -125.87 -137.88 0.27 Allowed 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.62 -167.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.442 ' HB3' ' HB3' ' A' ' 8' ' ' SER . 53.6 m -87.1 143.45 27.31 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.264 -0.897 . . . . 0.0 111.57 -169.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.69 -163.48 1.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.496 0.665 . . . . 0.0 110.903 171.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.12 -54.4 10.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.255 1.026 . . . . 0.0 111.057 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -99.3 68.56 1.64 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 170.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -44.19 -83.69 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.01 0.433 . . . . 0.0 112.139 171.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 m -122.63 46.69 2.09 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.518 0.675 . . . . 0.0 111.359 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m 66.03 26.09 10.86 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.612 -0.68 . . . . 0.0 111.242 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt 47.74 35.88 5.12 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.031 0.92 . . . . 0.0 111.0 -173.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.486 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 1.5 tt0 -133.24 30.1 3.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.303 0.573 . . . . 0.0 111.698 -177.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' HA2' ' CD1' ' A' ' 27' ' ' TYR . . . 177.78 164.26 30.85 Favored Glycine 0 N--CA 1.462 0.388 0 CA-C-O 122.014 0.785 . . . . 0.0 111.19 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -99.99 150.03 22.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.945 0.878 . . . . 0.0 111.325 -170.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.1 m -72.96 140.67 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.15 0.976 . . . . 0.0 111.81 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.021 HD11 ' HB3' ' A' ' 25' ' ' SER . 9.3 mt -131.86 71.06 1.46 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.918 0.866 . . . . 0.0 111.001 170.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.574 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 12.7 mp0 -63.9 152.86 38.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.042 0.925 . . . . 0.0 110.958 -171.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.2 p -139.63 -171.27 3.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.43 0.633 . . . . 0.0 110.76 -171.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -62.17 102.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.838 0.828 . . . . 0.0 110.885 171.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.13 36.64 92.15 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 171.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 178.81 -167.74 0.08 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.899 0.857 . . . . 0.0 111.101 172.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.524 ' CG ' ' HA ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -151.15 170.64 18.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.539 1.161 . . . . 0.0 112.378 170.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -132.95 -171.17 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.627 170.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 m -127.64 150.85 49.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.575 1.178 . . . . 0.0 111.787 170.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 1.021 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.2 p -109.19 78.59 1.15 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.036 169.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.9 m -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.81 0.814 . . . . 0.0 111.67 -170.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.427 ' CD1' ' HA2' ' A' ' 13' ' ' GLY . 13.6 m-30 -51.68 158.48 1.56 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 121.867 0.841 . . . . 0.0 111.279 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -57.47 107.18 0.28 Allowed 'Trans proline' 0 N--CA 1.532 3.744 1 C-N-CA 126.479 4.786 . . . . 0.0 114.741 175.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.13 -17.87 5.08 Favored Glycine 0 C--O 1.241 0.542 0 O-C-N 120.805 -1.184 . . . . 0.0 112.305 -173.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 8.5 m-85 -129.07 169.89 14.17 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.364 -1.08 . . . . 0.0 110.996 -173.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 26.6 p90 -164.04 177.93 8.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.269 1.033 . . . . 0.0 112.033 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.84 152.54 25.68 Favored Glycine 0 N--CA 1.462 0.407 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -170.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -44.8 -36.02 10.26 Favored 'Trans proline' 0 N--CA 1.528 3.525 1 C-N-CA 126.436 4.757 . . . . 0.0 115.117 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.61 20.55 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.892 -0.505 . . . . 0.0 111.306 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 47.53 42.02 14.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.231 1.015 . . . . 0.0 110.618 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -84.36 -11.35 56.46 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.529 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 51.9 m-85 -111.49 155.92 22.49 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.325 -0.86 . . . . 0.0 110.689 175.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -126.81 143.19 41.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 122.027 0.917 . . . . 0.0 111.02 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -65.53 149.77 49.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.794 0.807 . . . . 0.0 110.935 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--O 1.27 2.177 0 CA-C-O 122.133 0.968 . . . . 0.0 110.945 -171.475 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 1.8 m . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 121.52 0.676 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 1' ' ' THR . . . -178.04 96.88 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.539 0.685 . . . . 0.0 111.438 172.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -47.33 -65.06 0.62 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.786 1.279 . . . . 0.0 110.019 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -76.09 137.31 40.07 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.791 -171.212 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.98 125.05 34.44 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.182 -170.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t70 30.24 -85.77 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 126.019 1.728 . . . . 0.0 113.926 -171.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.454 ' HG2' ' HE3' ' A' ' 11' ' ' LYS . 2.1 mtt -80.1 24.49 0.42 Allowed 'General case' 0 C--O 1.253 1.272 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -168.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 p 55.07 -163.78 0.13 Allowed 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.655 -1.278 . . . . 0.0 112.613 167.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.59 80.47 4.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.49 0.662 . . . . 0.0 111.295 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m 46.49 34.46 2.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.434 0.635 . . . . 0.0 111.027 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HE3' ' HG2' ' A' ' 7' ' ' MET . 2.8 mtmp? 58.37 36.98 25.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.739 0.781 . . . . 0.0 110.983 171.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -137.97 22.35 2.84 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.165 0.507 . . . . 0.0 111.739 -173.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.64 155.96 13.84 Favored Glycine 0 C--N 1.32 -0.313 0 CA-C-O 122.326 0.959 . . . . 0.0 111.759 -171.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.11 121.2 42.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.782 0.801 . . . . 0.0 111.861 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.764 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 20.1 m -73.53 136.75 44.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 123.025 1.393 . . . . 0.0 111.57 -176.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' C ' ' HB3' ' A' ' 22' ' ' TYR . 15.1 mt -134.66 111.02 9.66 Favored 'General case' 0 C--O 1.258 1.516 0 C-N-CA 123.888 0.875 . . . . 0.0 112.556 -166.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.722 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -102.3 145.39 29.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 127.056 3.313 . . . . 0.0 115.827 -166.554 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -120.36 -160.96 0.86 Allowed 'General case' 0 C--O 1.246 0.911 0 C-N-CA 127.256 2.222 . . . . 0.0 110.693 -163.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -11.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -171.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.38 40.43 0.09 OUTLIER Glycine 0 C--O 1.243 0.663 0 CA-C-N 116.52 -0.309 . . . . 0.0 112.628 170.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.17 143.31 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 O-C-N 121.512 -0.993 . . . . 0.0 111.262 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.764 ' CD2' ' HB3' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -106.37 165.04 11.55 Favored 'General case' 0 C--N 1.356 0.856 1 CA-C-O 129.494 4.473 . . . . 0.0 115.073 170.368 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -121.83 -165.05 1.21 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 111.551 -2.568 . . . . 0.0 111.062 -167.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.4 m -123.85 129.87 51.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.79 1.281 . . . . 0.0 113.509 170.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -109.26 84.98 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.089 0.947 . . . . 0.0 110.399 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.0 m -59.29 128.5 37.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.437 1.113 . . . . 0.0 111.384 -170.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 8.5 m-85 -43.63 160.28 0.22 Allowed Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 122.228 1.013 . . . . 0.0 111.697 170.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 30.9 Cg_endo -76.64 26.08 0.44 Allowed 'Trans proline' 0 N--CA 1.533 3.832 1 C-N-CA 126.684 4.923 . . . . 0.0 116.905 -177.447 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . -137.91 16.22 3.5 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 121.37 -0.831 . . . . 0.0 111.485 168.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -139.53 170.14 16.46 Favored 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.55 -0.971 . . . . 0.0 111.096 176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -164.43 171.39 14.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.936 1.35 . . . . 0.0 112.512 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.3 148.44 23.12 Favored Glycine 0 N--CA 1.462 0.38 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 -169.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -43.68 -26.13 1.11 Allowed 'Trans proline' 0 N--CA 1.53 3.635 1 C-N-CA 126.148 4.565 . . . . 0.0 115.605 -177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.53 20.37 8.69 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 121.548 -0.72 . . . . 0.0 111.029 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 44.45 53.01 7.22 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.951 0.882 . . . . 0.0 110.677 -169.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 10.4 pt-20 -101.36 4.62 41.68 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 8.7 m-85 -116.16 136.21 53.22 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.215 -0.928 . . . . 0.0 110.74 171.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.42 137.06 41.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.415 0.626 . . . . 0.0 110.692 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.515 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 64.0 mtp180 -51.63 161.11 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.528 0.68 . . . . 0.0 110.885 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.27 2.155 0 CA-C-O 121.966 0.889 . . . . 0.0 110.826 -170.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.773 0.796 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.85 -66.99 0.86 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.58 0.705 . . . . 0.0 112.527 -171.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.517 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . 4.0 p -138.7 -103.17 0.17 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -165.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 134.98 47.19 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.199 -0.938 . . . . 0.0 112.053 -166.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -136.75 -109.78 0.19 Allowed 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.714 169.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -109.08 -47.55 3.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 122.118 0.961 . . . . 0.0 109.836 -170.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.49 37.04 1.06 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.137 170.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -35.01 110.79 0.1 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.723 0.773 . . . . 0.0 112.883 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.5 m 64.78 41.81 4.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.384 0.611 . . . . 0.0 111.45 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.7 m 53.04 35.88 20.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.524 0.678 . . . . 0.0 111.53 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.06 39.33 22.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.022 0.915 . . . . 0.0 111.345 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.42 ' C ' ' CD2' ' A' ' 27' ' ' TYR . 1.1 mt-30 -136.33 23.14 3.22 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.67 -0.644 . . . . 0.0 111.765 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.483 ' N ' ' CE2' ' A' ' 27' ' ' TYR . . . 169.65 159.61 15.87 Favored Glycine 0 N--CA 1.461 0.356 0 CA-C-O 121.995 0.775 . . . . 0.0 111.382 -171.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -102.8 141.0 36.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.715 0.769 . . . . 0.0 111.196 -173.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.49 142.02 57.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.733 1.254 . . . . 0.0 110.729 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.8 mt -120.73 67.36 0.85 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.527 1.156 . . . . 0.0 109.757 170.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 3' ' ' SER . 1.8 tm-20 -53.34 126.06 19.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.19 0.995 . . . . 0.0 111.751 -169.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 p -105.93 -164.0 0.98 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.644 -0.66 . . . . 0.0 110.793 171.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -36.94 -90.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 124.729 1.212 . . . . 0.0 113.229 -175.383 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.536 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -111.98 50.35 0.78 Allowed Glycine 0 C--N 1.316 -0.577 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 171.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.96 -166.64 0.43 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.932 0.872 . . . . 0.0 111.158 170.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.517 ' CD1' ' HA ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -148.35 174.4 12.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.454 1.121 . . . . 0.0 112.31 170.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 p -137.9 158.43 44.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.015 170.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 64.5 m -99.3 134.09 42.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.169 0.985 . . . . 0.0 111.794 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.2 p -104.8 81.64 1.78 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.997 0.903 . . . . 0.0 110.59 169.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.9 127.5 31.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.94 0.876 . . . . 0.0 111.807 -170.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CE2' ' N ' ' A' ' 13' ' ' GLY . 34.0 m-85 -52.69 155.31 4.04 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 122.036 0.922 . . . . 0.0 111.966 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -52.41 104.66 0.1 OUTLIER 'Trans proline' 0 N--CA 1.529 3.611 1 C-N-CA 126.748 4.966 . . . . 0.0 115.15 174.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.584 ' HA2' ' HD3' ' A' ' 39' ' ' ARG . . . 136.09 -21.24 3.52 Favored Glycine 0 C--O 1.24 0.494 0 O-C-N 120.837 -1.165 . . . . 0.0 111.603 -174.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HD1' HG22 ' A' ' 38' ' ' VAL . 7.2 m-85 -132.36 166.65 21.47 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.432 -1.04 . . . . 0.0 111.378 -169.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 11.4 p90 -162.04 176.12 11.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.078 0.942 . . . . 0.0 111.649 176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.02 155.12 26.98 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -171.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.27 -12.61 10.71 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.085 4.523 . . . . 0.0 115.816 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -126.76 19.07 7.27 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.278 -0.889 . . . . 0.0 111.311 170.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m 41.75 45.63 3.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.931 0.872 . . . . 0.0 111.102 -169.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 9.9 pt-20 -95.96 -5.45 41.27 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -173.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.4 m-85 -106.14 155.49 19.39 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.278 -0.889 . . . . 0.0 110.761 171.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG22 ' HD1' ' A' ' 30' ' ' PHE . 39.9 t -125.49 141.97 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.192 0.996 . . . . 0.0 111.411 175.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HD3' ' HA2' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -64.67 -152.78 0.01 OUTLIER 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.301 171.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 C--O 1.27 2.168 0 O-C-N 120.987 -1.071 . . . . 0.0 111.296 -169.522 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 CA--C 1.511 -0.52 0 CA-C-O 121.719 0.771 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.79 -61.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.9 0.857 . . . . 0.0 111.501 -170.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 94.6 p -147.96 -139.1 0.09 Allowed 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.24 -169.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.78 135.45 16.26 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.847 -1.158 . . . . 0.0 111.992 -167.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -110.58 -155.22 0.56 Allowed 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.034 170.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -58.94 5.32 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.443 1.116 . . . . 0.0 111.588 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.0 35.42 0.98 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.285 -0.884 . . . . 0.0 112.267 -171.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.94 134.9 57.25 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.17 -0.956 . . . . 0.0 111.192 170.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.21 37.63 4.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.2 0.524 . . . . 0.0 111.282 -171.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.92 -164.85 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.334 0.588 . . . . 0.0 110.711 -172.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -96.14 47.45 1.09 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.56 1.172 . . . . 0.0 110.727 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -116.47 -34.42 4.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.628 0.728 . . . . 0.0 111.725 171.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -140.4 156.44 25.18 Favored Glycine 0 N--CA 1.463 0.473 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.92 159.23 16.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.769 1.271 . . . . 0.0 112.347 -170.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' C ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -83.79 139.63 32.57 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.014 0.911 . . . . 0.0 111.52 -170.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.619 HD12 ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -127.78 78.96 1.86 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.85 0.833 . . . . 0.0 110.473 170.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 7.1 tm-20 -66.54 145.07 56.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.306 1.05 . . . . 0.0 110.7 175.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 16' ' ' LEU . 5.4 p -146.81 -170.64 3.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.868 -170.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 20' ' ' GLY . 8.7 mt -27.63 -93.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 125.571 1.548 . . . . 0.0 113.691 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.537 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -114.62 47.64 1.02 Allowed Glycine 0 C--N 1.317 -0.511 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.599 175.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.07 176.23 0.14 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.586 0.708 . . . . 0.0 110.985 171.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 1.8 p90 -127.85 177.29 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.182 0.992 . . . . 0.0 112.261 171.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.619 ' OG1' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -137.92 -167.33 2.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.748 0.785 . . . . 0.0 111.366 -175.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.8 m -134.4 145.93 49.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.918 0.866 . . . . 0.0 111.068 169.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.559 ' N ' HD21 ' A' ' 16' ' ' LEU . 11.8 p -112.04 78.89 1.16 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 110.518 169.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.7 121.44 7.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.552 0.691 . . . . 0.0 110.762 -175.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.508 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 9.4 m-30 -53.37 168.67 0.36 Allowed Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 122.23 1.014 . . . . 0.0 111.147 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.508 ' CD ' ' HB3' ' A' ' 27' ' ' TYR . 4.2 Cg_exo -78.52 29.11 0.46 Allowed 'Trans proline' 0 N--CA 1.529 3.577 1 C-N-CA 127.956 5.77 . . . . 0.0 116.074 -174.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' HA2' ' HD2' ' A' ' 39' ' ' ARG . . . -134.86 5.64 4.38 Favored Glycine 0 C--O 1.24 0.523 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 170.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -139.02 -172.12 3.25 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.418 -1.048 . . . . 0.0 111.27 -169.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 178.69 176.9 0.49 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.94 0.876 . . . . 0.0 111.28 170.319 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.62 155.89 26.48 Favored Glycine 0 C--N 1.32 -0.343 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -170.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -44.1 -37.95 10.18 Favored 'Trans proline' 0 N--CA 1.528 3.517 1 C-N-CA 126.237 4.625 . . . . 0.0 114.908 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -114.28 20.98 15.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.732 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.87 40.35 8.92 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.347 -0.845 . . . . 0.0 110.771 -170.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.458 ' HG3' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -82.51 -9.5 59.39 Favored 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.871 -0.518 . . . . 0.0 112.28 -174.364 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CD2' ' HG3' ' A' ' 36' ' ' GLU . 87.9 m-85 -119.81 136.08 54.61 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.41 -0.806 . . . . 0.0 110.464 -175.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.6 146.87 12.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.555 0.693 . . . . 0.0 110.736 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HD2' ' HA2' ' A' ' 29' ' ' GLY . 56.6 mtt180 -53.69 141.13 27.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.766 0.793 . . . . 0.0 111.264 -170.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.216 0 CA-C-O 121.882 0.848 . . . . 0.0 110.959 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 6.8 t . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 121.906 0.86 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 1' ' ' THR . . . -175.24 36.2 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.389 0.614 . . . . 0.0 111.295 170.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 24.6 p -163.87 84.56 0.46 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.335 1.54 . . . . 0.0 110.666 169.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t 40.7 80.92 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.996 1.318 . . . . 0.0 113.69 171.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.19 -164.09 0.98 Allowed 'General case' 0 C--N 1.318 -0.796 0 O-C-N 121.679 -0.638 . . . . 0.0 110.241 168.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -41.55 -62.42 0.88 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.46 1.124 . . . . 0.0 112.62 -170.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -118.54 60.74 0.79 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.59 1.662 . . . . 0.0 110.078 -178.682 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -37.98 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.163 -0.96 . . . . 0.0 112.859 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.12 68.63 0.67 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.701 0.762 . . . . 0.0 110.573 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p 56.85 -157.09 0.28 Allowed 'General case' 0 C--O 1.241 0.651 0 O-C-N 121.864 -0.522 . . . . 0.0 109.841 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -116.44 50.98 1.0 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.582 1.182 . . . . 0.0 110.412 170.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 5.0 mt-30 -133.4 13.38 4.16 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.205 176.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.66 161.98 34.3 Favored Glycine 0 C--N 1.319 -0.366 0 O-C-N 121.4 -0.812 . . . . 0.0 111.64 -170.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.12 -179.32 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.068 0.937 . . . . 0.0 111.375 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 120.87 42.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.488 0.661 . . . . 0.0 110.484 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.56 68.91 1.86 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.535 1.159 . . . . 0.0 110.423 170.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' CG ' ' HB2' ' A' ' 3' ' ' SER . 0.3 OUTLIER -65.5 121.46 14.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.088 0.947 . . . . 0.0 111.746 -169.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 p -98.36 -169.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.049 0.928 . . . . 0.0 111.32 -174.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -73.76 2.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -170.223 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.99 30.02 0.12 Allowed Glycine 0 C--N 1.319 -0.362 0 O-C-N 121.162 -0.961 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.479 ' ND2' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 178.95 -168.88 0.09 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.818 -0.813 . . . . 0.0 110.636 -170.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.479 ' N ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -148.86 168.55 22.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.491 1.138 . . . . 0.0 112.432 168.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.9 p -135.58 -173.17 3.28 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.721 169.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -134.53 128.18 32.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.274 1.035 . . . . 0.0 112.247 -170.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -100.71 90.34 4.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.604 0.716 . . . . 0.0 110.179 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -56.53 127.86 33.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.141 0.972 . . . . 0.0 111.303 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -47.32 163.31 0.26 Allowed Pre-proline 0 C--N 1.321 -0.644 0 CA-C-O 121.958 0.885 . . . . 0.0 111.315 171.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -67.82 109.84 1.99 Allowed 'Trans proline' 0 N--CA 1.531 3.718 1 C-N-CA 126.49 4.793 . . . . 0.0 114.51 -174.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 110.12 -8.57 31.22 Favored Glycine 0 C--O 1.24 0.493 0 O-C-N 120.804 -1.185 . . . . 0.0 111.509 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' ' HG2' ' A' ' 12' ' ' GLN . 16.7 m-85 -110.83 151.19 28.12 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.463 -1.022 . . . . 0.0 110.687 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.76 -174.42 4.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.117 0.96 . . . . 0.0 111.64 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.31 151.35 27.36 Favored Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -39.25 -29.38 0.21 Allowed 'Trans proline' 0 N--CA 1.528 3.545 1 C-N-CA 126.321 4.681 . . . . 0.0 115.215 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -133.33 23.24 4.08 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.621 -0.674 . . . . 0.0 111.474 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.35 57.76 5.52 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.215 -0.928 . . . . 0.0 110.542 -170.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -103.04 -3.76 25.52 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 177.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 7.6 m-85 -125.26 155.76 39.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.928 0.871 . . . . 0.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -111.04 131.51 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.677 0.751 . . . . 0.0 110.636 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.517 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 16.5 mtp180 -52.31 -25.64 10.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.978 0.894 . . . . 0.0 113.157 -177.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.272 2.238 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.771 -171.61 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.507 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.3 OUTLIER . . . . . 0 CA--C 1.511 -0.533 0 CA-C-O 121.546 0.688 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 1' ' ' THR . . . 73.09 162.01 0.25 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.342 0.591 . . . . 0.0 110.792 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 17.6 p 49.95 -151.39 0.18 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.901 0.858 . . . . 0.0 110.092 169.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 t -109.16 132.52 54.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.211 1.005 . . . . 0.0 110.331 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -133.48 -174.87 3.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.951 0.881 . . . . 0.0 110.751 -169.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.25 -53.63 33.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.253 1.025 . . . . 0.0 110.709 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -126.97 74.91 1.53 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 124.543 2.116 . . . . 0.0 110.173 174.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -47.62 -73.33 0.04 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 120.644 -1.285 . . . . 0.0 111.159 170.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.9 m -112.86 51.1 0.84 Allowed 'General case' 0 C--O 1.241 0.64 0 O-C-N 121.363 -0.836 . . . . 0.0 111.632 -171.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.72 27.29 16.04 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.186 -0.947 . . . . 0.0 111.849 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? 48.65 40.5 15.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.923 0.868 . . . . 0.0 111.118 -175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.33 24.74 4.49 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.759 0.79 . . . . 0.0 111.125 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 27' ' ' TYR . . . 167.52 160.66 15.35 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -167.27 1.48 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.996 -0.708 . . . . 0.0 110.804 -170.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.33 118.34 30.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.419 0.628 . . . . 0.0 110.361 -175.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -95.6 66.48 2.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.748 1.261 . . . . 0.0 110.467 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 1.8 tt0 -59.31 123.96 18.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.977 -170.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p -97.4 -170.08 1.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.66 0.743 . . . . 0.0 110.955 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -77.76 4.2 1.36 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -170.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -164.52 27.68 0.2 Allowed Glycine 0 N--CA 1.462 0.397 0 O-C-N 121.282 -0.886 . . . . 0.0 111.634 171.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.47 ' ND2' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 177.14 -167.12 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.902 -0.763 . . . . 0.0 110.507 -171.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.47 ' N ' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -148.09 174.5 11.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.746 1.26 . . . . 0.0 112.191 167.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 -164.37 1.58 Allowed 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.356 168.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -123.6 132.91 53.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.164 0.983 . . . . 0.0 111.766 -172.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.4 p -105.07 87.33 2.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.617 0.722 . . . . 0.0 110.253 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -51.93 129.84 27.95 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.1 0.952 . . . . 0.0 111.583 -170.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CD1' ' HA2' ' A' ' 13' ' ' GLY . 16.5 m-30 -54.91 160.97 2.57 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.822 0.82 . . . . 0.0 110.658 172.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -62.25 100.02 0.21 Allowed 'Trans proline' 0 N--CA 1.531 3.686 1 C-N-CA 126.045 4.497 . . . . 0.0 114.375 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.65 -2.34 5.67 Favored Glycine 0 C--O 1.242 0.635 0 O-C-N 120.977 -1.077 . . . . 0.0 112.803 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 34.9 m-85 -138.8 149.37 44.88 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 118.392 1.096 . . . . 0.0 111.521 -169.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -153.86 177.97 10.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.895 0.855 . . . . 0.0 111.404 -179.509 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.7 155.66 31.7 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -170.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.36 -28.53 8.45 Favored 'Trans proline' 0 N--CA 1.526 3.422 1 C-N-CA 126.223 4.615 . . . . 0.0 114.759 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -118.1 18.52 13.83 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.698 -0.626 . . . . 0.0 112.275 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 45.61 37.4 3.19 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.791 0.805 . . . . 0.0 111.033 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 8.5 pt-20 -97.65 19.95 12.69 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.896 -171.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 11.0 m-85 -137.48 153.37 50.07 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.199 -0.938 . . . . 0.0 111.196 171.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.4 t -87.52 144.08 9.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.856 0.836 . . . . 0.0 110.391 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -96.54 -17.28 20.58 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.929 0.871 . . . . 0.0 112.661 -170.156 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.192 0 CA-C-O 121.917 0.865 . . . . 0.0 111.042 -169.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.407 ' HA ' ' NE2' ' A' ' 5' ' ' GLN . 31.8 m . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.189 0.519 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.523 ' HA ' ' CE1' ' A' ' 22' ' ' TYR . . . -151.92 -163.64 1.79 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.525 -0.734 . . . . 0.0 110.852 -173.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.481 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 1.2 t 62.47 -92.75 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -177.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 11.9 t -173.15 119.98 0.34 Allowed 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.491 -0.756 . . . . 0.0 110.796 174.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 1' ' ' THR . 0.6 OUTLIER -134.97 -108.2 0.22 Allowed 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.696 -0.628 . . . . 0.0 112.375 176.699 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -104.76 -55.1 2.39 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.364 1.078 . . . . 0.0 110.789 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.21 34.93 0.92 Allowed 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.637 -0.665 . . . . 0.0 112.205 170.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.43 100.39 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.48 -0.762 . . . . 0.0 111.177 170.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.411 ' HA ' ' HG3' ' A' ' 34' ' ' GLU . 3.7 m 57.95 61.9 2.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.857 0.836 . . . . 0.0 111.664 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 34' ' ' GLU . 28.1 t 59.0 -90.52 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.353 -0.842 . . . . 0.0 110.697 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.32 36.25 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.508 1.146 . . . . 0.0 110.887 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.503 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 1.3 mt-30 -132.39 10.92 4.49 Favored 'General case' 0 C--O 1.242 0.692 0 O-C-N 121.652 -0.655 . . . . 0.0 112.685 -170.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.05 166.04 35.52 Favored Glycine 0 N--CA 1.462 0.373 0 CA-C-O 122.01 0.783 . . . . 0.0 111.981 -170.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.36 -174.37 2.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 110.872 -172.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 4' ' ' CYS . 3.1 m -121.78 116.32 24.26 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.627 0.727 . . . . 0.0 111.531 -171.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 25' ' ' SER . 0.2 OUTLIER -110.46 79.32 1.19 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.945 0.878 . . . . 0.0 110.829 171.132 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' CA ' ' A' ' 3' ' ' SER . 1.1 mp0 -71.68 137.8 48.1 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.77 1.272 . . . . 0.0 111.743 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.3 p -112.0 -169.72 1.52 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.655 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 20' ' ' GLY . 3.4 mp -16.32 -96.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.059 1.744 . . . . 0.0 113.633 170.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -120.43 52.62 0.72 Allowed Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 170.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.15 -160.98 0.34 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 122.028 -0.69 . . . . 0.0 110.863 173.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CE1' ' HA ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -149.19 169.48 20.63 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 123.454 1.597 . . . . 0.0 113.708 169.368 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -120.53 -166.02 1.27 Allowed 'General case' 0 C--O 1.244 0.776 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.093 168.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.8 m -135.46 151.82 50.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 122.682 1.23 . . . . 0.0 112.329 170.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HD11 ' A' ' 16' ' ' LEU . 61.3 p -112.09 82.61 1.66 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.806 168.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.4 m -51.82 134.41 31.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.942 0.877 . . . . 0.0 111.487 -170.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 12.0 m-30 -56.05 158.06 7.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.869 0.842 . . . . 0.0 110.932 173.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 87.5 Cg_endo -72.01 96.06 0.77 Allowed 'Trans proline' 0 N--CA 1.53 3.63 1 C-N-CA 126.2 4.6 . . . . 0.0 114.743 -178.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.4 -23.59 2.2 Favored Glycine 0 C--N 1.318 -0.423 0 O-C-N 120.989 -1.069 . . . . 0.0 111.365 -169.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 7.5 m-85 -123.79 159.69 28.97 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.611 -0.935 . . . . 0.0 110.641 -171.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -155.98 179.75 8.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.91 0.862 . . . . 0.0 111.331 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.11 156.26 28.04 Favored Glycine 0 C--N 1.319 -0.369 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -170.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -43.98 -32.52 4.65 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.222 4.614 . . . . 0.0 114.975 175.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' ' HA ' ' A' ' 9' ' ' CYS . 29.8 tt0 -117.31 19.07 14.26 Favored 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.882 -0.511 . . . . 0.0 112.074 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m 45.37 35.66 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.314 -0.866 . . . . 0.0 111.146 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.47 -17.17 39.96 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -170.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.89 167.43 10.09 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.42 -0.8 . . . . 0.0 110.763 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 30' ' ' PHE . 48.4 t -124.6 149.69 29.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.89 0.853 . . . . 0.0 111.024 -172.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' C ' ' HG3' ' A' ' 40' ' ' GLU . 91.7 mtt-85 -67.09 -175.59 0.46 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.425 0.631 . . . . 0.0 111.034 177.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' HG3' ' C ' ' A' ' 39' ' ' ARG . 4.5 mt-10 . . . . . 0 C--O 1.274 2.361 0 CA-C-O 121.709 0.766 . . . . 0.0 111.187 -175.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 6.0 p . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 121.258 0.551 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 1' ' ' THR . . . -174.21 -91.13 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.672 0.749 . . . . 0.0 112.164 170.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.4 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 21.0 p -173.83 -153.01 0.05 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.381 0.61 . . . . 0.0 111.155 -168.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 13.9 t -96.88 54.53 1.29 Allowed 'General case' 0 C--O 1.243 0.762 0 CA-C-O 122.373 1.082 . . . . 0.0 113.025 -168.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 7' ' ' MET . 7.2 tt0 -138.95 177.33 7.97 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 120.922 -1.111 . . . . 0.0 110.942 170.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 36.17 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 125.72 1.608 . . . . 0.0 113.387 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 5' ' ' GLN . 2.1 ttm -93.69 46.53 1.19 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.41 90.62 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.837 0.827 . . . . 0.0 112.25 169.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.5 m 41.6 45.91 3.0 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 123.433 0.693 . . . . 0.0 112.35 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m 64.04 32.19 13.05 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.515 -0.74 . . . . 0.0 111.011 171.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.46 47.23 14.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.69 0.757 . . . . 0.0 111.595 -176.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 5.2 tt0 -137.73 20.26 2.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.296 0.569 . . . . 0.0 112.021 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.45 -178.07 46.39 Favored Glycine 0 C--N 1.32 -0.335 0 O-C-N 121.433 -0.792 . . . . 0.0 111.353 -171.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -98.13 172.19 7.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.701 0.762 . . . . 0.0 110.901 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -126.51 107.6 10.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.799 0.809 . . . . 0.0 110.823 -170.116 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.0 mt -102.3 91.23 4.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.51 0.671 . . . . 0.0 111.221 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.4 160.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.456 1.122 . . . . 0.0 111.035 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.607 HG21 HG23 ' A' ' 23' ' ' THR . 21.2 p -159.08 -171.83 3.53 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.68 0.752 . . . . 0.0 110.704 -169.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.84 116.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.891 0.853 . . . . 0.0 111.322 171.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.91 22.39 57.43 Favored Glycine 0 C--O 1.24 0.516 0 O-C-N 121.894 -0.504 . . . . 0.0 112.112 171.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.94 -177.42 0.1 Allowed 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.623 -0.928 . . . . 0.0 111.057 -171.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.4 ' CE2' ' O ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -125.19 -174.92 3.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.822 0.82 . . . . 0.0 110.709 166.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.607 HG23 HG21 ' A' ' 18' ' ' THR . 80.6 p -136.28 -175.25 3.93 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.956 -0.465 . . . . 0.0 110.717 170.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.2 m -131.89 129.43 40.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.35 1.072 . . . . 0.0 112.387 -171.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 p -104.98 81.98 1.8 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.931 0.872 . . . . 0.0 109.607 168.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.0 m -50.52 146.6 5.32 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 112.333 -169.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -62.58 166.17 7.86 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.944 0.878 . . . . 0.0 110.876 170.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -65.13 103.27 0.49 Allowed 'Trans proline' 0 N--CA 1.53 3.654 1 C-N-CA 126.736 4.958 . . . . 0.0 114.469 175.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.12 -18.64 5.0 Favored Glycine 0 C--O 1.241 0.561 0 O-C-N 120.854 -1.154 . . . . 0.0 112.324 -171.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 5.2 m-85 -128.68 164.32 23.19 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.288 -1.125 . . . . 0.0 110.803 -174.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.87 160.98 14.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.115 0.96 . . . . 0.0 111.494 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.62 154.62 13.96 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -171.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -44.93 -32.05 5.99 Favored 'Trans proline' 0 N--CA 1.529 3.617 1 C-N-CA 126.282 4.655 . . . . 0.0 115.012 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -117.76 18.55 14.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.309 0.576 . . . . 0.0 112.045 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.3 m 46.74 39.51 7.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.915 0.865 . . . . 0.0 111.454 -171.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.86 -9.66 48.21 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -102.95 134.83 45.73 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.295 -0.878 . . . . 0.0 110.775 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.94 138.55 32.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.992 0.901 . . . . 0.0 110.991 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -64.47 -172.94 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.732 0.777 . . . . 0.0 110.988 -172.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.27 2.183 0 CA-C-O 121.971 0.891 . . . . 0.0 111.049 173.68 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 121.906 0.86 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.76 ' HB1' ' CE1' ' A' ' 22' ' ' TYR . . . -132.19 108.34 9.2 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.744 -0.598 . . . . 0.0 111.238 -172.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 66.5 m -158.13 111.19 2.4 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.308 0.575 . . . . 0.0 111.7 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m 28.25 80.53 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.985 1.314 . . . . 0.0 113.023 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -100.4 -165.59 1.23 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.002 0.906 . . . . 0.0 110.876 176.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -54.33 22.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.293 1.044 . . . . 0.0 110.375 -176.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.3 mtt -111.86 61.75 0.62 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.164 170.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -31.45 -87.98 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 124.718 1.207 . . . . 0.0 113.354 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.6 67.4 1.28 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.656 0.741 . . . . 0.0 110.544 -174.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 t 61.01 -85.01 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.193 0.521 . . . . 0.0 110.588 -170.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 40.84 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.608 1.194 . . . . 0.0 110.687 169.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -120.23 -18.6 7.96 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.592 -173.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.16 170.5 36.25 Favored Glycine 0 C--N 1.318 -0.426 0 CA-C-O 122.195 0.886 . . . . 0.0 111.677 -176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.0 pm0 -110.38 165.3 11.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.515 1.15 . . . . 0.0 111.736 -170.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 p -81.85 143.84 31.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 123.003 1.383 . . . . 0.0 112.241 -170.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 25' ' ' SER . 3.9 mt -130.42 71.34 1.46 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.463 1.125 . . . . 0.0 109.866 169.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' HB3' ' A' ' 3' ' ' SER . 0.0 OUTLIER -52.68 137.47 31.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.137 1.446 . . . . 0.0 113.176 -167.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -115.67 -170.58 1.81 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.091 0.948 . . . . 0.0 111.502 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mm -69.9 -5.03 4.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.48 24.21 0.24 Allowed Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.71 -0.619 . . . . 0.0 111.624 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.11 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.798 -0.825 . . . . 0.0 110.169 -170.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.76 ' CE1' ' HB1' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -138.69 164.27 29.97 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 122.682 1.229 . . . . 0.0 111.678 167.436 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -117.43 177.95 4.56 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.22 168.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -130.71 131.17 44.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.081 0.943 . . . . 0.0 111.612 -171.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.585 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.0 p -96.77 84.36 3.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.193 0.997 . . . . 0.0 109.946 169.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.4 m -62.37 124.98 22.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.062 0.934 . . . . 0.0 110.988 -170.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -48.32 161.57 0.38 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 122.017 0.913 . . . . 0.0 110.905 171.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.2 110.6 0.81 Allowed 'Trans proline' 0 N--CA 1.529 3.616 1 C-N-CA 126.266 4.644 . . . . 0.0 114.469 -175.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 128.27 -4.64 6.77 Favored Glycine 0 C--O 1.241 0.593 0 O-C-N 120.925 -1.109 . . . . 0.0 112.379 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -132.91 169.08 17.29 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 121.219 -1.165 . . . . 0.0 111.051 -172.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.434 ' CE1' ' HB3' ' A' ' 37' ' ' TYR . 6.7 p90 -166.75 177.55 6.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.066 0.936 . . . . 0.0 111.337 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.99 151.12 27.56 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -170.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -44.08 -44.37 12.4 Favored 'Trans proline' 0 N--CA 1.528 3.507 1 C-N-CA 126.276 4.651 . . . . 0.0 114.912 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -99.95 20.31 14.59 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.809 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.3 m 44.11 31.61 0.56 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.256 -0.903 . . . . 0.0 110.418 -168.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.26 17.33 6.15 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.046 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 20.1 m-85 -131.4 116.58 17.72 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.292 -0.88 . . . . 0.0 110.805 170.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -94.6 153.57 3.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.523 0.678 . . . . 0.0 110.713 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.515 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 3.6 mtp-105 -66.61 -139.62 0.0 OUTLIER 'General case' 0 C--O 1.245 0.82 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.993 170.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--O 1.27 2.153 0 O-C-N 121.128 -0.982 . . . . 0.0 111.249 170.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 CA--C 1.513 -0.454 0 CA-C-O 121.416 0.627 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.27 -93.87 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 170.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 p -132.33 -156.36 0.75 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.375 1.083 . . . . 0.0 111.726 -166.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.6 t -79.48 146.29 32.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.193 1.473 . . . . 0.0 114.128 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.95 -178.86 5.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.285 1.04 . . . . 0.0 109.961 167.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 -170.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.478 ' HB3' ' CG ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -124.95 53.43 1.49 Allowed 'General case' 0 C--O 1.243 0.751 0 CA-C-O 121.389 0.614 . . . . 0.0 112.358 -175.466 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -63.73 143.39 57.88 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.188 0.994 . . . . 0.0 111.103 169.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' SER . 27.6 m 89.93 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 125.416 1.487 . . . . 0.0 112.515 169.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 1.1 m 144.29 11.25 0.0 OUTLIER 'General case' 0 C--O 1.25 1.081 0 C-N-CA 125.196 1.398 . . . . 0.0 114.593 -167.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 28.5 mttt 73.26 12.67 4.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.361 1.437 . . . . 0.0 111.636 175.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -135.34 32.9 3.08 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.366 -0.834 . . . . 0.0 110.668 168.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.27 147.63 10.47 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-O 122.23 0.906 . . . . 0.0 111.283 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -166.63 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.412 1.101 . . . . 0.0 111.55 -170.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 123.46 49.13 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.459 0.704 . . . . 0.0 111.076 -170.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 25' ' ' SER . 0.6 OUTLIER -99.82 107.21 19.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.947 0.88 . . . . 0.0 111.835 170.384 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 108.91 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 122.4 1.095 . . . . 0.0 111.478 -167.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.9 p -95.06 -174.19 3.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.761 0.791 . . . . 0.0 111.225 172.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 mm -73.07 107.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.777 0.799 . . . . 0.0 111.092 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.66 30.23 68.79 Favored Glycine 0 C--N 1.32 -0.336 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 177.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.53 175.06 0.25 Allowed 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.978 -0.719 . . . . 0.0 110.996 171.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -141.61 -177.79 5.34 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.125 0.964 . . . . 0.0 112.928 170.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -134.9 -163.77 1.42 Allowed 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.666 -0.646 . . . . 0.0 111.007 171.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.11 132.44 56.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.486 1.136 . . . . 0.0 111.847 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.516 ' HB3' HD23 ' A' ' 16' ' ' LEU . 87.4 p -110.13 84.94 2.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.873 0.844 . . . . 0.0 110.476 170.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -53.45 144.25 17.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.796 0.808 . . . . 0.0 111.397 -170.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -71.8 164.38 58.82 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 122.153 0.977 . . . . 0.0 111.136 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -61.14 97.01 0.12 Allowed 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.549 4.832 . . . . 0.0 114.363 174.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.85 -7.94 5.19 Favored Glycine 0 N--CA 1.463 0.488 0 O-C-N 120.998 -1.064 . . . . 0.0 112.982 -171.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 2.6 m-85 -138.15 140.41 39.85 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.503 -0.998 . . . . 0.0 111.312 -167.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -150.17 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.794 1.283 . . . . 0.0 112.486 -178.711 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 148.25 18.35 Favored Glycine 0 N--CA 1.462 0.377 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -168.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -42.47 -31.78 2.01 Favored 'Trans proline' 0 N--CA 1.529 3.576 1 C-N-CA 126.228 4.619 . . . . 0.0 115.01 -176.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.57 20.94 12.28 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.637 -0.664 . . . . 0.0 111.496 -177.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.24 45.78 13.11 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.071 0.939 . . . . 0.0 110.258 -169.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 2.9 pt-20 -97.01 5.61 50.12 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.325 -172.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.488 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 12.2 m-85 -131.94 156.14 46.7 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.196 -0.94 . . . . 0.0 111.43 170.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.01 140.42 17.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.49 0.662 . . . . 0.0 109.705 169.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.506 ' HA ' ' CZ ' ' A' ' 31' ' ' TYR . 1.7 ptt85 -86.78 -5.09 59.22 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -168.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.274 2.382 0 O-C-N 121.208 -0.932 . . . . 0.0 111.723 -171.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.479 0 CA-C-O 121.809 0.814 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.447 ' CB ' ' CG ' ' A' ' 17' ' ' GLU . . . -78.68 -73.38 0.33 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.365 0.602 . . . . 0.0 110.522 170.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.609 ' HB3' ' CD1' ' A' ' 22' ' ' TYR . 38.3 t -178.75 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.301 0.572 . . . . 0.0 111.739 175.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -47.99 134.77 13.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 122.737 1.256 . . . . 0.0 111.382 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -133.58 156.95 46.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.58 170.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -17.58 0.73 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.408 0.623 . . . . 0.0 112.413 -171.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.86 -67.71 0.65 Allowed 'General case' 0 C--O 1.254 1.313 0 CA-C-O 121.32 0.581 . . . . 0.0 111.971 168.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 85.67 -157.03 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.816 0 O-C-N 119.996 -1.69 . . . . 0.0 110.05 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.78 78.83 7.52 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 121.509 -0.744 . . . . 0.0 112.491 -169.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m 52.71 30.11 8.37 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.55 -0.719 . . . . 0.0 112.057 -171.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt 49.23 34.84 6.57 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.615 1.198 . . . . 0.0 110.854 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 2.0 tt0 -133.98 25.71 3.93 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.727 0.775 . . . . 0.0 110.825 -171.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.43 157.86 14.23 Favored Glycine 0 C--N 1.32 -0.354 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -98.08 138.59 35.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.855 0.836 . . . . 0.0 111.033 -171.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 134.91 53.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.963 0.887 . . . . 0.0 110.752 171.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 16' ' ' LEU . 5.4 mt -113.92 83.81 1.93 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.383 1.087 . . . . 0.0 110.36 170.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' CG ' ' CB ' ' A' ' 2' ' ' ALA . 6.2 tt0 -74.63 104.95 5.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.545 1.164 . . . . 0.0 111.169 -170.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 p -98.58 -169.88 1.86 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.41 1.1 . . . . 0.0 111.713 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.43 115.85 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.948 0.88 . . . . 0.0 111.069 171.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.96 28.23 60.57 Favored Glycine 0 N--CA 1.462 0.399 0 O-C-N 121.872 -0.518 . . . . 0.0 112.783 172.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 170.98 172.74 0.07 Allowed 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.985 -0.715 . . . . 0.0 110.775 170.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CD1' ' HB3' ' A' ' 3' ' ' SER . 0.0 OUTLIER -127.2 -171.85 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.873 1.32 . . . . 0.0 112.613 170.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.3 p -135.44 -168.62 2.23 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.405 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.7 m -127.92 124.05 36.42 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.389 -0.819 . . . . 0.0 110.585 170.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -96.62 74.59 2.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.838 0.828 . . . . 0.0 110.662 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -54.0 137.77 38.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.675 0.75 . . . . 0.0 111.231 -170.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 23.9 m-85 -46.11 158.9 0.35 Allowed Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.367 0.603 . . . . 0.0 110.051 170.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 10.2 Cg_endo -86.02 48.7 2.11 Favored 'Trans proline' 0 N--CA 1.533 3.813 1 C-N-CA 126.153 4.569 . . . . 0.0 117.097 -172.591 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.37 22.15 0.22 Allowed Glycine 0 N--CA 1.465 0.57 0 O-C-N 121.123 -0.986 . . . . 0.0 111.598 166.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CE1' HG13 ' A' ' 38' ' ' VAL . 13.9 m-85 -138.54 168.95 18.67 Favored 'General case' 0 C--O 1.244 0.791 0 O-C-N 121.67 -0.9 . . . . 0.0 111.271 -171.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 39' ' ' ARG . 1.7 p90 -163.14 169.68 18.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.412 1.101 . . . . 0.0 112.552 -173.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.99 152.48 26.71 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -170.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -40.66 -26.69 0.25 Allowed 'Trans proline' 0 N--CA 1.53 3.645 1 C-N-CA 126.509 4.806 . . . . 0.0 115.629 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -125.19 21.63 8.0 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.487 -0.758 . . . . 0.0 111.851 -176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.28 46.23 13.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.001 0.905 . . . . 0.0 110.434 -170.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' CD ' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -96.07 -18.51 20.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 -172.721 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' CE2' ' CD ' ' A' ' 36' ' ' GLU . 97.9 m-85 -102.12 118.81 37.68 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.775 0.798 . . . . 0.0 110.478 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.677 HG13 ' CE1' ' A' ' 30' ' ' PHE . 2.8 t -86.67 148.83 4.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.504 171.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -66.26 -9.37 31.81 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 170.313 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.18 0 CA-C-O 122.105 0.955 . . . . 0.0 111.074 -173.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 121.657 0.741 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.25 -96.94 0.05 OUTLIER 'General case' 0 C--O 1.246 0.87 0 C-N-CA 123.013 0.525 . . . . 0.0 112.303 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.438 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 16.7 p -167.62 116.01 0.78 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.147 0.975 . . . . 0.0 112.935 -169.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 85.49 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 124.941 1.296 . . . . 0.0 112.413 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.67 -159.34 0.73 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.331 170.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -55.76 -56.09 24.65 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.259 1.028 . . . . 0.0 110.823 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 ptp -83.8 12.38 6.11 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -172.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 16.82 -92.48 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.381 1.472 . . . . 0.0 113.651 -168.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -124.21 63.43 1.08 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.972 0.891 . . . . 0.0 110.935 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m 59.64 29.72 19.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.364 -0.835 . . . . 0.0 111.571 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.2 mttt 57.17 33.86 23.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.701 0.763 . . . . 0.0 110.95 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.462 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 1.3 tt0 -134.53 -0.17 2.95 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -172.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.02 169.26 42.37 Favored Glycine 0 C--O 1.239 0.422 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -171.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.91 179.34 4.83 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.546 -0.973 . . . . 0.0 111.156 -170.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.4 t -110.52 114.47 27.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.657 0.741 . . . . 0.0 111.557 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 25' ' ' SER . 6.6 mt -98.65 75.26 2.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.889 0.852 . . . . 0.0 110.726 170.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 3' ' ' SER . 8.8 tm-20 -69.25 148.98 49.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.108 0.956 . . . . 0.0 111.233 -170.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -144.13 179.8 6.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.234 -170.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 20' ' ' GLY . 49.1 mm -9.36 -101.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 114.077 170.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 19' ' ' ILE . . . -114.2 34.01 5.15 Favored Glycine 0 C--N 1.317 -0.525 0 O-C-N 121.676 -0.64 . . . . 0.0 111.924 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -169.46 2.25 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.777 -0.837 . . . . 0.0 111.017 170.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.438 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 2.2 p90 -136.35 170.54 15.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.073 0.939 . . . . 0.0 110.998 168.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -137.13 -176.11 4.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.759 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.6 m -125.29 141.95 51.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.226 1.012 . . . . 0.0 111.937 -173.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB3' HD11 ' A' ' 16' ' ' LEU . 59.8 p -104.9 82.57 1.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.033 0.92 . . . . 0.0 109.702 168.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.13 127.9 34.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.08 0.943 . . . . 0.0 111.88 -169.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 11.2 m-30 -49.74 156.12 1.29 Allowed Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 121.874 0.845 . . . . 0.0 110.756 170.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 55.7 Cg_endo -62.28 108.95 0.75 Allowed 'Trans proline' 0 N--CA 1.531 3.693 1 C-N-CA 126.479 4.786 . . . . 0.0 114.639 -174.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.69 -4.46 8.61 Favored Glycine 0 C--O 1.243 0.693 0 O-C-N 120.841 -1.162 . . . . 0.0 112.368 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' CE2' ' HG2' ' A' ' 12' ' ' GLN . 20.1 m-85 -129.82 164.01 25.03 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.14 -1.212 . . . . 0.0 110.893 -177.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -156.61 176.44 12.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.331 1.062 . . . . 0.0 112.216 -176.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.04 151.24 27.02 Favored Glycine 0 N--CA 1.46 0.3 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -170.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -44.39 -36.37 9.46 Favored 'Trans proline' 0 N--CA 1.528 3.518 1 C-N-CA 126.263 4.642 . . . . 0.0 114.961 175.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -108.86 18.58 20.58 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.142 0.496 . . . . 0.0 111.865 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 m 45.17 36.97 2.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.913 0.863 . . . . 0.0 110.789 -170.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.39 0.91 43.98 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -173.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -122.65 139.52 53.85 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.305 -0.872 . . . . 0.0 110.845 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.685 HG12 ' H ' ' A' ' 40' ' ' GLU . 43.1 t -111.98 152.25 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.814 0.816 . . . . 0.0 110.823 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -70.53 -4.48 23.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.685 ' H ' HG12 ' A' ' 38' ' ' VAL . 3.7 mm-40 . . . . . 0 C--O 1.271 2.212 0 CA-C-O 121.841 0.829 . . . . 0.0 111.827 170.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 52.8 m . . . . . 0 CA--C 1.511 -0.525 0 CA-C-O 121.659 0.742 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.53 -173.95 3.53 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.703 0.763 . . . . 0.0 111.187 170.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.483 ' HA ' ' HB3' ' A' ' 22' ' ' TYR . 8.9 p -152.66 -110.35 0.04 OUTLIER 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.219 171.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.29 109.46 12.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.252 1.025 . . . . 0.0 111.077 -169.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -130.21 -176.81 4.07 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.146 0.974 . . . . 0.0 110.259 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -25.69 47.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.933 -169.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -71.98 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.274 0.559 . . . . 0.0 111.7 167.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 t 63.94 -102.83 0.1 Allowed 'General case' 0 C--N 1.318 -0.789 0 O-C-N 120.132 -1.605 . . . . 0.0 110.437 -172.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.8 m -115.81 57.64 0.75 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.047 0.927 . . . . 0.0 110.978 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.31 30.14 1.43 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.253 -0.904 . . . . 0.0 111.435 -170.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 53.73 48.91 20.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.788 0.804 . . . . 0.0 111.169 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -137.63 14.11 2.95 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.203 171.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.81 172.19 45.08 Favored Glycine 0 C--N 1.32 -0.344 0 CA-C-O 122.088 0.827 . . . . 0.0 111.816 -170.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.1 138.19 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.009 0.909 . . . . 0.0 111.298 -171.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.2 t -76.39 128.15 34.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.628 0.728 . . . . 0.0 111.447 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 25' ' ' SER . 6.8 mt -118.3 73.74 0.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.051 0.929 . . . . 0.0 110.518 171.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 22' ' ' TYR . 4.1 tm-20 -45.88 133.79 8.29 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.351 0.66 . . . . 0.0 111.864 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 p -117.8 -166.5 1.21 Allowed 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 121.51 -0.744 . . . . 0.0 110.88 170.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.6 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -169.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.73 20.24 0.17 Allowed Glycine 0 N--CA 1.464 0.555 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.942 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 173.34 118.21 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.648 -0.913 . . . . 0.0 110.983 -172.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.491 ' CB ' ' HA ' ' A' ' 17' ' ' GLU . 10.4 p90 -81.06 168.39 18.69 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 122.61 1.195 . . . . 0.0 111.87 -175.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -138.21 143.17 40.05 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.855 -176.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.2 m -96.31 135.49 38.07 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.424 1.107 . . . . 0.0 112.115 -168.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.631 ' HB3' HD11 ' A' ' 16' ' ' LEU . 7.9 p -103.84 81.9 1.93 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.829 0.823 . . . . 0.0 110.365 169.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.88 136.27 40.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.249 1.023 . . . . 0.0 111.863 -170.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -67.61 162.88 53.33 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.843 0.83 . . . . 0.0 110.947 170.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -54.92 125.12 18.07 Favored 'Trans proline' 0 N--CA 1.533 3.809 1 C-N-CA 126.286 4.657 . . . . 0.0 114.535 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.87 8.4 39.63 Favored Glycine 0 C--O 1.24 0.53 0 O-C-N 120.702 -1.249 . . . . 0.0 112.041 174.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -138.91 155.23 48.22 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.507 -0.996 . . . . 0.0 111.153 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' A' ' 39' ' ' ARG . 2.1 p90 -155.78 175.51 13.83 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.301 1.048 . . . . 0.0 111.714 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.98 161.14 28.59 Favored Glycine 0 C--N 1.321 -0.286 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 -170.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.69 -2.19 4.99 Favored 'Trans proline' 0 N--CA 1.529 3.582 1 C-N-CA 126.053 4.502 . . . . 0.0 116.235 -176.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -140.12 21.82 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.19 -0.944 . . . . 0.0 111.196 170.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 47.26 52.91 11.52 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.303 -0.873 . . . . 0.0 110.715 -170.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -92.98 -31.59 14.84 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.407 0.623 . . . . 0.0 111.568 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 40.2 m-85 -104.86 139.7 39.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.754 0.788 . . . . 0.0 110.784 -171.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -112.05 145.48 18.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.769 0.795 . . . . 0.0 111.299 -171.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -81.12 167.16 20.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.664 0.745 . . . . 0.0 111.268 171.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.27 2.157 0 CA-C-O 122.282 1.039 . . . . 0.0 111.333 172.082 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 121.325 0.583 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' THR . . . -179.91 -34.44 0.01 OUTLIER 'General case' 0 C--O 1.251 1.151 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -171.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.599 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -178.53 -75.41 0.01 OUTLIER 'General case' 0 C--O 1.248 1.006 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.525 -170.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 44.9 t -159.99 131.14 5.84 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 120.662 -1.274 . . . . 0.0 112.235 178.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.93 -169.49 1.53 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.856 0.836 . . . . 0.0 110.673 170.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.09 -51.18 70.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.102 0.953 . . . . 0.0 110.506 -170.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.492 ' HG2' ' CD ' ' A' ' 11' ' ' LYS . 29.3 mtt -116.81 48.23 1.33 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.027 -174.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.44 123.09 4.54 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.207 1.004 . . . . 0.0 112.265 170.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.6 m 67.06 48.59 1.21 Allowed 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 168.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 74.3 8.33 4.57 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.24 -0.913 . . . . 0.0 112.439 170.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' CD ' ' HG2' ' A' ' 7' ' ' MET . 22.2 mtmt 60.06 40.6 18.37 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.126 -0.984 . . . . 0.0 110.914 -170.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -137.75 20.83 2.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.589 0.709 . . . . 0.0 110.944 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.74 163.21 28.13 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -170.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -100.37 -173.39 2.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.234 1.016 . . . . 0.0 111.493 -170.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -114.96 124.23 51.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.427 0.632 . . . . 0.0 110.778 -174.554 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.33 115.76 30.74 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.779 -0.576 . . . . 0.0 111.393 169.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.599 ' HG2' ' CB ' ' A' ' 3' ' ' SER . 12.1 mp0 -102.98 134.48 46.36 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.836 1.303 . . . . 0.0 110.42 -169.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 p -134.19 -170.18 2.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.951 1.358 . . . . 0.0 112.399 -166.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -69.42 0.1 1.24 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -167.478 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.75 32.4 0.09 OUTLIER Glycine 0 N--CA 1.463 0.438 0 O-C-N 121.5 -0.75 . . . . 0.0 112.266 171.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.84 178.47 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.834 0.826 . . . . 0.0 110.648 -175.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.491 ' HB3' ' HA ' ' A' ' 3' ' ' SER . 1.4 p90 -123.77 167.77 13.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 123.084 1.421 . . . . 0.0 113.439 169.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.0 p -117.67 -166.1 1.16 Allowed 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.709 167.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.2 m -114.72 148.21 38.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.422 1.106 . . . . 0.0 111.972 170.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.0 p -115.58 83.75 1.98 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.943 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -49.28 142.52 7.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.874 0.845 . . . . 0.0 111.899 -169.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 6.7 m-30 -62.65 157.42 58.05 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 121.547 0.689 . . . . 0.0 110.464 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 26.8 Cg_endo -57.45 102.27 0.12 Allowed 'Trans proline' 0 N--CA 1.531 3.69 1 C-N-CA 126.486 4.791 . . . . 0.0 114.795 -174.225 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.77 15.43 9.37 Favored Glycine 0 C--O 1.242 0.609 0 O-C-N 120.8 -1.187 . . . . 0.0 111.631 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -138.82 149.81 45.34 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.411 -1.052 . . . . 0.0 111.244 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -162.41 156.22 20.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.206 1.003 . . . . 0.0 111.62 -173.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.63 160.32 13.8 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -170.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -42.96 -31.23 2.16 Favored 'Trans proline' 0 N--CA 1.528 3.523 1 C-N-CA 126.309 4.673 . . . . 0.0 115.118 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -127.54 21.44 6.56 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 121.759 -0.588 . . . . 0.0 111.821 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 34.3 m 56.09 40.54 30.19 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.425 -0.797 . . . . 0.0 110.984 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 4.5 pt-20 -91.78 -24.81 19.3 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.749 -0.594 . . . . 0.0 112.055 -170.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 48.9 m-85 -98.42 158.37 15.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.661 0.743 . . . . 0.0 110.981 174.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.4 t -125.48 142.77 41.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.011 0.91 . . . . 0.0 111.069 -171.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HG2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -117.72 -174.03 2.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.754 0.787 . . . . 0.0 111.086 172.761 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.27 2.17 0 CA-C-O 122.034 0.921 . . . . 0.0 111.011 171.087 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 121.702 0.763 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.53 -92.02 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.493 0.664 . . . . 0.0 111.6 174.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -119.03 122.53 42.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.475 1.131 . . . . 0.0 111.159 -169.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 1.8 p -26.7 131.89 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 125.463 1.505 . . . . 0.0 113.22 169.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -137.62 -93.8 0.21 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.358 0.599 . . . . 0.0 112.31 175.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.04 -39.05 7.91 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.389 -0.819 . . . . 0.0 110.845 -170.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 ttm -120.32 53.02 1.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.65 0.738 . . . . 0.0 111.49 170.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -42.96 103.06 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.683 0.754 . . . . 0.0 111.774 169.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m 51.43 50.29 19.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.717 0.77 . . . . 0.0 111.256 173.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m 67.45 23.86 8.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.224 0.535 . . . . 0.0 111.589 171.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 45.74 45.91 11.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.82 0.819 . . . . 0.0 110.986 -171.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -136.85 20.27 3.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.252 0.549 . . . . 0.0 111.812 -170.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.72 162.68 28.65 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-O 122.163 0.868 . . . . 0.0 111.653 -170.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.46 126.37 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.81 0.815 . . . . 0.0 111.247 -171.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.84 129.14 38.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 111.466 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -117.15 75.19 0.96 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.183 0.992 . . . . 0.0 110.58 170.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 127.94 34.91 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.553 1.168 . . . . 0.0 111.379 -170.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 p -104.62 -173.88 2.41 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.997 0.919 . . . . 0.0 110.767 171.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.02 115.94 8.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.72 0.771 . . . . 0.0 110.748 171.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.04 31.08 78.32 Favored Glycine 0 C--O 1.239 0.427 0 O-C-N 121.968 -0.458 . . . . 0.0 112.251 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 173.85 -179.21 0.09 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.844 -0.798 . . . . 0.0 110.968 170.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.21 178.32 7.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.86 1.314 . . . . 0.0 112.763 169.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -138.13 138.3 38.53 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.037 170.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 m -97.82 126.43 43.18 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.858 0.837 . . . . 0.0 111.146 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.9 p -96.92 81.7 3.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.885 0.85 . . . . 0.0 110.654 170.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -54.49 139.68 36.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.261 1.029 . . . . 0.0 111.409 -170.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.412 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 24.2 m-85 -53.01 156.4 3.56 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 122.007 0.908 . . . . 0.0 111.185 171.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 27' ' ' TYR . 72.5 Cg_endo -66.84 111.38 2.16 Favored 'Trans proline' 0 N--CA 1.531 3.711 1 C-N-CA 126.533 4.822 . . . . 0.0 114.565 -178.186 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.16 -12.02 8.1 Favored Glycine 0 C--O 1.242 0.617 0 O-C-N 120.705 -1.247 . . . . 0.0 112.588 -170.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -131.18 153.28 49.6 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.264 -1.139 . . . . 0.0 110.877 -170.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.57 172.43 17.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.232 1.015 . . . . 0.0 111.469 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.81 159.87 26.66 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -170.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.97 -24.5 2.26 Favored 'Trans proline' 0 N--CA 1.528 3.549 1 C-N-CA 126.33 4.687 . . . . 0.0 115.168 -177.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.78 20.12 4.62 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.494 -0.753 . . . . 0.0 111.608 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 45.72 48.72 11.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.223 1.011 . . . . 0.0 110.473 -169.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 5.3 pt-20 -98.38 -26.78 14.36 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.535 -171.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 10.9 m-85 -106.91 148.84 28.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.816 0.817 . . . . 0.0 110.7 -177.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -108.99 145.85 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.447 0.642 . . . . 0.0 110.734 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -70.94 -126.65 0.0 OUTLIER 'General case' 0 C--O 1.245 0.849 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.473 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.269 2.095 0 O-C-N 121.085 -1.009 . . . . 0.0 111.861 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.487 0.661 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.445 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . . . -62.14 -71.99 0.14 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.803 0.811 . . . . 0.0 111.141 171.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.58 ' CB ' ' CG ' ' A' ' 22' ' ' TYR . 20.7 m -167.05 -58.97 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.562 0.696 . . . . 0.0 112.847 -168.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 32.5 t -49.56 100.79 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.44 1.114 . . . . 0.0 112.257 -169.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -166.63 1.27 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.184 170.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -48.78 -65.85 0.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.317 1.056 . . . . 0.0 111.891 -170.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.8 41.51 1.11 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 123.032 1.396 . . . . 0.0 111.105 -172.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -40.28 118.22 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.177 -0.952 . . . . 0.0 113.048 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 m 50.93 45.84 27.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.719 0.771 . . . . 0.0 111.486 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.36 36.62 20.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.321 0.581 . . . . 0.0 111.678 170.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt 51.56 27.14 3.69 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.875 0.845 . . . . 0.0 111.322 173.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -129.79 28.17 5.13 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.549 0.69 . . . . 0.0 111.325 -170.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.87 158.05 13.15 Favored Glycine 0 N--CA 1.462 0.41 0 CA-C-O 121.873 0.707 . . . . 0.0 111.48 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -98.77 132.33 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.669 0.747 . . . . 0.0 111.252 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 18.3 p -70.28 119.55 14.63 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 122.363 1.077 . . . . 0.0 111.68 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 25' ' ' SER . 4.9 mt -102.71 77.3 1.58 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.658 1.218 . . . . 0.0 110.115 170.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 2' ' ' ALA . 7.2 tm-20 -67.82 156.77 36.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.613 1.197 . . . . 0.0 112.916 -168.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 p -146.33 -176.82 5.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.875 0.845 . . . . 0.0 110.841 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 19' ' ' ILE . 27.5 mm -77.84 9.26 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.941 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.75 20.8 0.11 Allowed Glycine 0 N--CA 1.463 0.496 0 O-C-N 121.445 -0.784 . . . . 0.0 112.423 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 164.43 -179.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.671 -0.9 . . . . 0.0 110.663 -170.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CG ' ' CB ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -127.87 178.34 6.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 123.425 1.583 . . . . 0.0 113.051 169.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -137.95 135.94 36.51 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.832 169.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.3 m -98.49 128.2 44.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.169 0.985 . . . . 0.0 111.192 -171.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.402 ' HB3' HD11 ' A' ' 16' ' ' LEU . 6.4 p -96.74 84.01 3.54 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.714 0.768 . . . . 0.0 110.966 173.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.5 m -57.9 124.42 19.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.958 0.885 . . . . 0.0 110.948 -174.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -51.28 159.41 1.11 Allowed Pre-proline 0 CA--C 1.51 -0.559 0 CA-C-O 121.707 0.765 . . . . 0.0 110.74 170.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.72 120.61 8.06 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.128 4.552 . . . . 0.0 114.436 -174.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.486 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . 106.73 -2.0 36.26 Favored Glycine 0 C--O 1.24 0.521 0 O-C-N 120.729 -1.232 . . . . 0.0 111.773 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -115.11 161.07 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.469 -1.018 . . . . 0.0 110.645 170.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -155.56 175.87 13.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.356 1.074 . . . . 0.0 111.942 -178.591 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.52 150.5 25.39 Favored Glycine 0 N--CA 1.462 0.391 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -170.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.18 -29.29 1.07 Allowed 'Trans proline' 0 N--CA 1.53 3.619 1 C-N-CA 126.255 4.637 . . . . 0.0 115.177 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -126.31 22.35 7.15 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.615 -0.678 . . . . 0.0 111.848 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.012 0.91 . . . . 0.0 110.617 -170.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.47 17.21 24.56 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 66.7 m-85 -138.39 140.25 39.29 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.351 -0.843 . . . . 0.0 111.227 171.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -101.15 136.15 34.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 0.0 110.794 176.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 54.8 mtp85 -50.12 132.4 23.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.683 0.754 . . . . 0.0 111.115 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 . . . . . 0 C--O 1.27 2.153 0 CA-C-O 121.99 0.9 . . . . 0.0 111.072 176.352 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.424 HG23 ' CD ' ' A' ' 5' ' ' GLN . 1.9 m . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 121.556 0.693 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.81 -96.26 0.03 OUTLIER 'General case' 0 C--O 1.243 0.715 0 C-N-CA 123.325 0.65 . . . . 0.0 112.075 171.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.534 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 83.5 p -138.25 123.68 19.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.61 1.195 . . . . 0.0 113.581 -167.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 35.31 89.54 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.135 1.774 . . . . 0.0 114.025 168.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' CD ' HG23 ' A' ' 1' ' ' THR . 7.4 pt20 -127.16 -154.12 0.61 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.681 -0.637 . . . . 0.0 109.838 168.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -69.43 0.13 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.387 1.089 . . . . 0.0 111.928 -171.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 ttp -92.11 48.63 1.44 Allowed 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.311 -0.868 . . . . 0.0 112.16 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.12 108.87 0.85 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.049 0.928 . . . . 0.0 110.638 170.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.39 42.9 31.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 111.589 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.09 29.78 6.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.67 0.748 . . . . 0.0 111.096 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt 43.58 42.6 4.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.587 0.708 . . . . 0.0 111.396 -171.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -135.42 16.17 3.42 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.37 166.2 38.91 Favored Glycine 0 N--CA 1.463 0.437 0 O-C-N 121.479 -0.763 . . . . 0.0 111.259 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -98.34 139.11 34.59 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.633 -0.922 . . . . 0.0 111.799 -170.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 128.86 33.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.018 0.913 . . . . 0.0 111.293 -176.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD12 ' OG1' ' A' ' 23' ' ' THR . 0.1 OUTLIER -115.15 75.4 0.93 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.938 0.875 . . . . 0.0 110.428 169.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HG3' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -66.56 153.88 41.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.675 1.226 . . . . 0.0 112.36 -169.166 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.0 p -143.89 -176.12 4.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.685 -170.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.53 108.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.855 0.836 . . . . 0.0 110.721 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.84 32.55 82.25 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 173.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -177.08 176.55 1.38 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.56 1.171 . . . . 0.0 111.301 172.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.15 157.53 44.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.299 1.047 . . . . 0.0 111.28 170.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.458 ' OG1' HD12 ' A' ' 16' ' ' LEU . 49.1 p -118.97 170.64 8.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.735 170.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 m -118.3 140.72 49.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.659 1.219 . . . . 0.0 112.416 174.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.3 p -103.84 78.19 1.53 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.48 167.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.25 133.68 28.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.55 0.69 . . . . 0.0 111.379 -169.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -52.96 163.42 0.85 Allowed Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.807 0.813 . . . . 0.0 110.762 -177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.05 104.68 0.6 Allowed 'Trans proline' 0 N--CA 1.53 3.647 1 C-N-CA 126.615 4.877 . . . . 0.0 114.484 174.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.66 -15.75 6.63 Favored Glycine 0 C--O 1.242 0.607 0 O-C-N 120.884 -1.135 . . . . 0.0 112.449 -172.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 4.7 m-85 -126.01 163.68 22.5 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.246 -1.149 . . . . 0.0 110.748 -175.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.95 177.62 6.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.868 0.842 . . . . 0.0 111.27 -174.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.45 162.11 37.62 Favored Glycine 0 C--N 1.321 -0.285 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -171.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -42.88 -57.66 1.63 Allowed 'Trans proline' 0 N--CA 1.528 3.512 1 C-N-CA 126.481 4.787 . . . . 0.0 114.989 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -99.77 22.34 11.18 Favored 'General case' 0 C--O 1.242 0.675 0 O-C-N 121.663 -0.648 . . . . 0.0 111.338 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 54.07 48.92 19.98 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.217 -0.927 . . . . 0.0 110.521 -170.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -83.48 -21.8 32.72 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.247 -177.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.26 145.18 27.55 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.634 -175.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -118.67 138.32 49.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 172.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -71.72 -118.92 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.124 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.271 2.195 0 CA-C-O 121.909 0.861 . . . . 0.0 110.725 170.682 . . . . . . . . 1 1 . 1 stop_ save_